*HEADER    BIOSYNTHETIC PROTEIN                    15-OCT-14   2MVV              
*TITLE     SOLUTION STRUCTURE OF THE 5-PHENYL-3-OXO-PENTYL ACTINORHODIN ACYL     
*TITLE    2 CARRIER 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: SCO5089, SCBAC28G1.15;                                         
*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, POLYKETIDE MIMIC, LIGAND RECOGNITION, BIOSYNTHETIC 
*KEYWDS   2 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 2MVV    0                                                


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

! Talos derived phi restraint:
assign (resid   1 and name C)
       (resid   2 and name N)
       (resid   2 and name CA)
       (resid   2 and name C)
       1.0 -108  57 2

! 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 -74  21 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 -86  20 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 -63  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 -64  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 -59  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 -63  20 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -62  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 -60  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 -76  20 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  21 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 -96  27 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 -83  43 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 -61  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 -89  32 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 -61  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 -62  20 2

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

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -65  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 -67  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 -62  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 -62  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 -64  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 -66  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 -90  27 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 -121  27 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 -120  30 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 -100  20 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 -57  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 -54  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 -75  22 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 -64  20 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 -112  25 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 -123  37 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 -57  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 -58  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 -59  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 -61  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 -60  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 -60  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 -62  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 -65  20 2

! Talos derived psi restraint:
assign (resid   2 and name N)
       (resid   2 and name CA)
       (resid   2 and name C)
       (resid   3 and name N)
       1.0 128  40 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)
       1.0 144  22 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 -33  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 -39  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 -42  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 -40  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 -42  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 -41  20 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -29  29 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 -31  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   0  29 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)
       1.0 159  20 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 -46  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 -40  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 -12  30 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 -40  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 -40  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 -41  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 -41  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 -42  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  -6  27 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)
       1.0 148  36 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  30 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)
       1.0 131  31 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 -32  32 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 -15  34 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 -36  20 2

! Talos derived psi restraint:
assign (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       (resid  69 and name N)
       1.0 146  40 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)
       1.0 151  60 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 -45  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 -37  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 -37  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 -40  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 -35  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 -43  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 -42  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  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 -41  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 -27  34 2

 ASSI {   41}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.14351E-02 ppm1      7.703 ppm2      4.360 CV     1
 OR {   41}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {   43}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.300     1.300 peak    43 spectrum    1 weight  0.10000E+01 volume  0.10821E-02 ppm1      7.705 ppm2      3.074 CV     1
 OR {   43}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  185}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.600     0.900     0.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.31711E-02 ppm1      8.032 ppm2      2.848 CV     1
 OR {  185}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  187}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.300     1.400     1.400 peak   187 spectrum    1 weight  0.10000E+01 volume  0.18198E-02 ppm1      8.049 ppm2      3.307 CV     1
 ASSI {  191}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.500     1.500 peak   191 spectrum    1 weight  0.10000E+01 volume  0.17027E-02 ppm1      7.982 ppm2      4.358 CV     1
 OR {  191}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 OR {  191}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI {  192}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      2.800     1.000     1.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.43362E-02 ppm1      7.964 ppm2      4.279 CV     1
 OR {  192}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  194}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.300     1.400     1.400 peak   194 spectrum    1 weight  0.10000E+01 volume  0.18924E-02 ppm1      7.967 ppm2      4.215 CV     1
 ASSI {  211}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.300     1.400     1.400 peak   211 spectrum    1 weight  0.10000E+01 volume  0.12081E-02 ppm1      8.400 ppm2      4.289 CV     1
 OR {  211}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  212}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.500     1.500     1.500 peak   212 spectrum    1 weight  0.10000E+01 volume  0.95875E-03 ppm1      8.726 ppm2      4.233 CV     1
 OR {  212}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  212}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  213}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.15583E-02 ppm1      8.400 ppm2      4.195 CV     1
 OR {  213}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  224}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     1.400     1.400 peak   224 spectrum    1 weight  0.10000E+01 volume  0.30437E-02 ppm1      8.725 ppm2      1.668 CV     1
 OR {  224}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  229}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.300     2.300     1.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.11686E-02 ppm1      8.724 ppm2      0.870 CV     1
 OR {  229}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  230}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.900     1.900     1.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.11488E-02 ppm1      8.724 ppm2      0.789 CV     1
 OR {  230}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  235}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.29723E-02 ppm1      7.766 ppm2      4.255 CV     1
 OR {  235}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  235}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  236}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   236 spectrum    1 weight  0.10000E+01 volume  0.52497E-02 ppm1      8.176 ppm2      4.099 CV     1
 OR {  236}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  236}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  244}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      3.200     1.300     1.300 peak   244 spectrum    1 weight  0.10000E+01 volume  0.20182E-02 ppm1      7.763 ppm2      1.130 CV     1
 ASSI {  247}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.300     2.300     1.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.89157E-03 ppm1      7.765 ppm2      0.944 CV     1
 OR {  247}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  253}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.900     0.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.37274E-02 ppm1      8.463 ppm2      4.303 CV     1
 OR {  253}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  254}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.44595E-02 ppm1      8.461 ppm2      4.198 CV     1
 OR {  254}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  259}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.500     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.48117E-02 ppm1      7.891 ppm2      2.699 CV     1
 OR {  259}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {  259}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  262}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.100     0.600     0.600 peak   262 spectrum    1 weight  0.10000E+01 volume  0.11173E-01 ppm1      8.464 ppm2      2.231 CV     1
 OR {  262}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 OR {  262}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 OR {  262}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  265}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      3.600     1.600     1.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.14836E-02 ppm1      8.463 ppm2      1.646 CV     1
 OR {  265}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  266}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.200     1.300     1.300 peak   266 spectrum    1 weight  0.10000E+01 volume  0.19013E-02 ppm1      8.463 ppm2      1.526 CV     1
 OR {  266}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  267}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.40062E-02 ppm1      8.463 ppm2      1.441 CV     1
 ASSI {  271}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      3.700     1.800     1.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.18542E-02 ppm1      8.463 ppm2      0.870 CV     1
 ASSI {  273}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.15343E-02 ppm1      8.274 ppm2      4.903 CV     1
 ASSI {  277}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.30522E-02 ppm1      7.719 ppm2      4.376 CV     1
 OR {  277}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  279}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     0.900     0.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.34957E-02 ppm1      8.243 ppm2      4.291 CV     1
 OR {  279}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  279}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  280}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak   280 spectrum    1 weight  0.10000E+01 volume  0.18959E-02 ppm1      8.302 ppm2      4.270 CV     1
 OR {  280}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  281}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.33617E-02 ppm1      8.149 ppm2      4.230 CV     1
 OR {  281}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  283}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak   283 spectrum    1 weight  0.10000E+01 volume  0.12294E-02 ppm1      7.720 ppm2      4.203 CV     1
 OR {  283}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  284}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak   284 spectrum    1 weight  0.10000E+01 volume  0.78357E-02 ppm1      8.244 ppm2      4.196 CV     1
 OR {  284}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  285}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.700     1.700     1.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.12242E-02 ppm1      8.251 ppm2      4.028 CV     1
 ASSI {  287}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     1.400     1.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.11667E-02 ppm1      8.148 ppm2      3.936 CV     1
 OR {  287}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  288}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name H28B ))
      3.100     1.200     1.200 peak   288 spectrum    1 weight  0.10000E+01 volume  0.22183E-02 ppm1      8.248 ppm2      3.911 CV     1
 ASSI {  301}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.500     0.800     0.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.55041E-02 ppm1      8.276 ppm2      2.002 CV     1
 OR {  301}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  308}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.50807E-02 ppm1      8.274 ppm2      1.624 CV     1
 ASSI {  309}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      2.700     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.40632E-02 ppm1      8.150 ppm2      1.639 CV     1
 ASSI {  311}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.800     1.000     1.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.31470E-02 ppm1      8.273 ppm2      1.558 CV     1
 ASSI {  313}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HB2)
      3.600     1.600     1.600 peak   313 spectrum    1 weight  0.10000E+01 volume  0.30985E-02 ppm1      8.240 ppm2      1.430 CV     1
 ASSI {  314}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.900     1.900     1.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.11592E-02 ppm1      8.828 ppm2      1.395 CV     1
 OR {  314}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  317}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.400     2.400     1.600 peak   317 spectrum    1 weight  0.10000E+01 volume  0.87492E-03 ppm1      8.828 ppm2      1.127 CV     1
 ASSI {  318}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.800     1.800     1.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.19689E-02 ppm1      8.246 ppm2      1.119 CV     1
 OR {  318}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  320}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      2.900     1.000     1.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.41440E-02 ppm1      8.277 ppm2      0.982 CV     1
 OR {  320}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  322}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.700     1.700     1.700 peak   322 spectrum    1 weight  0.10000E+01 volume  0.15587E-02 ppm1      8.304 ppm2      0.789 CV     1
 OR {  322}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  324}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak   324 spectrum    1 weight  0.10000E+01 volume  0.19276E-02 ppm1      8.192 ppm2      4.190 CV     1
 OR {  324}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  327}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   327 spectrum    1 weight  0.10000E+01 volume  0.31273E-02 ppm1      8.382 ppm2      4.375 CV     1
 OR {  327}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  328}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.500     1.500 peak   328 spectrum    1 weight  0.10000E+01 volume  0.13624E-02 ppm1      8.884 ppm2      4.276 CV     1
 OR {  328}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  329}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.26054E-02 ppm1      8.882 ppm2      4.115 CV     1
 OR {  329}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  329}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  343}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.000     2.000     2.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.71091E-03 ppm1      7.214 ppm2      4.725 CV     1
 ASSI {  347}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.800     1.800     1.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.23796E-02 ppm1      7.215 ppm2      1.050 CV     1
 OR {  347}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  349}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.24072E-02 ppm1      7.215 ppm2      1.415 CV     1
 OR {  349}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {  369}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HD21))
      3.500     1.500     1.500 peak   369 spectrum    1 weight  0.10000E+01 volume  0.15675E-02 ppm1      9.420 ppm2      7.386 CV     1
 OR {  369}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 56   and name HD% )
 ASSI {  379}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      4.300     2.300     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.87481E-03 ppm1      9.422 ppm2      1.703 CV     1
 OR {  379}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  380}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.500     0.800     0.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.45217E-02 ppm1      9.422 ppm2      1.575 CV     1
 OR {  380}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 OR {  380}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  383}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.200     1.300     1.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.18219E-02 ppm1      9.420 ppm2      0.975 CV     1
 OR {  383}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  383}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  391}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      4.000     2.000     2.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.10641E-02 ppm1      8.236 ppm2      0.985 CV     1
 OR {  391}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  397}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.000     1.200     1.200 peak   397 spectrum    1 weight  0.10000E+01 volume  0.43918E-02 ppm1      8.155 ppm2      1.607 CV     1
 ASSI {  427}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.000     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.22223E-02 ppm1      8.448 ppm2      1.260 CV     1
 ASSI {  621}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.100     0.600     0.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.14409E-01 ppm1      8.154 ppm2      4.386 CV     1
 OR {  621}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  753}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.33163E-02 ppm1      8.448 ppm2      4.359 CV     1
 ASSI {  755}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      4.900     3.000     1.100 peak   755 spectrum    1 weight  0.10000E+01 volume  0.39996E-03 ppm1      8.703 ppm2      4.299 CV     1
 OR {  755}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 OR {  755}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  757}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.300     1.300 peak   757 spectrum    1 weight  0.10000E+01 volume  0.13662E-02 ppm1      8.701 ppm2      4.186 CV     1
 OR {  757}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  818}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.700     1.700     1.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.11360E-02 ppm1      7.843 ppm2      4.039 CV     1
 ASSI {  829}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.200     1.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.58311E-03 ppm1      7.216 ppm2      3.319 CV     1
 OR {  829}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  830}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.000     2.000     2.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.65361E-03 ppm1      7.216 ppm2      3.033 CV     1
 OR {  830}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  848}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     1.000     1.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.24721E-02 ppm1      7.526 ppm2      1.043 CV     1
 OR {  848}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  850}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.900     0.900 peak   850 spectrum    1 weight  0.10000E+01 volume  0.23601E-02 ppm1      7.524 ppm2      3.319 CV     1
 ASSI {  853}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.400     1.500     1.500 peak   853 spectrum    1 weight  0.10000E+01 volume  0.77744E-03 ppm1      7.524 ppm2      3.042 CV     1
 ASSI {  864}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.700     1.700     1.700 peak   864 spectrum    1 weight  0.10000E+01 volume  0.94421E-03 ppm1      7.716 ppm2      1.031 CV     1
 OR {  864}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  864}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  868}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.500     1.500     1.500 peak   868 spectrum    1 weight  0.10000E+01 volume  0.13837E-02 ppm1      8.371 ppm2      2.194 CV     1
 ASSI {  874}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      4.600     2.700     1.400 peak   874 spectrum    1 weight  0.10000E+01 volume  0.66372E-03 ppm1      8.374 ppm2      2.935 CV     1
 OR {  874}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  889}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.100     1.100 peak   889 spectrum    1 weight  0.10000E+01 volume  0.28197E-02 ppm1      8.177 ppm2      4.009 CV     1
 OR {  889}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
 ASSI {  890}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.300     1.300     1.300 peak   890 spectrum    1 weight  0.10000E+01 volume  0.17471E-02 ppm1      8.176 ppm2      3.892 CV     1
 OR {  890}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  926}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.300     1.300     1.300 peak   926 spectrum    1 weight  0.10000E+01 volume  0.15696E-02 ppm1      7.736 ppm2      4.580 CV     1
 OR {  926}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  950}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      4.500     1.900     1.500 peak   950 spectrum    1 weight  0.10000E+01 volume  0.54247E-03 ppm1      8.489 ppm2      1.239 CV     1
 ASSI {  982}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.400     1.400 peak   982 spectrum    1 weight  0.10000E+01 volume  0.15729E-02 ppm1      8.075 ppm2      4.242 CV     1
 OR {  982}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  985}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.400     0.700     0.700 peak   985 spectrum    1 weight  0.10000E+01 volume  0.79760E-02 ppm1      8.073 ppm2      4.108 CV     1
 OR {  985}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  986}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak   986 spectrum    1 weight  0.10000E+01 volume  0.43524E-02 ppm1      7.500 ppm2      4.105 CV     1
 ASSI {  997}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      4.500     2.600     1.500 peak   997 spectrum    1 weight  0.10000E+01 volume  0.29238E-03 ppm1      8.077 ppm2      2.220 CV     1
 OR {  997}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1013}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.76424E-03 ppm1      8.028 ppm2      3.319 CV     1
 ASSI { 1014}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.000     1.100     1.100 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.21434E-02 ppm1      8.026 ppm2      3.037 CV     1
 ASSI { 1020}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.800     1.800     1.800 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.13907E-02 ppm1      8.026 ppm2      1.044 CV     1
 OR { 1020}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1027}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.46890E-02 ppm1      8.567 ppm2      4.323 CV     1
 OR { 1027}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 1040}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.900     1.900     1.900 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.88127E-03 ppm1      8.384 ppm2      4.476 CV     1
 OR { 1040}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 1048}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      3.800     1.800     1.800 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.81866E-03 ppm1      8.384 ppm2      1.615 CV     1
 OR { 1048}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI { 1072}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
      3.400     1.400     1.400 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.19908E-02 ppm1      9.047 ppm2      1.572 CV     1
 ASSI { 1074}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      2.800     1.000     1.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.37904E-02 ppm1      9.048 ppm2      1.403 CV     1
 ASSI { 1097}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.800     1.800     1.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.18468E-02 ppm1      8.063 ppm2      1.580 CV     1
 OR { 1097}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 1104}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 55   and name HG2)
      3.800     1.800     1.800 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.12070E-02 ppm1      8.064 ppm2      0.978 CV     1
 ASSI { 1111}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.85840E-02 ppm1      8.249 ppm2      4.475 CV     1
 ASSI { 1138}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      4.900     3.000     1.100 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.52995E-03 ppm1      8.840 ppm2      2.708 CV     1
 OR { 1138}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 OR { 1138}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 1184}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.27835E-02 ppm1      7.831 ppm2      4.239 CV     1
 OR { 1184}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1187}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.700     1.700     1.700 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.16937E-02 ppm1      7.830 ppm2      1.602 CV     1
 OR { 1187}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1193}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.200     2.300     1.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.78188E-03 ppm1      7.835 ppm2      1.130 CV     1
 ASSI { 1194}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.500     2.500     1.500 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.68133E-03 ppm1      7.835 ppm2      1.036 CV     1
 OR { 1194}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 1194}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1198}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      4.100     2.100     1.900 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.13242E-02 ppm1      8.016 ppm2      1.680 CV     1
 OR { 1198}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1216}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.600     1.600     1.600 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.10969E-02 ppm1      7.798 ppm2      4.375 CV     1
 ASSI { 1220}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.500     1.500     1.500 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.15637E-02 ppm1      7.800 ppm2      2.250 CV     1
 ASSI { 1224}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.400     1.400 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.14078E-02 ppm1      7.594 ppm2      4.363 CV     1
 OR { 1224}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1231}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.100     2.100     1.900 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.72356E-03 ppm1      7.890 ppm2      8.833 CV     1
 OR { 1231}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1252}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.45028E-02 ppm1      8.825 ppm2      8.035 CV     1
 OR { 1252}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1270}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.500     1.500 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.82961E-03 ppm1      9.023 ppm2      4.221 CV     1
 OR { 1270}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1274}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
      3.900     1.900     1.900 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.11710E-02 ppm1      9.023 ppm2      2.255 CV     1
 OR { 1274}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 OR { 1274}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI { 1280}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.000     2.000     2.000 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.16112E-02 ppm1      9.023 ppm2      1.039 CV     1
 OR { 1280}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1317}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.800     1.000     1.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.41407E-02 ppm1      8.543 ppm2      4.535 CV     1
 OR { 1317}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 1366}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.500     1.500     1.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.73778E-03 ppm1      8.292 ppm2      4.294 CV     1
 OR { 1366}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 OR { 1366}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1367}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.400     1.400 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.12537E-02 ppm1      8.292 ppm2      4.195 CV     1
 OR { 1367}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1392}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.600     1.700     1.700 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.69891E-03 ppm1      8.433 ppm2      2.997 CV     1
 ASSI { 1393}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.15559E-02 ppm1      9.629 ppm2      3.086 CV     1
 OR { 1393}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 1400}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.900     1.900     1.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.68278E-03 ppm1      9.626 ppm2      1.840 CV     1
 OR { 1400}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 1401}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.31026E-02 ppm1      9.628 ppm2      4.360 CV     1
 OR { 1401}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1445}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.700     2.700     1.300 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.44091E-03 ppm1      7.455 ppm2      4.241 CV     1
 OR { 1445}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 OR { 1445}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1549}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.000     2.000     2.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.76991E-03 ppm1      8.050 ppm2      1.049 CV     1
 ASSI { 1556}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.000     1.000 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.20681E-02 ppm1      8.372 ppm2      4.366 CV     1
 OR { 1556}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1559}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      3.700     1.700     1.700 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.18802E-02 ppm1      7.979 ppm2      0.969 CV     1
 OR { 1559}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1559}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI { 1564}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.200     1.300     1.300 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.16097E-02 ppm1      7.588 ppm2      2.183 CV     1
 OR { 1564}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 OR { 1564}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1565}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.400     1.400 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.16766E-02 ppm1      7.591 ppm2      1.841 CV     1
 OR { 1565}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 1637}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.600     2.600     1.400 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.64597E-03 ppm1      8.047 ppm2      2.053 CV     1
 OR { 1637}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 1637}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 1677}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      4.400     2.400     1.600 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.57843E-03 ppm1      7.981 ppm2      1.709 CV     1
 OR { 1677}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI { 1686}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      4.300     2.300     1.700 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.74076E-03 ppm1      7.718 ppm2      1.902 CV     1
 OR { 1686}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 1690}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      4.800     2.900     1.200 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.37323E-03 ppm1      8.823 ppm2      3.034 CV     1
 ASSI { 1704}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      3.900     1.900     1.900 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.68245E-03 ppm1      8.723 ppm2      0.950 CV     1
 OR { 1704}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1704}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1711}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      3.600     1.600     1.600 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.80474E-03 ppm1      8.465 ppm2      1.863 CV     1
 OR { 1711}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 1712}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
      4.200     2.200     1.800 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.54907E-03 ppm1      8.464 ppm2      1.722 CV     1
 OR { 1712}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 OR { 1712}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1712}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
 ASSI { 1748}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.900     1.900     1.900 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.59316E-03 ppm1      7.797 ppm2      3.934 CV     1
 ASSI { 1766}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.21257E-02 ppm1      8.247 ppm2      4.369 CV     1
 ASSI { 1778}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.800     0.800 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.50944E-02 ppm1      7.978 ppm2      4.268 CV     1
 OR { 1778}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1782}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.500     2.500     1.500 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.69311E-03 ppm1      7.890 ppm2      1.570 CV     1
 ASSI { 1819}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      4.600     2.600     1.400 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.48826E-03 ppm1      8.247 ppm2      4.055 CV     1
 OR { 1819}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 OR { 1819}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 OR { 1819}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI { 1829}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB1 ))
      3.300     1.400     1.400 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.12669E-02 ppm1      7.386 ppm2      1.586 CV     1
 OR { 1829}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 1842}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      5.000     3.200     1.000 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.27337E-03 ppm1      7.894 ppm2      2.024 CV     1
 OR { 1842}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1842}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1856}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      4.900     3.000     1.100 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.41314E-03 ppm1      8.880 ppm2      1.015 CV     1
 OR { 1856}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 1856}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1859}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 75   and name HD2%)
      3.500     1.500     1.500 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.98694E-03 ppm1      7.386 ppm2      0.874 CV     1
 OR { 1859}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1865}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.200     1.300     1.300 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.24573E-02 ppm1      8.249 ppm2      1.020 CV     1
 ASSI { 1886}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      4.800     2.900     1.200 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.34609E-03 ppm1      9.064 ppm2      2.555 CV     1
 ASSI { 1890}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.200     2.200     1.800 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.60659E-03 ppm1      8.462 ppm2      2.771 CV     1
 OR { 1890}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 1908}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      4.800     2.800     1.200 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.41374E-03 ppm1      8.828 ppm2      1.673 CV     1
 OR { 1908}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
 OR { 1908}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI { 1911}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.400     2.400     1.600 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.45975E-03 ppm1      9.059 ppm2      1.037 CV     1
 ASSI { 1912}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.500     2.500     1.500 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.61086E-03 ppm1      8.047 ppm2      1.394 CV     1
 ASSI { 1919}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      4.200     2.200     1.800 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.59719E-03 ppm1      7.829 ppm2      2.276 CV     1
 OR { 1919}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1921}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28B))
      4.200     2.200     1.800 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.22586E-03 ppm1      7.824 ppm2      3.897 CV     1
 OR { 1921}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28A))
 OR { 1921}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1954}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      3.800     1.800     1.800 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.70080E-03 ppm1      8.667 ppm2      1.700 CV     1
 OR { 1954}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI { 1959}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      3.800     1.800     1.800 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.90143E-03 ppm1      8.049 ppm2      7.213 CV     1
 OR { 1959}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1965}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      4.000     2.000     2.000 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.70308E-03 ppm1      7.525 ppm2      7.221 CV     1
 ASSI { 1969}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.000     2.000     2.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.11223E-02 ppm1      8.725 ppm2      1.030 CV     1
 OR { 1969}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 1969}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1971}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.32201E-02 ppm1      7.842 ppm2      8.240 CV     1
 ASSI { 1991}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.100     2.100     1.900 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.45123E-03 ppm1      7.651 ppm2      0.961 CV     1
 OR { 1991}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1991}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1998}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      3.300     1.400     1.400 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.16203E-02 ppm1      7.653 ppm2      4.018 CV     1
 OR { 1998}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 2009}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD2 ))
      3.300     1.400     1.400 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.92953E-03 ppm1      7.504 ppm2      3.279 CV     1
 OR { 2009}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 2017}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.300     1.400     1.400 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.12404E-02 ppm1      7.977 ppm2      1.837 CV     1
 ASSI { 2028}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.600     4.000     0.400 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.15101E-03 ppm1      7.217 ppm2      1.601 CV     1
 OR { 2028}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI {  115}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     1.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.74137E-02 ppm1      0.884 ppm2      4.360 CV     1
 OR {  115}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  209}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      2.600     0.800     0.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.38810E-02 ppm1      0.884 ppm2      1.475 CV     1
 OR {  209}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
 OR {  209}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  212}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      2.800     1.000     1.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.21581E-02 ppm1      0.883 ppm2      2.004 CV     1
 ASSI {  336}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.34075E-02 ppm1      1.708 ppm2      8.155 CV     1
 OR {  336}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI {  337}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
      3.200     1.300     1.300 peak   337 spectrum    1 weight  0.10000E+01 volume  0.18508E-02 ppm1      1.709 ppm2      4.366 CV     1
 OR {  337}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  359}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     1.100     1.100 peak   359 spectrum    1 weight  0.10000E+01 volume  0.39676E-02 ppm1      1.878 ppm2      4.094 CV     1
 OR {  359}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  360}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD2 ))
      3.000     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.19682E-02 ppm1      1.873 ppm2      3.013 CV     1
 OR {  360}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  376}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.300     0.700     0.700 peak   376 spectrum    1 weight  0.10000E+01 volume  0.60450E-02 ppm1      2.022 ppm2      1.694 CV     1
 OR {  376}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  384}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.300     1.400     1.400 peak   384 spectrum    1 weight  0.10000E+01 volume  0.20393E-02 ppm1      1.933 ppm2      8.434 CV     1
 ASSI {  427}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   427 spectrum    1 weight  0.10000E+01 volume  0.28884E-02 ppm1      2.359 ppm2      4.115 CV     1
 ASSI {  445}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.300     1.300 peak   445 spectrum    1 weight  0.10000E+01 volume  0.25109E-02 ppm1      2.193 ppm2      8.177 CV     1
 OR {  445}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  447}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.69253E-02 ppm1      2.266 ppm2      8.463 CV     1
 ASSI {  448}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   448 spectrum    1 weight  0.10000E+01 volume  0.61017E-02 ppm1      2.276 ppm2      8.239 CV     1
 OR {  448}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  457}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG1%)
      2.300     0.600     0.600 peak   457 spectrum    1 weight  0.10000E+01 volume  0.90732E-02 ppm1      2.265 ppm2      1.036 CV     1
 ASSI {  465}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.64822E-02 ppm1      2.277 ppm2      4.200 CV     1
 OR {  465}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  471}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      3.600     1.600     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.14665E-02 ppm1      2.360 ppm2      8.072 CV     1
 OR {  471}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  492}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      3.000     1.100     1.100 peak   492 spectrum    1 weight  0.10000E+01 volume  0.28901E-02 ppm1      3.740 ppm2      0.971 CV     1
 ASSI {  516}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak   516 spectrum    1 weight  0.10000E+01 volume  0.22065E-02 ppm1      3.922 ppm2      8.250 CV     1
 ASSI {  527}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      3.300     1.300     1.300 peak   527 spectrum    1 weight  0.10000E+01 volume  0.13723E-02 ppm1      3.942 ppm2      4.387 CV     1
 OR {  527}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  527}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  530}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.98192E-03 ppm1      3.937 ppm2      8.149 CV     1
 OR {  530}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  531}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.200     1.300     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.16152E-02 ppm1      3.942 ppm2      2.019 CV     1
 OR {  531}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
 OR {  531}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI {  532}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.500     1.500     1.500 peak   532 spectrum    1 weight  0.10000E+01 volume  0.17722E-02 ppm1      3.939 ppm2      2.186 CV     1
 OR {  532}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  552}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.000     1.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.27542E-02 ppm1      4.129 ppm2      7.807 CV     1
 ASSI {  569}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.000     1.100     1.100 peak   569 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      4.225 ppm2      1.658 CV     1
 OR {  569}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  632}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HN  ))
      3.700     1.700     1.700 peak   632 spectrum    1 weight  0.10000E+01 volume  0.18652E-02 ppm1      1.381 ppm2      8.395 CV     1
 OR {  632}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  633}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 35   and name HE% )
      3.400     1.400     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.12495E-02 ppm1      1.378 ppm2      6.966 CV     1
 OR {  633}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 40   and name HD% )
 OR {  633}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 35   and name HE% )
 ASSI {  675}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.400     2.400     1.600 peak   675 spectrum    1 weight  0.10000E+01 volume  0.95081E-03 ppm1      1.117 ppm2      8.047 CV     1
 ASSI {  679}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      3.700     1.700     1.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.16028E-02 ppm1      0.870 ppm2      8.293 CV     1
 ASSI {  749}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      3.900     1.900     1.900 peak   749 spectrum    1 weight  0.10000E+01 volume  0.13222E-02 ppm1      1.046 ppm2      4.356 CV     1
 OR {  749}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
 OR {  749}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  750}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      3.500     1.500     1.500 peak   750 spectrum    1 weight  0.10000E+01 volume  0.27452E-02 ppm1      1.046 ppm2      7.705 CV     1
 OR {  750}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  753}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   753 spectrum    1 weight  0.10000E+01 volume  0.65876E-02 ppm1      1.113 ppm2      3.935 CV     1
 OR {  753}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  849}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     1.000     1.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.29608E-02 ppm1      3.323 ppm2      1.042 CV     1
 OR {  849}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  856}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.000     1.200     1.200 peak   856 spectrum    1 weight  0.10000E+01 volume  0.19506E-02 ppm1      3.880 ppm2      8.284 CV     1
 OR {  856}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  866}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.800     1.000     1.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.31755E-02 ppm1      3.882 ppm2      1.686 CV     1
 OR {  866}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  882}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.400     1.400 peak   882 spectrum    1 weight  0.10000E+01 volume  0.12283E-02 ppm1      4.308 ppm2      8.172 CV     1
 OR {  882}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  883}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.500     1.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.90496E-03 ppm1      4.315 ppm2      8.074 CV     1
 OR {  883}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI {  885}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.500     1.500     1.500 peak   885 spectrum    1 weight  0.10000E+01 volume  0.11087E-02 ppm1      4.273 ppm2      8.703 CV     1
 OR {  885}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 OR {  885}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  888}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HG )
      2.100     0.500     0.500 peak   888 spectrum    1 weight  0.10000E+01 volume  0.16581E-01 ppm1      4.271 ppm2      0.983 CV     1
 OR {  888}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  888}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  888}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  888}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
 OR {  888}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  893}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak   893 spectrum    1 weight  0.10000E+01 volume  0.74572E-02 ppm1      4.195 ppm2      8.243 CV     1
 OR {  893}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  894}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.22915E-02 ppm1      4.204 ppm2      8.047 CV     1
 OR {  894}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  900}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      2.800     1.000     1.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.40448E-02 ppm1      4.196 ppm2      2.642 CV     1
 OR {  900}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  902}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.200     0.600     0.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.11549E-01 ppm1      4.195 ppm2      2.265 CV     1
 OR {  902}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 OR {  902}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  945}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 48   and name HG2%)
      3.300     1.400     1.400 peak   945 spectrum    1 weight  0.10000E+01 volume  0.13432E-02 ppm1      2.047 ppm2      1.121 CV     1
 OR {  945}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  962}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.300     1.800 peak   962 spectrum    1 weight  0.10000E+01 volume  0.12715E-02 ppm1      2.204 ppm2      3.315 CV     1
 ASSI { 1000}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.300     0.700     0.700 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.67287E-02 ppm1      2.052 ppm2      1.733 CV     1
 OR { 1000}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1071}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.600     1.600     1.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.26906E-02 ppm1      3.922 ppm2      2.212 CV     1
 OR { 1071}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1087}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 81   and name HB% )
      3.200     1.300     1.300 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.29525E-02 ppm1      4.024 ppm2      1.606 CV     1
 OR { 1087}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 83   and name HB% )
 OR { 1087}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 81   and name HB% )
 OR { 1087}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 83   and name HB% )
 ASSI { 1089}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.13719E-01 ppm1      4.065 ppm2      8.486 CV     1
 OR { 1089}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1117}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.300     0.700     0.700 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.88119E-02 ppm1      4.340 ppm2      8.435 CV     1
 ASSI { 1121}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.35918E-02 ppm1      4.355 ppm2      7.839 CV     1
 ASSI { 1190}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.000     1.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.39207E-02 ppm1      3.035 ppm2      8.029 CV     1
 OR { 1190}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 OR { 1190}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1252}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.45096E-02 ppm1      4.225 ppm2      8.154 CV     1
 OR { 1252}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 OR { 1252}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 OR { 1252}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1253}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.36603E-02 ppm1      4.195 ppm2      8.463 CV     1
 OR { 1253}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1311}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
      2.900     1.000     1.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.30991E-02 ppm1      2.809 ppm2      0.968 CV     1
 ASSI { 1356}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.29380E-02 ppm1      2.401 ppm2      4.252 CV     1
 OR { 1356}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1383}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.400     1.400 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.16943E-02 ppm1      0.790 ppm2      3.893 CV     1
 OR { 1383}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1412}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
      2.800     1.000     1.000 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.18834E-02 ppm1      7.308 ppm2      1.392 CV     1
 ASSI { 1450}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.000     1.000 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.19572E-02 ppm1      6.738 ppm2      0.899 CV     1
 OR { 1450}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1452}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD1%)
      2.600     0.900     0.900 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.41136E-02 ppm1      7.427 ppm2      1.001 CV     1
 OR { 1452}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
 OR { 1452}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD2%)
 OR { 1452}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HG2 ))
 ASSI { 1454}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG11))
      3.000     1.100     1.100 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.20125E-02 ppm1      6.975 ppm2      1.828 CV     1
 OR { 1454}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 14   and name HG  ))
 ASSI { 1543}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      4.500     2.500     1.500 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.96357E-03 ppm1      0.228 ppm2      8.404 CV     1
 OR { 1543}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1581}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.11421E-01 ppm1      1.114 ppm2      2.261 CV     1
 ASSI { 1735}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.19225E-02 ppm1      1.498 ppm2      4.591 CV     1
 OR { 1735}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 1757}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.33869E-02 ppm1      4.616 ppm2      8.236 CV     1
 OR { 1757}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1763}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.28402E-02 ppm1      4.577 ppm2      7.708 CV     1
 OR { 1763}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1770}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.900     0.900 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.44491E-02 ppm1      4.235 ppm2      7.826 CV     1
 OR { 1770}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 1772}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.100     1.200     1.200 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.19865E-02 ppm1      4.269 ppm2      8.301 CV     1
 OR { 1772}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1777}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.15642E-02 ppm1      1.233 ppm2      8.474 CV     1
 OR { 1777}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1778}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      2.700     0.900     0.900 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.43990E-02 ppm1      2.015 ppm2      7.974 CV     1
 ASSI { 1782}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.42842E-02 ppm1      2.004 ppm2      8.281 CV     1
 ASSI { 1810}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
      3.300     1.300     1.300 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.21728E-02 ppm1      1.978 ppm2      0.729 CV     1
 ASSI { 1835}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
      2.600     0.900     0.900 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.44063E-02 ppm1      2.211 ppm2      0.856 CV     1
 OR { 1835}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1848}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.41407E-02 ppm1      4.201 ppm2      1.573 CV     1
 ASSI { 1866}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.500     0.800     0.800 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.70395E-02 ppm1      4.250 ppm2      2.277 CV     1
 OR { 1866}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
 OR { 1866}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1889}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.300     1.400     1.400 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.12736E-02 ppm1      4.366 ppm2      7.708 CV     1
 OR { 1889}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1925}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.25083E-02 ppm1      4.205 ppm2      7.808 CV     1
 ASSI { 1941}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      3.100     1.200     1.200 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.25200E-02 ppm1      1.815 ppm2      4.265 CV     1
 OR { 1941}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1976}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      1.800     0.400     0.400 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.12350E-01 ppm1      2.355 ppm2      2.467 CV     1
 OR { 1976}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 1978}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      2.700     0.900     0.900 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.16011E-02 ppm1      1.881 ppm2      8.070 CV     1
 OR { 1978}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1979}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HE% )
      3.400     1.500     1.500 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.18578E-02 ppm1      1.126 ppm2      6.963 CV     1
 ASSI { 1984}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.39835E-02 ppm1      1.575 ppm2      4.206 CV     1
 ASSI { 1987}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 37   and name HB1 ))
      3.000     3.000     3.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.17351E-02 ppm1      1.526 ppm2      3.028 CV     1
 ASSI { 1993}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.100     1.200     1.200 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.16591E-02 ppm1      1.773 ppm2      1.418 CV     1
 OR { 1993}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 71   and name HG2 ))
 ASSI { 2001}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
      4.000     2.000     2.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.89447E-03 ppm1      0.980 ppm2      4.213 CV     1
 ASSI { 2019}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
      3.500     1.600     1.600 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.26813E-02 ppm1      1.116 ppm2      1.672 CV     1
 OR { 2019}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
 OR { 2019}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 31   and name HB1 ))
 OR { 2019}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
 ASSI { 2031}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.23495E-02 ppm1      4.337 ppm2      7.212 CV     1
 ASSI { 2034}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HB  ))
      4.000     2.000     2.000 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.11767E-02 ppm1      3.565 ppm2      1.820 CV     1
 OR { 2034}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 2040}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
      4.000     2.000     2.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.13599E-02 ppm1      2.518 ppm2      0.981 CV     1
 OR { 2040}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 60   and name HG2%)
 OR { 2040}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 2055}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB2 ))
      3.000     1.100     1.100 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.39550E-02 ppm1      0.979 ppm2      1.563 CV     1
 ASSI { 2069}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HA  ))
      2.500     0.800     0.800 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.51122E-02 ppm1      2.015 ppm2      4.257 CV     1
 OR { 2069}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2114}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HG1 ))
      1.700     0.400     0.500 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.14364E-01 ppm1      1.712 ppm2      1.957 CV     1
 OR { 2114}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HG1 ))
 OR { 2114}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 2119}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.15596E-02 ppm1      2.773 ppm2      4.241 CV     1
 OR { 2119}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
 OR { 2119}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
 OR { 2119}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2121}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.100     1.200     1.200 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.21922E-02 ppm1      3.084 ppm2      4.367 CV     1
 OR { 2121}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 2185}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      3.600     1.600     1.600 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.13019E-02 ppm1      2.317 ppm2      0.793 CV     1
 OR { 2185}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2235}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HG  ))
      2.200     0.600     0.600 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.90954E-02 ppm1      0.802 ppm2      1.575 CV     1
 OR { 2235}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2273}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.600     1.600     1.600 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.26033E-02 ppm1      2.352 ppm2      4.114 CV     1
 OR { 2273}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HB1 ))
 OR { 2273}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2292}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.600     1.600     1.600 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.10439E-02 ppm1      0.477 ppm2      3.865 CV     1
 OR { 2292}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 2309}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 31   and name HD2%)
      2.400     0.700     0.700 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.50755E-02 ppm1      1.118 ppm2      0.789 CV     1
 OR { 2309}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2349}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      2.100     0.600     0.600 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.11159E-01 ppm1      4.301 ppm2      1.016 CV     1
 OR { 2349}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 OR { 2349}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2360}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.800     1.800     1.800 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.13254E-02 ppm1      1.034 ppm2      8.370 CV     1
 ASSI { 2367}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.000     1.000 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.34976E-02 ppm1      2.266 ppm2      3.920 CV     1
 ASSI { 2377}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HB1 ))
      2.300     0.700     0.700 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.10071E-01 ppm1      2.507 ppm2      2.246 CV     1
 OR { 2377}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HB1 ))
 OR { 2377}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HB1 ))
 OR { 2377}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HB1 ))
 ASSI { 2379}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      4.100     2.100     1.900 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.14149E-02 ppm1      4.204 ppm2      1.125 CV     1
 OR { 2379}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 2419}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      3.400     1.500     1.500 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.11832E-02 ppm1      4.366 ppm2      6.966 CV     1
 OR { 2419}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 2420}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 42   and name H8A ))
      3.700     2.700     2.300 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.69900E-03 ppm1      1.131 ppm2      7.268 CV     1
 OR { 2420}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 42   and name H10A ))
 ASSI { 2431}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HG  ))
      3.300     1.400     1.400 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.14960E-02 ppm1      0.929 ppm2      1.845 CV     1
 ASSI { 2432}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.200     0.600     0.600 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.91378E-02 ppm1      1.114 ppm2      4.389 CV     1
 OR { 2432}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2444}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA2 ))
      3.900     1.900     1.900 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.92181E-03 ppm1      1.339 ppm2      3.896 CV     1
 OR { 2444}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 2476}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.300     1.300     1.300 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.19952E-02 ppm1      4.618 ppm2      8.810 CV     1
 OR { 2476}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2481}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.300     1.400     1.400 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.11294E-02 ppm1      4.273 ppm2      8.386 CV     1
 OR { 2481}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 2511}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.98058E-03 ppm1      4.095 ppm2      8.097 CV     1
 OR { 2511}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2540}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
      4.300     2.300     1.700 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.86319E-03 ppm1      1.406 ppm2      2.701 CV     1
 OR { 2540}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB1 ))
 OR { 2540}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 2585}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.600     1.600 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.15878E-02 ppm1      1.629 ppm2      8.030 CV     1
 ASSI { 2588}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.38254E-02 ppm1      1.429 ppm2      4.371 CV     1
 OR { 2588}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2590}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.900     0.900 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.47410E-02 ppm1      2.255 ppm2      4.214 CV     1
 OR { 2590}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 2593}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.42806E-02 ppm1      2.145 ppm2      4.357 CV     1
 ASSI { 2594}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.200     1.200 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.18547E-02 ppm1      1.874 ppm2      4.212 CV     1
 OR { 2594}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 2608}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.500     1.500     1.500 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.25652E-02 ppm1      4.375 ppm2      2.254 CV     1
 ASSI { 2629}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 18   and name HB% )
      3.500     1.600     1.600 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.14570E-02 ppm1      4.063 ppm2      1.520 CV     1
 OR { 2629}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 2645}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      3.600     1.600     1.600 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.10291E-02 ppm1      0.976 ppm2      3.745 CV     1
 ASSI { 2664}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 23   and name HA1 ))
      3.600     1.600     1.600 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.16534E-02 ppm1      1.522 ppm2      4.054 CV     1
 OR { 2664}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 23   and name HA2 ))
 ASSI { 2701}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.200     1.300     1.300 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.13338E-02 ppm1      2.028 ppm2      4.223 CV     1
 OR { 2701}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 2704}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.800     1.000     1.000 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.37323E-02 ppm1      4.235 ppm2      2.758 CV     1
 OR { 2704}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 OR { 2704}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 2730}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.300     2.400     1.700 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.55433E-03 ppm1      2.508 ppm2      1.856 CV     1
 OR { 2730}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 2730}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 38   and name HG11))
 OR { 2730}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 2747}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
      4.800     2.800     1.200 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.37567E-03 ppm1      3.880 ppm2      2.296 CV     1
 OR { 2747}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR { 2747}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 2751}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      4.500     2.600     1.500 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.53472E-03 ppm1      3.322 ppm2      1.868 CV     1
 OR { 2751}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 2755}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
      4.900     3.000     1.100 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.38531E-03 ppm1      3.612 ppm2      3.887 CV     1
 ASSI { 2756}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
      3.900     1.900     1.900 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.51782E-03 ppm1      3.616 ppm2      4.230 CV     1
 OR { 2756}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 2758}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak  2758 spectrum    1 weight  0.10000E+01 volume  0.10665E-02 ppm1      3.319 ppm2      7.221 CV     1
 OR { 2758}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 2768}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      4.900     3.100     1.100 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.37482E-03 ppm1      4.238 ppm2      9.050 CV     1
 OR { 2768}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HE  ))
 ASSI { 2787}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      4.900     3.000     1.100 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.33899E-03 ppm1      1.639 ppm2      8.709 CV     1
 OR { 2787}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2800}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.800     1.800     1.800 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.90063E-03 ppm1      2.022 ppm2      7.220 CV     1
 ASSI { 2804}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
      3.900     1.900     1.900 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.75153E-03 ppm1      0.928 ppm2      7.955 CV     1
 ASSI { 2806}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      4.800     1.800     1.200 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.52669E-03 ppm1      0.928 ppm2      8.250 CV     1
 ASSI { 2808}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      4.600     2.600     1.400 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.47347E-03 ppm1      1.042 ppm2      9.028 CV     1
 ASSI { 2829}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.300     2.300     1.700 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.54260E-03 ppm1      1.011 ppm2      8.718 CV     1
 OR { 2829}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 2834}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      4.300     2.400     1.700 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.72400E-03 ppm1      0.229 ppm2      4.387 CV     1
 OR { 2834}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 2838}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      4.000     2.000     2.000 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.42472E-03 ppm1      0.874 ppm2      4.234 CV     1
 ASSI { 2899}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.500     1.500 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.93649E-03 ppm1      1.661 ppm2      3.934 CV     1
 OR { 2899}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2914}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 68   and name HB  ))
      4.000     2.000     2.000 peak  2914 spectrum    1 weight  0.10000E+01 volume  0.56150E-03 ppm1      0.344 ppm2      2.390 CV     1
 OR { 2914}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2930}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.200     2.200     1.800 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.49352E-03 ppm1      2.395 ppm2      4.387 CV     1
 ASSI { 2946}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.83531E-03 ppm1      0.791 ppm2      8.042 CV     1
 OR { 2946}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2954}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.500     2.500     1.500 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.37841E-03 ppm1      2.629 ppm2      4.379 CV     1
 ASSI { 2955}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.200     1.200 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.83112E-03 ppm1      3.326 ppm2      8.040 CV     1
 OR { 2955}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2982}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 75   and name HA  ))
      4.300     2.400     1.700 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.34327E-03 ppm1      1.737 ppm2      3.890 CV     1
 OR { 2982}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2997}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 73   and name HG1 ))
      3.900     1.900     1.900 peak  2997 spectrum    1 weight  0.10000E+01 volume  0.93692E-03 ppm1      1.031 ppm2      2.627 CV     1
 ASSI { 3014}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      3.900     1.900     1.900 peak  3014 spectrum    1 weight  0.10000E+01 volume  0.87768E-03 ppm1      1.114 ppm2      8.463 CV     1
 OR { 3014}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 3016}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
      3.700     1.700     1.700 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.88913E-03 ppm1      0.978 ppm2      8.275 CV     1
 OR { 3016}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 3018}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.400     2.500     1.600 peak  3018 spectrum    1 weight  0.10000E+01 volume  0.56794E-03 ppm1      1.035 ppm2      7.810 CV     1
 ASSI { 3035}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD2%)
      2.400     0.700     0.700 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.40670E-02 ppm1      2.047 ppm2      1.021 CV     1
 OR { 3035}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 3035}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 3053}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak  3053 spectrum    1 weight  0.10000E+01 volume  0.64537E-03 ppm1      1.210 ppm2      8.040 CV     1
 OR { 3053}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 3072}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.69554E-03 ppm1      0.475 ppm2      8.037 CV     1
 OR { 3072}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 3077}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      4.100     2.100     1.900 peak  3077 spectrum    1 weight  0.10000E+01 volume  0.57840E-03 ppm1      1.033 ppm2      7.213 CV     1
 ASSI { 3079}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 40   and name HD% )
      4.300     2.300     1.700 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.10626E-02 ppm1      1.512 ppm2      6.962 CV     1
 OR { 3079}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 3084}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 37   and name HN  ))
      4.700     2.800     1.300 peak  3084 spectrum    1 weight  0.10000E+01 volume  0.37904E-03 ppm1      1.835 ppm2      7.588 CV     1
 ASSI { 3138}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.200     1.300     1.300 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.20554E-02 ppm1      3.034 ppm2      8.048 CV     1
 ASSI { 3153}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.500     2.600     1.500 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.76960E-03 ppm1      1.817 ppm2      4.013 CV     1
 OR { 3153}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 3160}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.300     1.400     1.400 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.11993E-02 ppm1      1.558 ppm2      7.965 CV     1
 ASSI { 3191}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      2.700     2.700     3.300 peak  3191 spectrum    1 weight  0.10000E+01 volume  0.69023E-03 ppm1      0.784 ppm2      4.292 CV     1
 OR { 3191}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
 OR { 3191}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 3209}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HB2 ))
      2.700     2.700     3.300 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.94736E-03 ppm1      0.839 ppm2      2.350 CV     1
 OR { 3209}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 3225}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
      4.200     2.300     1.800 peak  3225 spectrum    1 weight  0.10000E+01 volume  0.45923E-03 ppm1      1.374 ppm2      7.388 CV     1
 OR { 3225}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
 ASSI { 3228}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      4.400     2.400     1.600 peak  3228 spectrum    1 weight  0.10000E+01 volume  0.25616E-03 ppm1      3.022 ppm2      4.197 CV     1
 OR { 3228}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 3231}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 28   and name HA2 ))
      3.400     3.400     2.600 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.52959E-03 ppm1      2.689 ppm2      3.881 CV     1
 ASSI { 3279}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak  3279 spectrum    1 weight  0.10000E+01 volume  0.88965E-03 ppm1      2.410 ppm2      4.371 CV     1
 OR { 3279}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 3281}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.300     1.300     1.300 peak  3281 spectrum    1 weight  0.10000E+01 volume  0.11299E-02 ppm1      3.066 ppm2      7.700 CV     1
 OR { 3281}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 3288}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      3.500     1.500     1.500 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.69355E-03 ppm1      3.540 ppm2      6.964 CV     1
 OR { 3288}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 3308}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.800     1.800     1.800 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.70395E-03 ppm1      3.060 ppm2      1.829 CV     1
 OR { 3308}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 3366}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      3.800     1.800     1.800 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.92589E-03 ppm1      4.131 ppm2      1.522 CV     1
 ASSI { 3370}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
      4.100     2.100     1.900 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.64049E-03 ppm1      2.192 ppm2      4.013 CV     1
 OR { 3370}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI { 3380}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 78   and name HG2%)
      2.500     2.500     3.500 peak  3380 spectrum    1 weight  0.10000E+01 volume  0.11548E-02 ppm1      6.806 ppm2      0.870 CV     1
 OR { 3380}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD1%)
 OR { 3380}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 4    and name HD1%) 
 ASSI { 3396}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB1 ))
      4.000     2.000     2.000 peak  3396 spectrum    1 weight  0.10000E+01 volume  0.12197E-02 ppm1      7.169 ppm2      2.956 CV     1
 OR { 3396}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HD2 ))
 ASSI { 3397}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      3.900     1.900     1.900 peak  3397 spectrum    1 weight  0.10000E+01 volume  0.91723E-03 ppm1      7.169 ppm2      2.832 CV     1
 ASSI { 3411}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 68   and name HG1%)
      4.500     2.500     1.500 peak  3411 spectrum    1 weight  0.10000E+01 volume  0.51448E-03 ppm1      7.165 ppm2      1.136 CV     1
 OR { 3411}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 3525}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.36718E-03 ppm1      1.403 ppm2      8.008 CV     1
 OR { 3525}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 3526}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak  3526 spectrum    1 weight  0.10000E+01 volume  0.43770E-03 ppm1      1.382 ppm2      8.040 CV     1
 OR { 3526}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 3527}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.800     2.900     1.200 peak  3527 spectrum    1 weight  0.10000E+01 volume  0.52565E-03 ppm1      1.352 ppm2      8.069 CV     1
 OR { 3527}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 54   and name HN  ))  
 ASSI { 3548}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HE  ))
      4.600     2.600     1.400 peak  3548 spectrum    1 weight  0.10000E+01 volume  0.36841E-03 ppm1      2.058 ppm2      7.550 CV     1
 ASSI { 3553}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.600     2.700     1.400 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.61929E-03 ppm1      2.453 ppm2      9.052 CV     1
 OR { 3553}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 3571}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.66057E-03 ppm1      2.271 ppm2      9.060 CV     1
 OR { 3571}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 3603}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      5.000     3.100     1.000 peak  3603 spectrum    1 weight  0.10000E+01 volume  0.33075E-03 ppm1      3.742 ppm2      7.974 CV     1
 OR { 3603}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 3654}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HA  ))
      4.300     2.300     1.700 peak  3654 spectrum    1 weight  0.10000E+01 volume  0.51598E-03 ppm1      4.064 ppm2      4.726 CV     1
 OR { 3654}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 3661}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      3.500     1.500     1.500 peak  3661 spectrum    1 weight  0.10000E+01 volume  0.74939E-03 ppm1      4.135 ppm2      2.194 CV     1
 ASSI { 3703}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      4.200     2.200     1.800 peak  3703 spectrum    1 weight  0.10000E+01 volume  0.53502E-03 ppm1      2.049 ppm2      3.892 CV     1
 OR { 3703}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 3706}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.900     1.900     1.900 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.47805E-03 ppm1      2.808 ppm2      4.111 CV     1
 OR { 3706}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA2 ))
 OR { 3706}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA1 ))
 OR { 3706}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 3744}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HA2 ))
      5.200     3.400     0.800 peak  3744 spectrum    1 weight  0.10000E+01 volume  0.12500E-03 ppm1      2.789 ppm2      3.907 CV     1
 OR { 3744}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HA  ))
 OR { 3744}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 3770}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      5.400     3.600     0.600 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.28046E-03 ppm1      4.120 ppm2      8.478 CV     1
 OR { 3770}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 3772}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      4.400     2.400     1.600 peak  3772 spectrum    1 weight  0.10000E+01 volume  0.35551E-03 ppm1      4.270 ppm2      7.634 CV     1
 OR { 3772}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 79   and name HD22))
 OR { 3772}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 79   and name HD22))
 ASSI { 3777}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HB2 ))
      4.900     3.000     1.100 peak  3777 spectrum    1 weight  0.10000E+01 volume  0.40747E-03 ppm1      3.268 ppm2      4.323 CV     1
 OR { 3777}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 3781}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      4.800     2.900     1.200 peak  3781 spectrum    1 weight  0.10000E+01 volume  0.56553E-03 ppm1      2.963 ppm2      4.364 CV     1
 OR { 3781}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 3815}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.400     1.400 peak  3815 spectrum    1 weight  0.10000E+01 volume  0.14335E-02 ppm1      3.036 ppm2      1.052 CV     1
 OR { 3815}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HD2% ))
 ASSI { 3866}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      2.900     2.900     3.100 peak  3866 spectrum    1 weight  0.10000E+01 volume  0.44948E-03 ppm1      0.869 ppm2      4.109 CV     1
 OR { 3866}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 57   and name HA2 ))
 OR { 3866}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 57   and name HA1 ))
 ASSI { 3917}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HD2 ))
      4.200     2.200     1.800 peak  3917 spectrum    1 weight  0.10000E+01 volume  0.37370E-03 ppm1      0.479 ppm2      3.035 CV     1
 ASSI { 3929}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 74   and name HD2%)
      4.000     2.000     2.000 peak  3929 spectrum    1 weight  0.10000E+01 volume  0.88932E-03 ppm1      2.377 ppm2      0.999 CV     1
 OR { 3929}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 3929}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI { 3959}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
      4.100     2.100     1.900 peak  3959 spectrum    1 weight  0.10000E+01 volume  0.54510E-03 ppm1      2.350 ppm2      1.465 CV     1
 OR { 3959}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 52   and name HB2 ))
 OR { 3959}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 60   and name HG11))
 ASSI { 3971}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
      4.600     2.700     1.400 peak  3971 spectrum    1 weight  0.10000E+01 volume  0.59694E-03 ppm1      2.624 ppm2      7.806 CV     1
 ASSI { 3972}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      5.200     3.300     0.800 peak  3972 spectrum    1 weight  0.10000E+01 volume  0.28671E-03 ppm1      2.392 ppm2      7.804 CV     1
 ASSI { 3981}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      3.900     1.900     1.900 peak  3981 spectrum    1 weight  0.10000E+01 volume  0.47435E-03 ppm1      1.639 ppm2      3.923 CV     1
 OR { 3981}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 OR { 3981}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
 OR { 3981}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 3993}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      4.800     2.900     1.200 peak  3993 spectrum    1 weight  0.10000E+01 volume  0.62442E-03 ppm1      3.078 ppm2      6.958 CV     1
 OR { 3993}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 4031}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.500     1.500 peak  4031 spectrum    1 weight  0.10000E+01 volume  0.13827E-02 ppm1      0.949 ppm2      4.012 CV     1
 OR { 4031}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 66   and name HA1 ))
 ASSI { 4032}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 61   and name HD2 ))
      3.900     1.900     1.900 peak  4032 spectrum    1 weight  0.10000E+01 volume  0.83824E-03 ppm1      0.950 ppm2      3.581 CV     1
 ASSI { 4037}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
      3.600     1.600     1.600 peak  4037 spectrum    1 weight  0.10000E+01 volume  0.14659E-02 ppm1      0.987 ppm2      4.010 CV     1
 OR { 4037}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
 OR { 4037}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 66   and name HA1 ))
 ASSI { 4072}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.69456E-03 ppm1      0.934 ppm2      3.910 CV     1
 OR { 4072}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 4098}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      3.700     1.800     1.800 peak  4098 spectrum    1 weight  0.10000E+01 volume  0.89039E-03 ppm1      0.975 ppm2      8.263 CV     1
 ASSI { 4108}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      4.600     2.700     1.400 peak  4108 spectrum    1 weight  0.10000E+01 volume  0.50500E-03 ppm1      1.786 ppm2      4.724 CV     1
 ASSI { 4110}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      4.800     2.800     1.200 peak  4110 spectrum    1 weight  0.10000E+01 volume  0.22148E-03 ppm1      2.211 ppm2      4.111 CV     1
 OR { 4110}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 4110}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
 OR { 4110}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 4117}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD1%)
      4.200     2.200     1.800 peak  4117 spectrum    1 weight  0.10000E+01 volume  0.67076E-03 ppm1      1.131 ppm2      0.226 CV     1
 ASSI { 4179}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.700     1.700     1.700 peak  4179 spectrum    1 weight  0.10000E+01 volume  0.16944E-02 ppm1      1.389 ppm2      4.207 CV     1
 OR { 4179}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 42   and name HA  ))
 OR { 4179}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 4186}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 31   and name HB2 ))
      4.800     2.900     1.200 peak  4186 spectrum    1 weight  0.10000E+01 volume  0.48142E-03 ppm1      2.208 ppm2      1.058 CV     1
 OR { 4186}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 70   and name HG2%)
 OR { 4186}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 4186}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 4190}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      4.200     2.200     1.800 peak  4190 spectrum    1 weight  0.10000E+01 volume  0.70258E-03 ppm1      3.944 ppm2      8.465 CV     1
 OR { 4190}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 4192}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  4192 spectrum    1 weight  0.10000E+01 volume  0.66594E-03 ppm1      4.091 ppm2      4.657 CV     1
 OR { 4192}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HA  ))
 OR { 4192}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HA  ))
 OR { 4192}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 4194}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.800     1.800     1.800 peak  4194 spectrum    1 weight  0.10000E+01 volume  0.87990E-03 ppm1      1.720 ppm2      8.154 CV     1
 OR { 4194}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 4196}
   (( segid "    " and resid 34   and name HG1 ))
   (  segid "    " and resid 70   and name HG2%)
      3.600     1.700     1.700 peak  4196 spectrum    1 weight  0.10000E+01 volume  0.92537E-03 ppm1      1.932 ppm2      1.040 CV     1
 ASSI { 4224}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HB1 ))
      4.000     2.000     2.000 peak  4224 spectrum    1 weight  0.10000E+01 volume  0.10373E-02 ppm1      2.705 ppm2      2.041 CV     1
 OR { 4224}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 4224}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 4224}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 4224}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 4224}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 4224}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 52   and name HG  ))
 OR { 4224}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 4224}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 4231}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.200     1.200 peak  4231 spectrum    1 weight  0.10000E+01 volume  0.26450E-02 ppm1      4.037 ppm2      8.247 CV     1
 ASSI { 4240}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
      2.400     0.700     0.700 peak  4240 spectrum    1 weight  0.10000E+01 volume  0.87119E-02 ppm1      1.561 ppm2      0.982 CV     1
 OR { 4240}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 4256}
   (( segid "    " and resid 72   and name HD1 ))
   (  segid "    " and resid 31   and name HD2%)
      4.600     2.700     1.400 peak  4256 spectrum    1 weight  0.10000E+01 volume  0.42617E-03 ppm1      3.487 ppm2      0.791 CV     1
 OR { 4256}
   (( segid "    " and resid 72   and name HD1 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 4268}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      4.600     2.600     1.400 peak  4268 spectrum    1 weight  0.10000E+01 volume  0.36783E-03 ppm1      2.404 ppm2      0.807 CV     1
 OR { 4268}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 78   and name HD1%)
 OR { 4268}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 4270}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      2.700     0.900     0.900 peak  4270 spectrum    1 weight  0.10000E+01 volume  0.57468E-02 ppm1      1.565 ppm2      0.867 CV     1
 ASSI { 4271}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      2.300     0.700     0.700 peak  4271 spectrum    1 weight  0.10000E+01 volume  0.56739E-02 ppm1      1.575 ppm2      0.809 CV     1
 ASSI { 4336}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.600     2.600     1.400 peak  4336 spectrum    1 weight  0.10000E+01 volume  0.31108E-03 ppm1      3.920 ppm2      2.365 CV     1
 OR { 4336}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR { 4336}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI { 4340}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.400     1.400     1.400 peak  4340 spectrum    1 weight  0.10000E+01 volume  0.10319E-02 ppm1      3.924 ppm2      8.187 CV     1
 OR { 4340}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 4365}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
      4.900     3.000     1.100 peak  4365 spectrum    1 weight  0.10000E+01 volume  0.45742E-03 ppm1      2.964 ppm2      1.827 CV     1
 ASSI { 4378}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.200     1.200     1.200 peak  4378 spectrum    1 weight  0.10000E+01 volume  0.11804E-02 ppm1      4.115 ppm2      8.073 CV     1
 OR { 4378}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 4413}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      4.500     2.500     1.500 peak  4413 spectrum    1 weight  0.10000E+01 volume  0.27931E-03 ppm1      2.327 ppm2      3.928 CV     1
 OR { 4413}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 4417}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 60   and name HB  ))
      4.200     2.200     1.800 peak  4417 spectrum    1 weight  0.10000E+01 volume  0.24544E-03 ppm1      2.461 ppm2      1.843 CV     1
 OR { 4417}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 4492}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      4.500     2.500     1.500 peak  4492 spectrum    1 weight  0.10000E+01 volume  0.38892E-03 ppm1      2.763 ppm2      1.592 CV     1
 OR { 4492}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 4510}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.600     1.600     1.600 peak  4510 spectrum    1 weight  0.10000E+01 volume  0.68056E-03 ppm1      4.376 ppm2      7.811 CV     1
 ASSI { 4511}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      5.500     3.800     0.500 peak  4511 spectrum    1 weight  0.10000E+01 volume  0.18797E-03 ppm1      2.769 ppm2      8.288 CV     1
 OR { 4511}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 4512}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.800     0.000 peak  4512 spectrum    1 weight  0.10000E+01 volume  0.15462E-03 ppm1      3.078 ppm2      8.282 CV     1
 ASSI { 4515}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      3.500     1.500     1.500 peak  4515 spectrum    1 weight  0.10000E+01 volume  0.66484E-03 ppm1      2.815 ppm2      7.953 CV     1
 OR { 4515}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 4539}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      4.800     2.900     1.200 peak  4539 spectrum    1 weight  0.10000E+01 volume  0.23540E-03 ppm1      3.079 ppm2      4.343 CV     1
 OR { 4539}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 4556}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
      3.600     1.600     1.600 peak  4556 spectrum    1 weight  0.10000E+01 volume  0.36742E-02 ppm1      2.124 ppm2      0.983 CV     1
 OR { 4556}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 60   and name HG2%)
 OR { 4556}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 4587}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.400     1.400 peak  4587 spectrum    1 weight  0.10000E+01 volume  0.10689E-02 ppm1      6.976 ppm2      4.368 CV     1
 ASSI { 4591}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HA2 ))
      5.200     3.400     0.800 peak  3744 spectrum    1 weight  0.10000E+01 volume  0.12500E-03 ppm1      2.789 ppm2      3.907 CV     1
 OR { 4591}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 OR { 4591}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 4605}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
      2.900     1.000     1.000 peak  4605 spectrum    1 weight  0.10000E+01 volume  0.34236E-02 ppm1      3.551 ppm2      1.415 CV     1
 OR { 4605}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 4612}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
      2.500     0.800     0.800 peak  4612 spectrum    1 weight  0.10000E+01 volume  0.42998E-02 ppm1      3.455 ppm2      0.976 CV     1
 OR { 4612}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 4619}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HG2%)
      3.500     1.600     1.600 peak  4619 spectrum    1 weight  0.10000E+01 volume  0.11862E-02 ppm1      7.427 ppm2      0.881 CV     1
 OR { 4619}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 4643}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HN  ))
      3.500     1.500     1.500 peak  4643 spectrum    1 weight  0.10000E+01 volume  0.20527E-02 ppm1      1.814 ppm2      7.978 CV     1
 OR { 4643}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 4644}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak  4644 spectrum    1 weight  0.10000E+01 volume  0.16767E-02 ppm1      6.740 ppm2      3.887 CV     1
 ASSI { 4645}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak  4645 spectrum    1 weight  0.10000E+01 volume  0.15224E-02 ppm1      1.032 ppm2      4.202 CV     1
 ASSI { 4649}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak  4649 spectrum    1 weight  0.10000E+01 volume  0.85481E-03 ppm1      1.399 ppm2      3.033 CV     1
 ASSI { 4668}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.200     1.800 peak  4668 spectrum    1 weight  0.10000E+01 volume  0.11757E-02 ppm1      1.030 ppm2      8.052 CV     1
 OR { 4668}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 4678}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.400     1.400 peak  4678 spectrum    1 weight  0.10000E+01 volume  0.11594E-02 ppm1      3.920 ppm2      7.829 CV     1
 ASSI { 4694}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HB2 ))
      3.000     1.100     1.100 peak  4694 spectrum    1 weight  0.10000E+01 volume  0.22935E-02 ppm1      1.522 ppm2      2.837 CV     1
 OR { 4694}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 4732}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak  4732 spectrum    1 weight  0.10000E+01 volume  0.11325E-02 ppm1      6.959 ppm2      0.898 CV     1
 OR { 4732}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 4737}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 68   and name HB  ))
      3.700     1.700     1.700 peak  4737 spectrum    1 weight  0.10000E+01 volume  0.59525E-03 ppm1      6.961 ppm2      2.395 CV     1
 OR { 4737}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB1 ))
 OR { 4737}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 38   and name HB  )) 
 ASSI { 4746}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
      3.800     1.800     1.800 peak  4746 spectrum    1 weight  0.10000E+01 volume  0.10109E-02 ppm1      1.979 ppm2      1.120 CV     1
 OR { 4746}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 4749}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      4.900     3.100     1.100 peak  4749 spectrum    1 weight  0.10000E+01 volume  0.20002E-03 ppm1      1.972 ppm2      3.918 CV     1
 OR { 4749}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 4751}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
      2.700     0.900     0.900 peak  4751 spectrum    1 weight  0.10000E+01 volume  0.33615E-02 ppm1      1.437 ppm2      1.840 CV     1
 OR { 4751}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 4849}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  4849 spectrum    1 weight  0.10000E+01 volume  0.53852E-02 ppm1      2.679 ppm2      4.546 CV     1
 ASSI { 4851}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
      3.200     1.300     1.300 peak  4851 spectrum    1 weight  0.10000E+01 volume  0.18548E-02 ppm1      2.678 ppm2      1.571 CV     1
 OR { 4851}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 4851}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
 OR { 4851}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 4854}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HG  ))
      3.400     1.400     1.400 peak  4854 spectrum    1 weight  0.10000E+01 volume  0.21108E-02 ppm1      3.028 ppm2      1.573 CV     1
 OR { 4854}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 4854}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB1 ))
 OR { 4854}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 4910}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.600     1.700     1.700 peak  4910 spectrum    1 weight  0.10000E+01 volume  0.90450E-03 ppm1      1.852 ppm2      3.888 CV     1
 OR { 4910}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 4929}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HG  ))
      2.300     0.700     0.700 peak  4929 spectrum    1 weight  0.10000E+01 volume  0.73816E-02 ppm1      2.014 ppm2      1.823 CV     1
 ASSI { 4949}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      4.200     2.200     1.800 peak  4949 spectrum    1 weight  0.10000E+01 volume  0.41675E-03 ppm1      0.934 ppm2      8.706 CV     1
 OR { 4949}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 4986}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak  4986 spectrum    1 weight  0.10000E+01 volume  0.20354E-02 ppm1      1.032 ppm2      8.250 CV     1
 ASSI { 5016}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak  5016 spectrum    1 weight  0.10000E+01 volume  0.73238E-02 ppm1      1.114 ppm2      0.861 CV     1
 OR { 5016}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 5018}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      3.700     1.700     1.700 peak  5018 spectrum    1 weight  0.10000E+01 volume  0.53666E-03 ppm1      4.035 ppm2      2.195 CV     1
 ASSI { 5024}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HA  ))
      3.300     1.300     1.300 peak  5024 spectrum    1 weight  0.10000E+01 volume  0.11424E-02 ppm1      1.209 ppm2      3.321 CV     1
 ASSI { 5048}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 31   and name HG  ))
      3.800     1.800     1.800 peak  5048 spectrum    1 weight  0.10000E+01 volume  0.70776E-03 ppm1      7.218 ppm2      1.204 CV     1
 ASSI { 5050}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
      4.100     2.100     1.900 peak  5050 spectrum    1 weight  0.10000E+01 volume  0.44880E-03 ppm1      7.224 ppm2      0.798 CV     1
 ASSI { 5140}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.100     0.600     0.600 peak  5140 spectrum    1 weight  0.10000E+01 volume  0.18483E-01 ppm1      2.241 ppm2      2.411 CV     1
 OR { 5140}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR { 5140}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 5152}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      4.100     2.100     1.900 peak  5152 spectrum    1 weight  0.10000E+01 volume  0.67374E-03 ppm1      4.549 ppm2      8.246 CV     1
 ASSI { 5063}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD2%)
      4.000     2.000     2.000 peak  5063 spectrum    1 weight  0.10000E+01 volume  0.67528E-03 ppm1      1.128 ppm2      0.346 CV     1
 ASSI { 5069}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 35   and name HD%  ))
      4.000     3.100     2.000 peak  5069 spectrum    1 weight  0.10000E+01 volume  0.23951E-03 ppm1      1.125 ppm2      4.915 CV     1
 ASSI { 5175}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 71   and name HG2 ))
      5.100     3.300     0.900 peak  5175 spectrum    1 weight  0.10000E+01 volume  0.34338E-03 ppm1      3.304 ppm2      1.389 CV     1
 OR { 5175}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 5178}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
      3.700     1.700     1.700 peak  5178 spectrum    1 weight  0.10000E+01 volume  0.71778E-03 ppm1      7.307 ppm2      0.799 CV     1
 OR { 5178}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 5180}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HB2 ))
      3.700     1.700     1.700 peak  5180 spectrum    1 weight  0.10000E+01 volume  0.30785E-03 ppm1      3.032 ppm2      1.383 CV     1
 OR { 5180}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
 ASSI { 5194}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HB1 ))
      4.500     2.600     1.500 peak  5194 spectrum    1 weight  0.10000E+01 volume  0.67711E-03 ppm1      0.788 ppm2      1.868 CV     1
 OR { 5194}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 5199}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB2 ))
      3.200     1.300     1.300 peak  5199 spectrum    1 weight  0.10000E+01 volume  0.29372E-02 ppm1      0.788 ppm2      1.054 CV     1
 OR { 5199}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 5207}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.600     0.600 peak  5207 spectrum    1 weight  0.10000E+01 volume  0.94120E-02 ppm1      4.257 ppm2      1.848 CV     1
 OR { 5207}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 5208}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      5.600     3.900     0.400 peak  5208 spectrum    1 weight  0.10000E+01 volume  0.24619E-03 ppm1      2.854 ppm2      4.328 CV     1
 OR { 5208}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 5228}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      4.500     2.100     1.500 peak  5228 spectrum    1 weight  0.10000E+01 volume  0.53510E-03 ppm1      4.354 ppm2      4.558 CV     1
 ASSI { 5251}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      1.800     0.400     0.400 peak  5251 spectrum    1 weight  0.10000E+01 volume  0.11374E-01 ppm1      1.635 ppm2      1.042 CV     1
 OR { 5251}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 5251}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 5252}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HG  ))
      2.500     0.800     0.800 peak  5252 spectrum    1 weight  0.10000E+01 volume  0.47257E-02 ppm1      1.635 ppm2      1.215 CV     1
 ASSI { 5261}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      4.000     2.000     2.000 peak  5261 spectrum    1 weight  0.10000E+01 volume  0.87062E-03 ppm1      4.430 ppm2      0.972 CV     1
 OR { 5261}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 5261}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 5261}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI { 5267}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      4.500     2.500     1.500 peak  5267 spectrum    1 weight  0.10000E+01 volume  0.35661E-03 ppm1      2.043 ppm2      1.132 CV     1
 ASSI { 5290}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
      2.800     0.800     0.800 peak  5290 spectrum    1 weight  0.10000E+01 volume  0.62127E-02 ppm1      4.360 ppm2      0.981 CV     1
 OR { 5290}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 5318}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 46   and name HB1 ))
      4.500     2.500     1.500 peak  5318 spectrum    1 weight  0.10000E+01 volume  0.28301E-03 ppm1      1.008 ppm2      2.292 CV     1
 OR { 5318}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 47   and name HB1 ))
 OR { 5318}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 5323}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
      3.800     1.800     1.800 peak  5323 spectrum    1 weight  0.10000E+01 volume  0.25156E-02 ppm1      2.358 ppm2      4.264 CV     1
 OR { 5323}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 5326}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      4.600     2.700     1.400 peak  5326 spectrum    1 weight  0.10000E+01 volume  0.19560E-03 ppm1      2.192 ppm2      3.928 CV     1
 OR { 5326}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 5327}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      4.000     2.000     2.000 peak  5327 spectrum    1 weight  0.10000E+01 volume  0.47923E-03 ppm1      2.328 ppm2      4.035 CV     1
 ASSI { 5329}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      4.300     2.300     1.700 peak  5329 spectrum    1 weight  0.10000E+01 volume  0.41048E-03 ppm1      2.359 ppm2      4.377 CV     1
 OR { 5329}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HB  ))
 OR { 5329}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 5410}
   (( segid "    " and resid 68  and name HG1% ))
   (( segid "    " and resid 35  and name HZ  ))
      4.200      1.900     1.200 peak  5410 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.128 ppm2      6.895   CV    1
 ASSI { 5637}
   (( segid "    " and resid 4   and name HD1% ))
   (( segid "    " and resid 82  and name HG  ))
      4.200      1.900     1.200 peak  5637 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.128 ppm2      6.895   CV    1


 ASSI {   38}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.700     1.700     1.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.21016E-02 ppm1      7.703 ppm2      1.048 CV     1
 ASSI {   39}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.100     1.200     1.200 peak    39 spectrum    1 weight  0.10000E+01 volume  0.14980E-02 ppm1      7.702 ppm2      2.407 CV     1
 ASSI {   40}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak    40 spectrum    1 weight  0.10000E+01 volume  0.20500E-02 ppm1      7.702 ppm2      4.580 CV     1
 ASSI {   42}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.700     1.700     1.700 peak    42 spectrum    1 weight  0.10000E+01 volume  0.71844E-03 ppm1      7.703 ppm2      4.813 CV     1
 ASSI {   44}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.800     1.800     1.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.97250E-03 ppm1      7.700 ppm2      2.996 CV     1
 ASSI {  150}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.24180E-02 ppm1      7.443 ppm2      8.542 CV     1
 ASSI {  168}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.30725E-02 ppm1      7.765 ppm2      8.724 CV     1
 ASSI {  182}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.32253E-02 ppm1      8.049 ppm2      8.826 CV     1
 ASSI {  184}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.800     1.800     1.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.15484E-02 ppm1      8.032 ppm2      3.278 CV     1
 ASSI {  186}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.100     1.200     1.200 peak   186 spectrum    1 weight  0.10000E+01 volume  0.19620E-02 ppm1      7.979 ppm2      2.759 CV     1
 OR {  186}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  188}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.200     1.300     1.300 peak   188 spectrum    1 weight  0.10000E+01 volume  0.24806E-02 ppm1      8.049 ppm2      3.036 CV     1
 ASSI {  189}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     1.000     1.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.23114E-02 ppm1      7.983 ppm2      4.589 CV     1
 ASSI {  192}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.40933E-02 ppm1      7.963 ppm2      4.279 CV     1
 ASSI {  193}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   193 spectrum    1 weight  0.10000E+01 volume  0.25552E-02 ppm1      8.049 ppm2      4.205 CV     1
 ASSI {  192}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.000     0.900     0.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.40933E-02 ppm1      7.963 ppm2      4.215 CV     1
 ASSI {  195}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
      3.500     1.500     1.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.75019E-03 ppm1      7.966 ppm2      4.030 CV     1
 ASSI {  196}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      3.100     1.200     1.200 peak   196 spectrum    1 weight  0.10000E+01 volume  0.15676E-02 ppm1      7.983 ppm2      3.858 CV     1
 ASSI {  197}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.300     1.400     1.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.36469E-02 ppm1      7.983 ppm2      2.959 CV     1
 ASSI {  198}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.500     2.500     3.500 peak   198 spectrum    1 weight  0.10000E+01 volume  0.23375E-02 ppm1      7.984 ppm2      2.828 CV     1
 ASSI {  200}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.37759E-02 ppm1      8.049 ppm2      2.315 CV     1
 ASSI {  204}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak   204 spectrum    1 weight  0.10000E+01 volume  0.42582E-02 ppm1      8.050 ppm2      1.574 CV     1
 ASSI {  210}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.200     0.600     0.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.85950E-02 ppm1      9.059 ppm2      4.426 CV     1
 ASSI {  215}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.900     1.000     1.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.23743E-02 ppm1      8.399 ppm2      3.880 CV     1
 ASSI {  217}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.100     1.200     1.200 peak   217 spectrum    1 weight  0.10000E+01 volume  0.29065E-02 ppm1      9.060 ppm2      2.983 CV     1
 ASSI {  218}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.000     1.100     1.100 peak   218 spectrum    1 weight  0.10000E+01 volume  0.20087E-02 ppm1      9.060 ppm2      2.855 CV     1
 ASSI {  219}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      4.200     2.200     1.800 peak   219 spectrum    1 weight  0.10000E+01 volume  0.10288E-02 ppm1      9.060 ppm2      2.446 CV     1
 ASSI {  220}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.600     0.900     0.900 peak   220 spectrum    1 weight  0.10000E+01 volume  0.24911E-02 ppm1      8.725 ppm2      2.404 CV     1
 ASSI {  221}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      3.800     1.800     1.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.16437E-02 ppm1      9.060 ppm2      2.382 CV     1
 ASSI {  223}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak   223 spectrum    1 weight  0.10000E+01 volume  0.36608E-02 ppm1      8.725 ppm2      2.154 CV     1
 ASSI {  225}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.400     0.700     0.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.45370E-02 ppm1      8.724 ppm2      1.571 CV     1
 ASSI {  226}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.500     0.800     0.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.57021E-02 ppm1      8.399 ppm2      1.507 CV     1
 ASSI {  227}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.000     2.000     2.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.21039E-02 ppm1      9.060 ppm2      1.133 CV     1
 ASSI {  228}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.200     1.300     1.300 peak   228 spectrum    1 weight  0.10000E+01 volume  0.17257E-02 ppm1      8.724 ppm2      1.121 CV     1
 ASSI {  231}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.600     2.600     1.400 peak   231 spectrum    1 weight  0.10000E+01 volume  0.98119E-03 ppm1      8.400 ppm2      0.339 CV     1
 ASSI {  232}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.700     2.800     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.94300E-03 ppm1      8.399 ppm2      0.232 CV     1
 ASSI {  233}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.500     1.500 peak   233 spectrum    1 weight  0.10000E+01 volume  0.12926E-02 ppm1      8.177 ppm2      4.371 CV     1
 ASSI {  234}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.300     1.400     1.400 peak   234 spectrum    1 weight  0.10000E+01 volume  0.10377E-02 ppm1      8.175 ppm2      4.332 CV     1
 ASSI {  238}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak   238 spectrum    1 weight  0.10000E+01 volume  0.38482E-02 ppm1      7.766 ppm2      2.402 CV     1
 ASSI {  240}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.39698E-02 ppm1      8.176 ppm2      1.877 CV     1
 ASSI {  241}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.500     0.800     0.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.45718E-02 ppm1      7.765 ppm2      1.664 CV     1
 ASSI {  242}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.600     0.900     0.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.32210E-02 ppm1      8.175 ppm2      1.583 CV     1
 ASSI {  243}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.200     2.200     1.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.15114E-02 ppm1      8.177 ppm2      1.347 CV     1
 ASSI {  245}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      4.300     2.300     1.700 peak   245 spectrum    1 weight  0.10000E+01 volume  0.12089E-02 ppm1      7.766 ppm2      1.020 CV     1
 OR {  245}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  246}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.400     2.400     1.600 peak   246 spectrum    1 weight  0.10000E+01 volume  0.88949E-03 ppm1      8.177 ppm2      0.984 CV     1
 ASSI {  250}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.30221E-02 ppm1      7.891 ppm2      4.541 CV     1
 ASSI {  252}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.22828E-02 ppm1      8.465 ppm2      4.362 CV     1
 ASSI {  255}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.600     0.900     0.900 peak   255 spectrum    1 weight  0.10000E+01 volume  0.75383E-02 ppm1      8.465 ppm2      4.052 CV     1
 ASSI {  256}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.47320E-02 ppm1      8.464 ppm2      3.926 CV     1
 ASSI {  257}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.300     1.400     1.400 peak   257 spectrum    1 weight  0.10000E+01 volume  0.35403E-02 ppm1      7.891 ppm2      3.030 CV     1
 ASSI {  260}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.200     1.300     1.300 peak   260 spectrum    1 weight  0.10000E+01 volume  0.21042E-02 ppm1      8.460 ppm2      2.595 CV     1
 ASSI {  263}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.500     0.800     0.800 peak   263 spectrum    1 weight  0.10000E+01 volume  0.83583E-02 ppm1      8.464 ppm2      2.061 CV     1
 ASSI {  264}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.800     1.000     1.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.39413E-02 ppm1      8.464 ppm2      1.991 CV     1
 ASSI {  269}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      2.300     0.700     0.700 peak   269 spectrum    1 weight  0.10000E+01 volume  0.76585E-02 ppm1      8.465 ppm2      1.116 CV     1
 ASSI {  270}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.500     1.500     1.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.46690E-02 ppm1      8.464 ppm2      1.029 CV     1
 ASSI {  274}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.200     1.300     1.300 peak   274 spectrum    1 weight  0.10000E+01 volume  0.14387E-02 ppm1      8.825 ppm2      4.616 CV     1
 ASSI {  275}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.28463E-02 ppm1      8.240 ppm2      4.614 CV     1
 ASSI {  276}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.500     1.500     1.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.14245E-02 ppm1      8.273 ppm2      4.446 CV     1
 ASSI {  282}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.400     1.400 peak   282 spectrum    1 weight  0.10000E+01 volume  0.99176E-03 ppm1      8.828 ppm2      4.204 CV     1
 ASSI {  289}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.28895E-02 ppm1      8.303 ppm2      3.742 CV     1
 ASSI {  290}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.27182E-02 ppm1      8.826 ppm2      3.549 CV     1
 ASSI {  291}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      3.400     1.400     1.400 peak   291 spectrum    1 weight  0.10000E+01 volume  0.18357E-02 ppm1      8.241 ppm2      2.785 CV     1
 ASSI {  293}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.000     1.100     1.100 peak   293 spectrum    1 weight  0.10000E+01 volume  0.23397E-02 ppm1      8.245 ppm2      2.377 CV     1
 ASSI {  294}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.600     0.800     0.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.24891E-02 ppm1      8.825 ppm2      2.312 CV     1
 ASSI {  295}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.300     0.600     0.600 peak   295 spectrum    1 weight  0.10000E+01 volume  0.12279E-01 ppm1      8.243 ppm2      2.267 CV     1
 ASSI {  296}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.200     1.300     1.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.41667E-02 ppm1      8.149 ppm2      2.186 CV     1
 ASSI {  297}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.29920E-02 ppm1      8.247 ppm2      2.141 CV     1
 ASSI {  298}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.400     0.700     0.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.64441E-02 ppm1      8.827 ppm2      2.042 CV     1
 OR {  298}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  300}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.600     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.35891E-02 ppm1      7.719 ppm2      2.021 CV     1
 ASSI {  302}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.100     0.600     0.600 peak   302 spectrum    1 weight  0.10000E+01 volume  0.81261E-02 ppm1      8.304 ppm2      1.923 CV     1
 ASSI {  303}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.700     1.700     1.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.92381E-03 ppm1      8.826 ppm2      1.900 CV     1
 ASSI {  304}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      2.200     0.600     0.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.46090E-02 ppm1      8.274 ppm2      1.850 CV     1
 ASSI {  306}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.600     1.600     1.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.11448E-02 ppm1      8.148 ppm2      1.726 CV     1
 ASSI {  315}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      3.000     1.100     1.100 peak   315 spectrum    1 weight  0.10000E+01 volume  0.22007E-02 ppm1      8.304 ppm2      1.267 CV     1
 ASSI {  330}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.500     0.800     0.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.28706E-02 ppm1      8.881 ppm2      2.763 CV     1
 ASSI {  331}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.700     0.900     0.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.21268E-02 ppm1      8.882 ppm2      2.474 CV     1
 ASSI {  332}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.800     1.000     1.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.45343E-02 ppm1      8.882 ppm2      2.355 CV     1
 ASSI {  333}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.500     1.500     1.500 peak   333 spectrum    1 weight  0.10000E+01 volume  0.18314E-02 ppm1      8.882 ppm2      2.210 CV     1
 ASSI {  336}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.25524E-02 ppm1      8.383 ppm2      1.432 CV     1
 ASSI {  337}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.300     1.300     1.300 peak   337 spectrum    1 weight  0.10000E+01 volume  0.16674E-02 ppm1      8.384 ppm2      1.118 CV     1
 ASSI {  338}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.800     1.000     1.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.51593E-02 ppm1      8.486 ppm2      2.835 CV     1
 OR {  338}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  341}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.700     1.700     1.700 peak   341 spectrum    1 weight  0.10000E+01 volume  0.14482E-02 ppm1      8.741 ppm2      2.514 CV     1
 ASSI {  342}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.300     1.400     1.400 peak   342 spectrum    1 weight  0.10000E+01 volume  0.13799E-02 ppm1      7.215 ppm2      5.049 CV     1
 ASSI {  344}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.24136E-02 ppm1      7.215 ppm2      4.334 CV     1
 ASSI {  345}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.800     1.800     1.800 peak   345 spectrum    1 weight  0.10000E+01 volume  0.86859E-03 ppm1      7.215 ppm2      4.047 CV     1
 ASSI {  346}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      2.800     0.500     0.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.80244E-02 ppm1      7.215 ppm2      1.779 CV     1
 ASSI {  348}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.300     1.300     1.300 peak   348 spectrum    1 weight  0.10000E+01 volume  0.18988E-02 ppm1      7.214 ppm2      0.950 CV     1
 ASSI {  357}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.65238E-03 ppm1      8.725 ppm2      7.984 CV     1
 ASSI {  377}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.76763E-02 ppm1      9.421 ppm2      4.361 CV     1
 ASSI {  381}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.200     1.300     1.300 peak   381 spectrum    1 weight  0.10000E+01 volume  0.25924E-02 ppm1      9.420 ppm2      1.476 CV     1
 ASSI {  384}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      3.300     1.400     1.400 peak   384 spectrum    1 weight  0.10000E+01 volume  0.15093E-02 ppm1      9.420 ppm2      0.882 CV     1
 ASSI {  385}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.200     2.200     1.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.60239E-03 ppm1      9.422 ppm2      0.793 CV     1
 ASSI {  386}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      4.300     2.300     1.700 peak   386 spectrum    1 weight  0.10000E+01 volume  0.12231E-02 ppm1      9.420 ppm2      0.632 CV     1
 OR {  386}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  387}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.800     1.800     1.800 peak   387 spectrum    1 weight  0.10000E+01 volume  0.55211E-03 ppm1      8.237 ppm2      2.366 CV     1
 ASSI {  388}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB  ))
      2.700     0.900     0.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.31681E-02 ppm1      8.236 ppm2      1.820 CV     1
 ASSI {  389}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG11))
      3.200     1.300     1.300 peak   389 spectrum    1 weight  0.10000E+01 volume  0.14148E-02 ppm1      8.236 ppm2      1.490 CV     1
 ASSI {  390}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
      3.600     1.700     1.700 peak   390 spectrum    1 weight  0.10000E+01 volume  0.11488E-02 ppm1      8.238 ppm2      1.135 CV     1
 ASSI {  399}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.000     1.100     1.100 peak   399 spectrum    1 weight  0.10000E+01 volume  0.20827E-02 ppm1      8.155 ppm2      1.479 CV     1
 ASSI {  400}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.400     1.400     1.400 peak   400 spectrum    1 weight  0.10000E+01 volume  0.21706E-02 ppm1      8.154 ppm2      1.378 CV     1
 ASSI {  401}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      4.100     2.100     1.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.11680E-02 ppm1      8.153 ppm2      0.964 CV     1
 ASSI {  402}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      4.200     2.200     1.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.11125E-02 ppm1      8.154 ppm2      0.883 CV     1
 ASSI {  407}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak   407 spectrum    1 weight  0.10000E+01 volume  0.64181E-02 ppm1      7.823 ppm2      1.852 CV     1
 ASSI {  409}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
      3.600     1.600     1.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.19213E-02 ppm1      7.822 ppm2      1.736 CV     1
 ASSI {  411}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.800     0.700     0.700 peak   411 spectrum    1 weight  0.10000E+01 volume  0.89976E-02 ppm1      7.620 ppm2      1.628 CV     1
 ASSI {  415}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      4.300     2.300     1.700 peak   415 spectrum    1 weight  0.10000E+01 volume  0.83854E-03 ppm1      7.822 ppm2      1.048 CV     1
 OR {  415}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI {  416}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.600     2.600     1.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.76788E-03 ppm1      7.620 ppm2      0.971 CV     1
 ASSI {  417}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.500     1.900     1.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.54597E-03 ppm1      7.617 ppm2      0.870 CV     1
 ASSI {  422}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      2.400     0.700     0.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.69423E-02 ppm1      8.702 ppm2      1.456 CV     1
 ASSI {  424}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.100     1.200     1.200 peak   424 spectrum    1 weight  0.10000E+01 volume  0.33932E-02 ppm1      8.448 ppm2      1.463 CV     1
 ASSI {  426}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.500     1.500     1.500 peak   426 spectrum    1 weight  0.10000E+01 volume  0.19928E-02 ppm1      8.591 ppm2      1.262 CV     1
 ASSI {  432}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      3.700     1.700     1.700 peak   432 spectrum    1 weight  0.10000E+01 volume  0.13535E-02 ppm1      8.449 ppm2      0.693 CV     1
 ASSI {  438}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.600     0.800     0.800 peak   438 spectrum    1 weight  0.10000E+01 volume  0.40248E-02 ppm1      8.032 ppm2      1.525 CV     1
 ASSI {  443}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.300     2.300     1.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.56024E-03 ppm1      7.822 ppm2      3.285 CV     1
 ASSI {  444}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.700     2.700     1.300 peak   444 spectrum    1 weight  0.10000E+01 volume  0.38008E-03 ppm1      7.823 ppm2      2.853 CV     1
 ASSI {  445}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.300     1.300     1.300 peak   445 spectrum    1 weight  0.10000E+01 volume  0.36036E-02 ppm1      8.591 ppm2      2.875 CV     1
 ASSI {  446}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.700     1.700     1.700 peak   446 spectrum    1 weight  0.10000E+01 volume  0.82915E-03 ppm1      8.449 ppm2      2.875 CV     1
 ASSI {  448}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.900     1.900     1.900 peak   448 spectrum    1 weight  0.10000E+01 volume  0.89798E-03 ppm1      8.449 ppm2      2.759 CV     1
 ASSI {  449}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.500     1.500     1.500 peak   449 spectrum    1 weight  0.10000E+01 volume  0.70549E-03 ppm1      8.032 ppm2      2.953 CV     1
 ASSI {  513}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.300     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.73477E-02 ppm1      8.235 ppm2      4.815 CV     1
 ASSI {  515}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak   515 spectrum    1 weight  0.10000E+01 volume  0.16064E-02 ppm1      8.235 ppm2      4.591 CV     1
 ASSI {  516}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HD1 ))
      5.000     3.100     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.25262E-03 ppm1      8.236 ppm2      4.032 CV     1
 ASSI {  517}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      4.100     2.100     1.900 peak   517 spectrum    1 weight  0.10000E+01 volume  0.95985E-03 ppm1      8.235 ppm2      3.774 CV     1
 OR {  517}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  578}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak   578 spectrum    1 weight  0.10000E+01 volume  0.73337E-03 ppm1      8.155 ppm2      9.419 CV     1
 ASSI {  626}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.300     2.300     1.700 peak   626 spectrum    1 weight  0.10000E+01 volume  0.26246E-03 ppm1      7.622 ppm2      8.873 CV     1
 ASSI {  633}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.800     1.800     1.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.77396E-03 ppm1      7.824 ppm2      8.392 CV     1
 ASSI {  637}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.600     0.900     0.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.32136E-02 ppm1      7.621 ppm2      8.376 CV     1
 ASSI {  640}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.100     0.500     0.500 peak   640 spectrum    1 weight  0.10000E+01 volume  0.45463E-02 ppm1      7.620 ppm2      8.277 CV     1
 ASSI {  675}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.900     1.900     1.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.41996E-03 ppm1      7.618 ppm2      4.897 CV     1
 ASSI {  676}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.900     1.900     1.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.41996E-03 ppm1      7.840 ppm2      4.469 CV     1
 ASSI {  677}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.700     0.900     0.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.33721E-02 ppm1      7.620 ppm2      4.453 CV     1
 ASSI {  681}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.700     2.700     1.300 peak   681 spectrum    1 weight  0.10000E+01 volume  0.49371E-03 ppm1      7.620 ppm2      4.277 CV     1
 ASSI {  682}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.38728E-02 ppm1      7.822 ppm2      4.248 CV     1
 ASSI {  683}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      5.300     3.500     0.700 peak   683 spectrum    1 weight  0.10000E+01 volume  0.39804E-03 ppm1      7.620 ppm2      4.219 CV     1
 ASSI {  684}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
      2.700     0.900     0.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.30013E-02 ppm1      7.621 ppm2      4.024 CV     1
 OR {  684}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
 ASSI {  686}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.300     1.300     1.300 peak   686 spectrum    1 weight  0.10000E+01 volume  0.11990E-02 ppm1      7.620 ppm2      3.741 CV     1
 ASSI {  747}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak   747 spectrum    1 weight  0.10000E+01 volume  0.22766E-02 ppm1      8.591 ppm2      4.710 CV     1
 ASSI {  748}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.700     0.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.74799E-02 ppm1      8.448 ppm2      4.711 CV     1
 ASSI {  752}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.700     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.24843E-02 ppm1      8.701 ppm2      4.400 CV     1
 ASSI {  754}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.91641E-02 ppm1      8.592 ppm2      4.330 CV     1
 ASSI {  761}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   761 spectrum    1 weight  0.10000E+01 volume  0.30761E-02 ppm1      8.704 ppm2      3.922 CV     1
 ASSI {  806}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   806 spectrum    1 weight  0.10000E+01 volume  0.14008E-02 ppm1      8.032 ppm2      4.749 CV     1
 ASSI {  808}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.94032E-02 ppm1      8.032 ppm2      4.588 CV     1
 ASSI {  809}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.300     1.300 peak   809 spectrum    1 weight  0.10000E+01 volume  0.17546E-02 ppm1      7.842 ppm2      4.555 CV     1
 ASSI {  813}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.33275E-02 ppm1      7.842 ppm2      4.362 CV     1
 ASSI {  814}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.400     2.400     1.600 peak   814 spectrum    1 weight  0.10000E+01 volume  0.11489E-02 ppm1      8.021 ppm2      4.284 CV     1
 ASSI {  816}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      4.200     2.200     1.800 peak   816 spectrum    1 weight  0.10000E+01 volume  0.46383E-03 ppm1      7.841 ppm2      4.203 CV     1
 ASSI {  817}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.400     1.500     1.500 peak   817 spectrum    1 weight  0.10000E+01 volume  0.12799E-02 ppm1      7.843 ppm2      4.129 CV     1
 ASSI {  819}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.82301E-03 ppm1      7.842 ppm2      3.923 CV     1
 ASSI {  825}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.26276E-02 ppm1      8.660 ppm2      4.848 CV     1
 ASSI {  826}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak   826 spectrum    1 weight  0.10000E+01 volume  0.14763E-02 ppm1      8.370 ppm2      4.911 CV     1
 ASSI {  827}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   827 spectrum    1 weight  0.10000E+01 volume  0.75021E-02 ppm1      8.049 ppm2      4.848 CV     1
 ASSI {  828}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.800     2.800     3.200 peak   828 spectrum    1 weight  0.10000E+01 volume  0.55301E-03 ppm1      7.962 ppm2      4.900 CV     1
 ASSI {  832}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.200     2.200     1.800 peak   832 spectrum    1 weight  0.10000E+01 volume  0.59223E-03 ppm1      7.213 ppm2      2.368 CV     1
 ASSI {  833}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.200     0.600     0.600 peak   833 spectrum    1 weight  0.10000E+01 volume  0.43017E-02 ppm1      7.215 ppm2      8.026 CV     1
 ASSI {  837}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.56128E-03 ppm1      7.219 ppm2      8.434 CV     1
 ASSI {  838}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.400     1.400 peak   838 spectrum    1 weight  0.10000E+01 volume  0.21503E-02 ppm1      7.445 ppm2      4.537 CV     1
 ASSI {  840}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.400     0.700     0.700 peak   840 spectrum    1 weight  0.10000E+01 volume  0.48262E-02 ppm1      7.443 ppm2      2.193 CV     1
 ASSI {  841}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.900     1.100     1.100 peak   841 spectrum    1 weight  0.10000E+01 volume  0.13082E-02 ppm1      7.441 ppm2      2.082 CV     1
 ASSI {  844}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      2.500     0.800     0.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.50941E-02 ppm1      7.442 ppm2      0.985 CV     1
 OR {  844}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  845}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.800     1.000     1.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.47043E-02 ppm1      7.526 ppm2      1.633 CV     1
 ASSI {  846}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      2.400     0.700     0.700 peak   846 spectrum    1 weight  0.10000E+01 volume  0.43795E-02 ppm1      7.530 ppm2      1.212 CV     1
 ASSI {  849}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.000     1.100     1.100 peak   849 spectrum    1 weight  0.10000E+01 volume  0.16429E-02 ppm1      7.527 ppm2      0.792 CV     1
 ASSI {  851}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.000     1.100     1.100 peak   851 spectrum    1 weight  0.10000E+01 volume  0.30777E-02 ppm1      7.587 ppm2      3.074 CV     1
 ASSI {  852}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.800     1.000     1.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.25377E-02 ppm1      7.592 ppm2      3.004 CV     1
 ASSI {  854}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.600     1.600     1.600 peak   854 spectrum    1 weight  0.10000E+01 volume  0.12904E-02 ppm1      7.596 ppm2      2.507 CV     1
 OR {  854}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  855}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.900     1.900     1.900 peak   855 spectrum    1 weight  0.10000E+01 volume  0.11626E-02 ppm1      7.761 ppm2      2.546 CV     1
 ASSI {  856}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.900     1.900     1.900 peak   856 spectrum    1 weight  0.10000E+01 volume  0.11626E-02 ppm1      7.761 ppm2      2.546 CV     1
 ASSI {  857}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.900     1.100     1.100 peak   857 spectrum    1 weight  0.10000E+01 volume  0.16745E-02 ppm1      7.761 ppm2      2.276 CV     1
 ASSI {  858}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.900     1.100     1.100 peak   858 spectrum    1 weight  0.10000E+01 volume  0.38854E-02 ppm1      7.761 ppm2      2.127 CV     1
 ASSI {  859}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
      3.200     1.300     1.300 peak   859 spectrum    1 weight  0.10000E+01 volume  0.29490E-02 ppm1      7.761 ppm2      1.601 CV     1
 ASSI {  865}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.600     1.600     1.600 peak   865 spectrum    1 weight  0.10000E+01 volume  0.12945E-02 ppm1      7.526 ppm2      0.477 CV     1
 ASSI {  866}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.100     1.200     1.200 peak   866 spectrum    1 weight  0.10000E+01 volume  0.10068E-02 ppm1      7.764 ppm2      2.276 CV     1
 ASSI {  867}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.900     1.100     1.100 peak   867 spectrum    1 weight  0.10000E+01 volume  0.25517E-02 ppm1      8.176 ppm2      2.192 CV     1
 ASSI {  869}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.400     2.400     1.600 peak   869 spectrum    1 weight  0.10000E+01 volume  0.48895E-03 ppm1      8.371 ppm2      1.943 CV     1
 ASSI {  870}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.000     2.000     2.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.81447E-03 ppm1      8.375 ppm2      1.838 CV     1
 ASSI {  871}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.000     2.000     2.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.65542E-03 ppm1      8.371 ppm2      1.624 CV     1
 ASSI {  872}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      4.700     2.700     1.300 peak   872 spectrum    1 weight  0.10000E+01 volume  0.11747E-02 ppm1      8.738 ppm2      2.091 CV     1
 ASSI {  873}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.26916E-02 ppm1      8.371 ppm2      3.084 CV     1
 ASSI {  875}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.700     1.700     1.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.15704E-02 ppm1      8.371 ppm2      3.540 CV     1
 ASSI {  876}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.700     0.900     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.56879E-02 ppm1      8.661 ppm2      3.884 CV     1
 ASSI {  877}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.800     1.000     1.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.33930E-02 ppm1      8.661 ppm2      4.248 CV     1
 ASSI {  886}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      3.000     1.100     1.100 peak   886 spectrum    1 weight  0.10000E+01 volume  0.16538E-02 ppm1      8.371 ppm2      7.169 CV     1
 ASSI {  891}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.200     1.300     1.300 peak   891 spectrum    1 weight  0.10000E+01 volume  0.34266E-02 ppm1      8.124 ppm2      1.845 CV     1
 ASSI {  892}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.300     0.700     0.700 peak   892 spectrum    1 weight  0.10000E+01 volume  0.79091E-02 ppm1      8.124 ppm2      1.525 CV     1
 ASSI {  893}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.300     1.400     1.400 peak   893 spectrum    1 weight  0.10000E+01 volume  0.47438E-02 ppm1      7.978 ppm2      1.918 CV     1
 ASSI {  894}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.600     0.800     0.800 peak   894 spectrum    1 weight  0.10000E+01 volume  0.51275E-02 ppm1      7.978 ppm2      2.019 CV     1
 ASSI {  895}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak   895 spectrum    1 weight  0.10000E+01 volume  0.12002E-02 ppm1      7.454 ppm2      4.913 CV     1
 ASSI {  896}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.300     1.300 peak   896 spectrum    1 weight  0.10000E+01 volume  0.16260E-02 ppm1      7.455 ppm2      4.423 CV     1
 ASSI {  897}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.200     1.700     1.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.13194E-02 ppm1      7.455 ppm2      2.984 CV     1
 ASSI {  898}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.400     1.600     1.600 peak   898 spectrum    1 weight  0.10000E+01 volume  0.99907E-03 ppm1      7.454 ppm2      2.859 CV     1
 ASSI {  899}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      3.700     1.700     1.700 peak   899 spectrum    1 weight  0.10000E+01 volume  0.83030E-03 ppm1      7.456 ppm2      2.603 CV     1
 ASSI {  901}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.600     1.600     1.600 peak   901 spectrum    1 weight  0.10000E+01 volume  0.31736E-02 ppm1      7.455 ppm2      2.453 CV     1
 ASSI {  902}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.18639E-02 ppm1      7.455 ppm2      2.273 CV     1
 ASSI {  903}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      3.500     1.600     1.600 peak   903 spectrum    1 weight  0.10000E+01 volume  0.22746E-02 ppm1      7.455 ppm2      1.128 CV     1
 ASSI {  904}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.000     1.200     1.200 peak   904 spectrum    1 weight  0.10000E+01 volume  0.21904E-02 ppm1      7.455 ppm2      1.039 CV     1
 ASSI {  905}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB1 ))
      3.400     1.500     1.500 peak   905 spectrum    1 weight  0.10000E+01 volume  0.29761E-02 ppm1      7.662 ppm2      3.082 CV     1
 ASSI {  908}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB2 ))
      3.400     1.500     1.500 peak   908 spectrum    1 weight  0.10000E+01 volume  0.24014E-02 ppm1      7.661 ppm2      2.771 CV     1
 ASSI {  915}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB2 ))
      4.100     2.100     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.69730E-03 ppm1      7.383 ppm2      1.374 CV     1
 ASSI {  917}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 78   and name HG2%)
      3.100     1.200     1.200 peak   917 spectrum    1 weight  0.10000E+01 volume  0.14147E-02 ppm1      7.662 ppm2      0.875 CV     1
 ASSI {  919}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 75   and name HD1%)
      3.000     1.100     1.100 peak   919 spectrum    1 weight  0.10000E+01 volume  0.18947E-02 ppm1      7.662 ppm2      0.791 CV     1
 ASSI {  922}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.700     1.700     1.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.66632E-03 ppm1      8.240 ppm2      4.191 CV     1
 ASSI {  923}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      2.400     0.700     0.700 peak   923 spectrum    1 weight  0.10000E+01 volume  0.97080E-02 ppm1      8.241 ppm2      4.056 CV     1
 OR {  923}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  924}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.700     1.700     1.700 peak   924 spectrum    1 weight  0.10000E+01 volume  0.88149E-03 ppm1      8.242 ppm2      3.928 CV     1
 ASSI {  925}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.000     1.100     1.100 peak   925 spectrum    1 weight  0.10000E+01 volume  0.26661E-02 ppm1      8.241 ppm2      1.523 CV     1
 ASSI {  927}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.400     1.400 peak   927 spectrum    1 weight  0.10000E+01 volume  0.11672E-02 ppm1      7.739 ppm2      4.357 CV     1
 ASSI {  928}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      3.000     1.100     1.100 peak   928 spectrum    1 weight  0.10000E+01 volume  0.34787E-02 ppm1      7.738 ppm2      4.245 CV     1
 ASSI {  929}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      2.400     0.800     0.800 peak   929 spectrum    1 weight  0.10000E+01 volume  0.52455E-02 ppm1      7.738 ppm2      3.856 CV     1
 ASSI {  930}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.400     1.500     1.500 peak   930 spectrum    1 weight  0.10000E+01 volume  0.77870E-03 ppm1      7.735 ppm2      2.409 CV     1
 ASSI {  951}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      3.900     1.900     1.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.92213E-03 ppm1      7.946 ppm2      0.952 CV     1
 ASSI {  952}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.500     1.500 peak   952 spectrum    1 weight  0.10000E+01 volume  0.76435E-03 ppm1      7.947 ppm2      2.806 CV     1
 ASSI {  953}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.500     1.600     1.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.97196E-03 ppm1      7.950 ppm2      4.707 CV     1
 ASSI {  954}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.600     1.600     1.600 peak   954 spectrum    1 weight  0.10000E+01 volume  0.72641E-03 ppm1      7.945 ppm2      4.367 CV     1
 ASSI {  955}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
      2.300     0.600     0.600 peak   955 spectrum    1 weight  0.10000E+01 volume  0.10689E-01 ppm1      7.948 ppm2      4.093 CV     1
 OR {  955}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {  959}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.300     2.400     1.700 peak   959 spectrum    1 weight  0.10000E+01 volume  0.41062E-03 ppm1      8.487 ppm2      4.335 CV     1
 ASSI {  962}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      2.400     0.700     0.700 peak   962 spectrum    1 weight  0.10000E+01 volume  0.96872E-02 ppm1      8.491 ppm2      4.067 CV     1
 OR {  962}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 ASSI {  964}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.300     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.14756E-02 ppm1      8.492 ppm2      2.834 CV     1
 OR {  964}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  977}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.100     1.100 peak   977 spectrum    1 weight  0.10000E+01 volume  0.19679E-02 ppm1      7.502 ppm2      4.649 CV     1
 ASSI {  983}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   983 spectrum    1 weight  0.10000E+01 volume  0.13687E-02 ppm1      8.074 ppm2      4.214 CV     1
 ASSI {  992}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.800     1.800     1.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.16205E-02 ppm1      8.074 ppm2      2.471 CV     1
 ASSI {  995}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.400     1.500     1.500 peak   995 spectrum    1 weight  0.10000E+01 volume  0.28312E-02 ppm1      8.073 ppm2      2.361 CV     1
 ASSI {  998}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.700     1.800     1.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.12709E-02 ppm1      7.501 ppm2      2.124 CV     1
 ASSI { 1001}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.500     0.800     0.800 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.47027E-02 ppm1      7.501 ppm2      0.939 CV     1
 OR { 1001}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1008}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.17725E-02 ppm1      8.028 ppm2      5.049 CV     1
 ASSI { 1015}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.200     1.200     1.200 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.32420E-02 ppm1      8.026 ppm2      2.364 CV     1
 ASSI { 1016}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      3.800     1.900     1.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.11991E-02 ppm1      8.028 ppm2      1.777 CV     1
 OR { 1016}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1017}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.300     1.400     1.400 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.15326E-02 ppm1      8.026 ppm2      1.631 CV     1
 ASSI { 1018}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.300     2.300     1.700 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.41429E-03 ppm1      8.029 ppm2      1.212 CV     1
 ASSI { 1021}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      5.100     3.200     0.900 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.46085E-03 ppm1      8.029 ppm2      0.950 CV     1
 ASSI { 1022}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.700     2.800     1.300 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.38432E-03 ppm1      8.025 ppm2      0.786 CV     1
 ASSI { 1028}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.700     0.900     0.900 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.41456E-02 ppm1      8.567 ppm2      4.247 CV     1
 ASSI { 1030}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.600     1.600     1.600 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.14410E-02 ppm1      8.568 ppm2      4.045 CV     1
 ASSI { 1032}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.700     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.42771E-02 ppm1      8.567 ppm2      3.881 CV     1
 ASSI { 1039}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.77311E-03 ppm1      8.383 ppm2      4.904 CV     1
 ASSI { 1041}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.400     1.400     1.400 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.10165E-02 ppm1      8.384 ppm2      4.268 CV     1
 ASSI { 1042}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      2.400     0.700     0.700 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.90940E-02 ppm1      8.384 ppm2      4.025 CV     1
 OR { 1042}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI { 1044}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.600     1.600     1.600 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.10589E-02 ppm1      8.386 ppm2      3.081 CV     1
 ASSI { 1045}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.400     1.400     1.400 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.10092E-02 ppm1      8.383 ppm2      2.769 CV     1
 ASSI { 1058}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.000     1.100     1.100 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.35050E-02 ppm1      8.928 ppm2      4.747 CV     1
 ASSI { 1060}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.600     0.800     0.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.51842E-02 ppm1      8.929 ppm2      4.196 CV     1
 ASSI { 1060}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1  ))
      2.600     0.800     0.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.51842E-02 ppm1      8.929 ppm2      4.196 CV     1
 ASSI { 1062}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.300     0.700     0.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.51363E-02 ppm1      8.929 ppm2      3.281 CV     1
 ASSI { 1070}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.200     0.600     0.600 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.81885E-02 ppm1      9.046 ppm2      4.541 CV     1
 ASSI { 1071}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.600     1.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.66536E-03 ppm1      9.045 ppm2      4.773 CV     1
 ASSI { 1072}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
      3.400     1.400     1.400 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.19908E-02 ppm1      9.047 ppm2      1.572 CV     1
 ASSI { 1079}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.700     1.700     1.700 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.22732E-02 ppm1      9.047 ppm2      3.032 CV     1
 ASSI { 1092}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.200     1.200 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.17673E-02 ppm1      8.065 ppm2      4.705 CV     1
 ASSI { 1103}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.400     2.500     1.600 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.10149E-02 ppm1      7.702 ppm2      0.892 CV     1
 ASSI { 1107}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.200     1.300     1.300 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.25386E-02 ppm1      8.250 ppm2      1.231 CV     1
 ASSI { 1109}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.300     1.300     1.300 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.14424E-02 ppm1      8.249 ppm2      2.239 CV     1
 ASSI { 1110}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.800     1.900     1.900 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.90414E-03 ppm1      8.248 ppm2      2.076 CV     1
 ASSI { 1112}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.100     1.200     1.200 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.19981E-02 ppm1      8.249 ppm2      4.367 CV     1
 ASSI { 1134}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.100     0.600     0.600 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.52354E-02 ppm1      8.844 ppm2      4.849 CV     1
 ASSI { 1135}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.39413E-02 ppm1      8.843 ppm2      4.772 CV     1
 ASSI { 1136}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.900     1.000     1.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.31191E-02 ppm1      8.844 ppm2      4.311 CV     1
 ASSI { 1137}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.26999E-02 ppm1      8.844 ppm2      3.864 CV     1
 ASSI { 1139}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.000     1.100     1.100 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.38775E-02 ppm1      8.844 ppm2      1.394 CV     1
 ASSI { 1140}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.800     1.800     1.800 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.63852E-03 ppm1      8.845 ppm2      0.875 CV     1
 ASSI { 1141}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.65424E-03 ppm1      8.840 ppm2      0.789 CV     1
 ASSI { 1157}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      3.300     1.300     1.300 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.24175E-02 ppm1      7.547 ppm2      2.384 CV     1
 ASSI { 1161}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      2.400     0.700     0.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.73989E-02 ppm1      7.547 ppm2      1.141 CV     1
 ASSI { 1165}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.21579E-02 ppm1      7.547 ppm2      4.426 CV     1
 ASSI { 1166}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA ))
      4.400     2.400     1.600 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.69379E-03 ppm1      7.549 ppm2      4.016 CV     1
 ASSI { 1167}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      3.800     1.800     1.800 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.60642E-03 ppm1      7.547 ppm2      3.895 CV     1
 ASSI { 1180}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.400     1.200     1.200 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.27814E-02 ppm1      7.759 ppm2      4.288 CV     1
 ASSI { 1183}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.100     1.200     1.200 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.27814E-02 ppm1      7.759 ppm2      4.288 CV     1
 ASSI { 1186}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.100     1.200     1.200 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.83682E-03 ppm1      7.831 ppm2      1.857 CV     1
 ASSI { 1196}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.400     1.400     1.400 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.33067E-02 ppm1      7.832 ppm2      2.451 CV     1
 ASSI { 1197}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.800     0.800 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.23099E-02 ppm1      7.832 ppm2      2.271 CV     1
 ASSI { 1199}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.800     0.800     0.800 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.87209E-02 ppm1      8.017 ppm2      2.025 CV     1
ASSI { 1200}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.700     1.700     1.700 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.23865E-02 ppm1      8.017 ppm2      1.918 CV     1
 ASSI { 1201}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.500     1.500     1.500 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.68881E-03 ppm1      8.016 ppm2      1.413 CV     1
 ASSI { 1202}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.500     1.500     1.500 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.79686E-03 ppm1      8.017 ppm2      3.554 CV     1
 ASSI { 1204}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     2.800     3.200 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.56413E-03 ppm1      8.019 ppm2      4.606 CV     1
 ASSI { 1205}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.500     1.500     1.500 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.86508E-03 ppm1      8.018 ppm2      4.530 CV     1
 ASSI { 1217}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.16354E-02 ppm1      7.800 ppm2      4.205 CV     1
 ASSI { 1218}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.900     1.000     1.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.26904E-02 ppm1      7.799 ppm2      4.129 CV     1
 ASSI { 1221}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.300     1.300 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.12491E-02 ppm1      7.798 ppm2      2.135 CV     1
 ASSI { 1222}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.100     1.100 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.18168E-02 ppm1      7.596 ppm2      9.632 CV     1
 ASSI { 1223}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.18025E-02 ppm1      7.591 ppm2      4.813 CV     1
 ASSI { 1225}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.600     2.600     1.400 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.11186E-02 ppm1      7.524 ppm2      4.847 CV     1
 ASSI { 1226}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.600     1.600     1.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.89373E-03 ppm1      7.525 ppm2      4.723 CV     1
 ASSI { 1230}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.500     1.500     1.500 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.87963E-03 ppm1      7.890 ppm2      9.042 CV     1
 ASSI { 1243}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      3.500     1.500     1.500 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.13958E-02 ppm1      8.382 ppm2      0.886 CV     1
 ASSI { 1251}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HE  ))
      3.900     1.900     1.900 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.15811E-02 ppm1      8.828 ppm2      7.327 CV     1
 ASSI { 1253}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.100     2.100     1.900 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.57380E-03 ppm1      8.830 ppm2      7.886 CV     1
 ASSI { 1264}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      4.700     2.800     1.300 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.46408E-03 ppm1      8.881 ppm2      0.944 CV     1
 ASSI { 1269}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      3.000     1.100     1.100 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.13690E-02 ppm1      9.022 ppm2      4.588 CV     1
 ASSI { 1271}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.900     1.900     1.900 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.10084E-02 ppm1      9.023 ppm2      4.043 CV     1
 ASSI { 1272}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.22717E-02 ppm1      9.022 ppm2      3.615 CV     1
 ASSI { 1273}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.13795E-02 ppm1      9.024 ppm2      3.323 CV     1
 ASSI { 1275}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.900     1.000     1.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.15954E-02 ppm1      9.023 ppm2      2.023 CV     1
 ASSI { 1276}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.700     0.900     0.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.29739E-02 ppm1      9.023 ppm2      1.863 CV     1
 ASSI { 1277}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.30374E-02 ppm1      9.023 ppm2      1.613 CV     1
 ASSI { 1281}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.100     2.100     1.900 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.11911E-02 ppm1      9.024 ppm2      0.479 CV     1
 ASSI { 1282}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.16917E-02 ppm1      9.023 ppm2      7.826 CV     1
 ASSI { 1291}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.400     1.400     1.400 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.11145E-02 ppm1      8.667 ppm2      4.383 CV     1
 ASSI { 1292}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.42987E-02 ppm1      8.666 ppm2      4.278 CV     1
 ASSI { 1293}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.200     1.300     1.300 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.19766E-02 ppm1      8.670 ppm2      4.182 CV     1
 ASSI { 1318}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.22488E-02 ppm1      8.543 ppm2      4.446 CV     1
 ASSI { 1319}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.700     0.900     0.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.27316E-02 ppm1      8.543 ppm2      2.820 CV     1
 ASSI { 1320}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.800     1.000     1.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.40766E-02 ppm1      8.543 ppm2      2.740 CV     1
 ASSI { 1321}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.200     1.200     1.200 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.13873E-02 ppm1      8.543 ppm2      2.085 CV     1
 ASSI { 1322}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.47052E-02 ppm1      8.479 ppm2      2.122 CV     1
 ASSI { 1324}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.200     1.300     1.300 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.26889E-02 ppm1      8.434 ppm2      1.934 CV     1
 ASSI { 1325}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.600     0.800     0.800 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.34261E-02 ppm1      8.434 ppm2      1.830 CV     1
 ASSI { 1326}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.300     1.400     1.400 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.16608E-02 ppm1      8.434 ppm2      1.629 CV     1
 ASSI { 1328}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.700     0.900     0.900 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.20804E-02 ppm1      8.434 ppm2      1.418 CV     1
 ASSI { 1329}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.600     1.600     1.600 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.23570E-02 ppm1      8.480 ppm2      0.953 CV     1
 ASSI { 1330}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.14997E-02 ppm1      8.434 ppm2      1.045 CV     1
 ASSI { 1331}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.300     1.400     1.400 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.18491E-02 ppm1      8.433 ppm2      0.948 CV     1
 ASSI { 1334}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.200     1.200     1.200 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.18986E-02 ppm1      8.250 ppm2      4.045 CV     1
 ASSI { 1335}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.100     1.200     1.200 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.24539E-02 ppm1      8.249 ppm2      3.969 CV     1
 ASSI { 1338}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.900     1.000     1.000 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.28444E-02 ppm1      8.107 ppm2      4.330 CV     1
 ASSI { 1339}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      2.900     1.100     1.100 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.33072E-02 ppm1      8.108 ppm2      4.223 CV     1
 ASSI { 1341}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      2.600     0.900     0.900 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.51223E-02 ppm1      8.108 ppm2      4.068 CV     1
 OR { 1341}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 ASSI { 1347}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.400     0.700     0.700 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.75202E-02 ppm1      8.433 ppm2      4.337 CV     1
 ASSI { 1348}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     1.300     1.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.11075E-02 ppm1      8.434 ppm2      4.733 CV     1
 ASSI { 1351}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.62595E-02 ppm1      7.455 ppm2      9.058 CV     1
 ASSI { 1363}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.000     1.100     1.100 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.21847E-02 ppm1      8.292 ppm2      3.935 CV     1
 ASSI { 1365}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.600     0.900     0.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.32138E-02 ppm1      8.292 ppm2      4.400 CV     1
 ASSI { 1368}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.100     2.100     1.900 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.45071E-03 ppm1      8.291 ppm2      4.034 CV     1
 ASSI { 1369}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.100     3.100     2.900 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.39194E-03 ppm1      8.297 ppm2      2.602 CV     1
 ASSI { 1370}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.600     2.700     1.400 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.47038E-03 ppm1      8.291 ppm2      2.444 CV     1
 ASSI { 1371}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.400     1.500     1.500 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.17815E-02 ppm1      8.291 ppm2      2.318 CV     1
 ASSI { 1372}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.000     1.100     1.100 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.17383E-02 ppm1      8.291 ppm2      2.187 CV     1
 ASSI { 1373}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.500     2.500     1.500 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.80414E-03 ppm1      8.291 ppm2      1.458 CV     1
 ASSI { 1374}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.000     2.000     2.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.12201E-02 ppm1      8.291 ppm2      1.114 CV     1
 ASSI { 1383}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.800     1.000     1.000 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.32434E-02 ppm1      8.480 ppm2      3.768 CV     1
 OR { 1383}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1385}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.900     1.100     1.100 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.20870E-02 ppm1      8.478 ppm2      4.817 CV     1
 ASSI { 1394}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.300     1.300     1.300 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.21478E-02 ppm1      9.628 ppm2      2.506 CV     1
 OR { 1394}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 1397}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.800     1.000     1.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.34127E-02 ppm1      9.627 ppm2      2.209 CV     1
 ASSI { 1402}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.800     1.800     1.800 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.94640E-03 ppm1      9.629 ppm2      3.541 CV     1
 ASSI { 1403}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.12437E-02 ppm1      9.628 ppm2      8.371 CV     1
 ASSI { 1408}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.56972E-02 ppm1      8.045 ppm2      4.019 CV     1
 ASSI { 1409}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      2.900     1.000     1.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.52510E-02 ppm1      8.043 ppm2      3.900 CV     1
 ASSI { 1410}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.000     1.100     1.100 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.25737E-02 ppm1      8.044 ppm2      1.337 CV     1
 ASSI { 1411}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.400     0.700     0.700 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.72058E-02 ppm1      7.842 ppm2      1.528 CV     1
 ASSI { 1413}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.700     0.900     0.900 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.34590E-02 ppm1      8.124 ppm2      4.288 CV     1
 ASSI { 1422}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.16189E-02 ppm1      7.386 ppm2      9.419 CV     1
 ASSI { 1424}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.900     2.900     3.100 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.98861E-02 ppm1      8.739 ppm2      4.531 CV     1
 ASSI { 1425}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.33941E-02 ppm1      8.738 ppm2      4.446 CV     1
 ASSI { 1426}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.100     1.200     1.200 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.31100E-02 ppm1      8.661 ppm2      2.891 CV     1
 ASSI { 1427}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.36712E-02 ppm1      8.661 ppm2      2.675 CV     1
 ASSI { 1428}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.300     1.400     1.400 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.18089E-02 ppm1      7.983 ppm2      6.978 CV     1
 ASSI { 1437}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.800     1.800     1.800 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.49484E-03 ppm1      8.385 ppm2      3.738 CV     1
 ASSI { 1444}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.300     2.300     1.700 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.54586E-03 ppm1      7.736 ppm2      6.988 CV     1
 ASSI { 1446}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.200     2.200     1.800 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.41089E-03 ppm1      7.455 ppm2      4.591 CV     1
 ASSI { 1447}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD2%)
      3.800     1.800     1.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.63444E-03 ppm1      7.384 ppm2      0.959 CV     1
 ASSI { 1448}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB2 ))
      4.200     2.200     1.800 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.51560E-03 ppm1      7.661 ppm2      1.376 CV     1
 ASSI { 1454}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      4.600     2.600     1.400 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.46279E-03 ppm1      8.381 ppm2      1.919 CV     1
 ASSI { 1455}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.500     2.600     1.500 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.72006E-03 ppm1      8.543 ppm2      0.983 CV     1
 ASSI { 1456}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.800     1.800     1.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.78171E-03 ppm1      8.544 ppm2      2.516 CV     1
 ASSI { 1457}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.800     1.800     1.800 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.63526E-03 ppm1      8.667 ppm2      1.375 CV     1
 ASSI { 1474}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB1 ))
      4.900     3.000     1.100 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.51700E-03 ppm1      7.873 ppm2      2.194 CV     1
 ASSI { 1475}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB2 ))
      5.100     3.200     0.900 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.42913E-03 ppm1      7.873 ppm2      1.830 CV     1
 ASSI { 1492}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB%  ))
      3.000     0.900     0.900 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.52628E-03 ppm1      4.449 ppm2      7.957 CV     1
 ASSI { 1493}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB%  ))
      2.800     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.52628E-03 ppm1      4.449 ppm2      7.957 CV     1
 ASSI { 1504}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB1 ))
      4.400     2.400     1.600 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.79163E-03 ppm1      9.066 ppm2      1.857 CV     1
 ASSI { 1506}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.000     2.000     2.000 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.11209E-02 ppm1      9.068 ppm2      1.634 CV     1
 ASSI { 1516}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.700     1.700     1.700 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.41960E-03 ppm1      7.192 ppm2      1.346 CV     1
 ASSI { 1517}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD1 ))
      3.600     1.600     1.600 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.58922E-03 ppm1      7.195 ppm2      3.083 CV     1
 ASSI { 1534}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.25785E-02 ppm1      7.969 ppm2      4.469 CV     1
 ASSI { 1544}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.100     1.100 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.35000E-02 ppm1      8.491 ppm2      4.725 CV     1
 ASSI { 1545}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.400     0.700     0.700 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.30615E-02 ppm1      8.064 ppm2      2.807 CV     1
 ASSI { 1548}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      3.800     1.800     1.800 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.68927E-03 ppm1      8.048 ppm2      1.207 CV     1
 ASSI { 1550}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.600     2.600     1.400 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.89529E-03 ppm1      8.052 ppm2      1.118 CV     1
 ASSI { 1551}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.200     2.200     1.800 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.12094E-02 ppm1      8.049 ppm2      1.039 CV     1
 ASSI { 1552}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      3.700     1.700     1.700 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.77467E-03 ppm1      8.049 ppm2      0.629 CV     1
 ASSI { 1554}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      4.100     2.100     1.900 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.61135E-03 ppm1      7.987 ppm2      3.539 CV     1
 ASSI { 1555}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.41549E-02 ppm1      8.371 ppm2      4.730 CV     1
 ASSI { 1557}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.24436E-02 ppm1      8.486 ppm2      4.731 CV     1
 ASSI { 1558}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      3.500     1.600     1.600 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.21033E-02 ppm1      7.978 ppm2      1.815 CV     1
 ASSI { 1560}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.700     1.700     1.700 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.13397E-02 ppm1      8.371 ppm2      1.040 CV     1
 ASSI { 1561}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.17061E-02 ppm1      8.049 ppm2      4.728 CV     1
 ASSI { 1562}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.95240E-03 ppm1      7.978 ppm2      4.484 CV     1
 ASSI { 1566}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.100     2.100     1.900 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.46323E-03 ppm1      9.022 ppm2      5.050 CV     1
 ASSI { 1567}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      4.600     2.600     1.400 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.36959E-03 ppm1      9.020 ppm2      4.913 CV     1
 ASSI { 1575}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD1 ))
      4.400     2.400     1.600 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.32577E-03 ppm1      8.436 ppm2      3.441 CV     1
 ASSI { 1576}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD2 ))
      4.200     2.200     1.800 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.49536E-03 ppm1      8.434 ppm2      3.341 CV     1
 ASSI { 1577}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      5.100     3.200     0.900 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.27608E-03 ppm1      9.021 ppm2      3.030 CV     1
 ASSI { 1578}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.400     1.400     1.400 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.43212E-03 ppm1      9.026 ppm2      2.921 CV     1
 ASSI { 1595}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.700     1.700     1.700 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.65947E-03 ppm1      8.049 ppm2      4.547 CV     1
 ASSI { 1598}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      4.200     1.700     1.700 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.65947E-03 ppm1      8.049 ppm2      4.547 CV     1
 ASSI { 1605}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.900     1.900     1.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.54006E-03 ppm1      8.177 ppm2      4.542 CV     1
 ASSI { 1612}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      4.600     2.700     1.400 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.44521E-03 ppm1      8.124 ppm2      1.026 CV     1
 OR { 1612}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1613}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      5.500     3.700     0.500 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.25997E-03 ppm1      8.698 ppm2      1.017 CV     1
 OR { 1613}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1622}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.900     1.900     1.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.48032E-03 ppm1      8.881 ppm2      3.927 CV     1
 ASSI { 1623}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.700     2.800     1.300 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.38654E-03 ppm1      9.022 ppm2      1.214 CV     1
 ASSI { 1624}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.000     2.000     2.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.55616E-03 ppm1      9.021 ppm2      0.790 CV     1
 ASSI { 1626}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.500     2.500     1.500 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.50848E-03 ppm1      8.882 ppm2      1.642 CV     1
 ASSI { 1627}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.13601E-02 ppm1      8.882 ppm2      1.453 CV     1
 ASSI { 1630}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      4.200     2.200     1.800 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.58897E-03 ppm1      8.881 ppm2      2.041 CV     1
 ASSI { 1636}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      4.500     2.500     1.500 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.74405E-03 ppm1      8.048 ppm2      1.889 CV     1
 ASSI { 1640}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.600     2.600     1.400 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.46361E-03 ppm1      8.049 ppm2      0.787 CV     1
 ASSI { 1644}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.900     3.000     1.100 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.44726E-03 ppm1      7.983 ppm2      3.068 CV     1
 ASSI { 1647}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      4.100     2.100     1.900 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.49927E-03 ppm1      7.764 ppm2      2.586 CV     1
 ASSI { 1648}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.900     3.000     1.100 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.40878E-03 ppm1      7.765 ppm2      2.152 CV     1
 ASSI { 1653}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      5.100     3.300     0.900 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.23331E-03 ppm1      8.177 ppm2      2.814 CV     1
 ASSI { 1656}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      5.100     3.200     0.900 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.30320E-03 ppm1      8.177 ppm2      2.803 CV     1
 ASSI { 1662}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.83263E-03 ppm1      7.550 ppm2      1.858 CV     1
 ASSI { 1663}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.200     2.200     1.800 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.61675E-03 ppm1      7.548 ppm2      2.057 CV     1
 ASSI { 1664}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      4.200     2.200     1.800 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.62061E-03 ppm1      7.550 ppm2      1.725 CV     1
 ASSI { 1667}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.200     2.200     1.800 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.43023E-03 ppm1      8.372 ppm2      5.281 CV     1
 ASSI { 1669}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.900     1.900     1.900 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      8.125 ppm2      4.211 CV     1
 ASSI { 1670}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.400     1.900     1.200 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      7.962 ppm2      4.463 CV     1
 ASSI { 1673}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.300     2.300     1.700 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.42308E-03 ppm1      8.740 ppm2      0.984 CV     1
 ASSI { 1676}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
      4.900     3.000     1.100 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.39038E-03 ppm1      7.215 ppm2      2.199 CV     1
 OR { 1676}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 1678}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.700     1.700     1.700 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.33187E-02 ppm1      8.176 ppm2      0.970 CV     1
 ASSI { 1679}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      2.400     0.700     0.700 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.71652E-02 ppm1      8.177 ppm2      1.337 CV     1
 ASSI { 1682}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.200     1.300     1.300 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.20489E-02 ppm1      7.964 ppm2      1.999 CV     1
 ASSI { 1684}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.88212E-03 ppm1      8.305 ppm2      3.879 CV     1
 ASSI { 1687}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      5.200     3.400     0.800 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.30232E-03 ppm1      7.968 ppm2      2.140 CV     1
 ASSI { 1688}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.100     2.100     1.900 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.45674E-03 ppm1      8.829 ppm2      2.699 CV     1
 ASSI { 1689}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
      4.800     2.900     1.200 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.40744E-03 ppm1      8.830 ppm2      3.210 CV     1
 OR { 1689}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 1691}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.100     2.100     1.900 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.45940E-03 ppm1      8.827 ppm2      3.864 CV     1
 ASSI { 1694}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.100     3.100     2.900 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.37016E-03 ppm1      8.402 ppm2      1.844 CV     1
 ASSI { 1695}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      5.000     3.200     1.000 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.39983E-03 ppm1      8.400 ppm2      2.284 CV     1
 OR { 1695}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1701}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.600     2.600     1.400 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.59182E-03 ppm1      8.827 ppm2      1.031 CV     1
 ASSI { 1716}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.500     2.600     1.500 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.37868E-03 ppm1      7.411 ppm2      2.048 CV     1
 ASSI { 1720}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.800     1.800     1.800 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.51445E-03 ppm1      7.537 ppm2      1.726 CV     1
 ASSI { 1723}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
      4.300     2.400     1.700 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.45877E-03 ppm1      7.543 ppm2      1.966 CV     1
 ASSI { 1724}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.400     2.400     1.600 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.41927E-03 ppm1      7.531 ppm2      2.185 CV     1
 ASSI { 1736}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.500     1.500     1.500 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.52056E-03 ppm1      7.444 ppm2      2.830 CV     1
 ASSI { 1737}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      4.400     2.400     1.600 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.59831E-03 ppm1      7.442 ppm2      2.741 CV     1
 ASSI { 1741}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.400     1.400 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.79015E-03 ppm1      8.382 ppm2      3.557 CV     1
 ASSI { 1742}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.300     2.300     1.700 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.75336E-03 ppm1      8.047 ppm2      2.670 CV     1
 ASSI { 1744}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.000     3.200     1.000 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.45762E-03 ppm1      8.052 ppm2      1.632 CV     1
 ASSI { 1745}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      5.100     3.200     0.900 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.35011E-03 ppm1      7.708 ppm2      3.857 CV     1
 ASSI { 1746}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      5.300     3.500     0.700 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.35622E-03 ppm1      7.706 ppm2      4.258 CV     1
 ASSI { 1747}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.700     2.800     1.300 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.27857E-03 ppm1      7.501 ppm2      3.462 CV     1
 ASSI { 1749}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      5.200     3.400     0.800 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.25617E-03 ppm1      7.494 ppm2      2.468 CV     1
 ASSI { 1750}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.900     1.900     1.900 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.39435E-03 ppm1      7.493 ppm2      2.799 CV     1
 ASSI { 1752}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.500     2.600     1.500 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.81115E-03 ppm1      7.800 ppm2      1.528 CV     1
 ASSI { 1754}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.900     3.000     1.100 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.40065E-03 ppm1      7.798 ppm2      2.622 CV     1
 ASSI { 1755}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.800     2.900     1.200 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.41242E-03 ppm1      7.802 ppm2      2.381 CV     1
 ASSI { 1759}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.000     2.000     2.000 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.72693E-03 ppm1      8.050 ppm2      2.886 CV     1
 ASSI { 1765}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.700     0.900     0.900 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.29925E-02 ppm1      9.627 ppm2      2.149 CV     1
 ASSI { 1771}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.500     1.500     1.500 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.77944E-03 ppm1      7.324 ppm2      2.041 CV     1
 OR { 1771}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1772}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.900     1.100     1.100 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.20804E-02 ppm1      7.323 ppm2      3.201 CV     1
 OR { 1772}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 1773}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 27   and name HA  ))
      4.200     2.200     1.800 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.58330E-03 ppm1      7.325 ppm2      4.325 CV     1
 ASSI { 1777}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.800     1.800     1.800 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.15048E-02 ppm1      8.828 ppm2      1.573 CV     1
 ASSI { 1787}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.400     2.400     1.600 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.22991E-03 ppm1      7.723 ppm2      3.552 CV     1
 ASSI { 1800}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 8    and name HA  ))
      4.500     2.500     1.500 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.33483E-03 ppm1      7.326 ppm2      4.616 CV     1
 ASSI { 1806}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 70   and name HG2% ))
      4.800     2.900     1.200 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.54280E-03 ppm1      9.061 ppm2      1.038 CV     1
 ASSI { 1808}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.900     3.000     1.100 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.42417E-03 ppm1      9.069 ppm2      1.520 CV     1
 ASSI { 1809}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.300     1.300 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.10594E-02 ppm1      7.664 ppm2      9.421 CV     1
 ASSI { 1810}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HN  ))
      4.500     2.600     1.500 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.71239E-03 ppm1      7.663 ppm2      8.871 CV     1
 ASSI { 1811}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.37364E-03 ppm1      7.387 ppm2      8.873 CV     1
 ASSI { 1813}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.300     2.300     1.700 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.20536E-03 ppm1      8.227 ppm2      2.764 CV     1
 ASSI { 1818}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.700     0.000 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.83810E-04 ppm1      7.949 ppm2      1.864 CV     1
 ASSI { 1824}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.35370E-02 ppm1      7.721 ppm2      8.376 CV     1
 ASSI { 1825}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 75   and name HG  ))
      3.000     1.100     1.100 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.16928E-02 ppm1      7.661 ppm2      1.689 CV     1
 ASSI { 1826}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HG ))
      2.900     1.100     1.100 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.11751E-02 ppm1      7.660 ppm2      1.585 CV     1
 ASSI { 1828}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 75   and name HG  ))
      3.300     1.300     1.300 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.12130E-02 ppm1      7.385 ppm2      1.690 CV     1
 ASSI { 1830}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB2 ))
      4.500     2.500     1.500 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.69563E-03 ppm1      7.385 ppm2      1.480 CV     1
 ASSI { 1831}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.300     1.300 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.88135E-03 ppm1      7.383 ppm2      2.776 CV     1
 ASSI { 1832}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB1 ))
      3.500     1.600     1.600 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.11526E-02 ppm1      7.383 ppm2      3.085 CV     1
 ASSI { 1833}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 76   and name HA  ))
      2.700     2.700     3.300 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.70472E-03 ppm1      7.663 ppm2      4.481 CV     1
 ASSI { 1834}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HA  ))
      4.500     2.600     1.500 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.40040E-03 ppm1      7.388 ppm2      4.363 CV     1
 ASSI { 1835}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HA  ))
      4.800     2.900     1.200 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.37876E-03 ppm1      7.663 ppm2      4.904 CV     1
 ASSI { 1845}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.100     2.100     1.900 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.71001E-03 ppm1      7.835 ppm2      2.136 CV     1
 ASSI { 1850}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.700     0.900     0.900 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.45017E-02 ppm1      8.382 ppm2      1.979 CV     1
 ASSI { 1852}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.800     0.800 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.28170E-02 ppm1      8.882 ppm2      8.461 CV     1
 ASSI { 1853}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.800     1.000     1.000 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.23430E-02 ppm1      8.883 ppm2      8.072 CV     1
 ASSI { 1860}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 75   and name HD1%)
      3.300     1.400     1.400 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.19580E-02 ppm1      7.386 ppm2      0.791 CV     1
 ASSI { 1861}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD2%)
      2.700     2.700     3.300 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.64457E-03 ppm1      7.661 ppm2      0.962 CV     1
 ASSI { 1866}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.200     2.200     1.800 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.54888E-03 ppm1      8.239 ppm2      0.340 CV     1
 ASSI { 1879}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.100     2.100     1.900 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.46685E-03 ppm1      8.110 ppm2      4.724 CV     1
 ASSI { 1880}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.900     1.900     1.900 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.30624E-03 ppm1      8.017 ppm2      1.204 CV     1
 ASSI { 1882}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      4.500     2.500     1.500 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.44335E-03 ppm1      8.014 ppm2      1.121 CV     1
 ASSI { 1884}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB2 ))
      4.000     2.000     2.000 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.58174E-03 ppm1      7.663 ppm2      1.478 CV     1
 ASSI { 1887}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.800     1.800     1.800 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.82748E-03 ppm1      9.061 ppm2      2.272 CV     1
 ASSI { 1888}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      4.700     2.800     1.300 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.52132E-03 ppm1      7.764 ppm2      1.580 CV     1
 ASSI { 1891}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      3.800     1.800     1.800 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.66958E-03 ppm1      8.480 ppm2      1.627 CV     1
 ASSI { 1894}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.40298E-03 ppm1      9.424 ppm2      4.904 CV     1
 ASSI { 1896}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.700     2.800     1.300 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.47273E-03 ppm1      8.046 ppm2      0.873 CV     1
 ASSI { 1897}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      5.000     3.100     1.000 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.23189E-03 ppm1      7.832 ppm2      3.020 CV     1
 ASSI { 1904}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.500     1.500     1.500 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.24016E-02 ppm1      8.302 ppm2      0.872 CV     1
 ASSI { 1905}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.400     2.500     1.600 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.52951E-03 ppm1      8.828 ppm2      0.880 CV     1
 ASSI { 1909}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.700     1.700     1.700 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.10843E-02 ppm1      8.381 ppm2      0.726 CV     1
 ASSI { 1911}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.400     2.400     1.600 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.45975E-03 ppm1      9.059 ppm2      1.037 CV     1
 ASSI { 1914}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      4.400     2.400     1.600 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.46578E-03 ppm1      8.305 ppm2      2.769 CV     1
 ASSI { 1918}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      3.200     1.300     1.300 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.23528E-03 ppm1      8.704 ppm2      0.348 CV     1
 ASSI { 1923}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      5.300     3.500     0.700 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.46282E-03 ppm1      8.240 ppm2      3.044 CV     1
 ASSI { 1930}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.800     1.800     1.800 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.68221E-03 ppm1      8.245 ppm2      4.707 CV     1
 ASSI { 1931}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.400     1.400 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.78177E-03 ppm1      8.249 ppm2      1.264 CV     1
 ASSI { 1932}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      4.300     2.300     1.700 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.43102E-03 ppm1      8.251 ppm2      1.579 CV     1
 ASSI { 1937}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.27105E-02 ppm1      8.249 ppm2      4.321 CV     1
 ASSI { 1938}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.40100E-02 ppm1      8.246 ppm2      4.365 CV     1
 ASSI { 1941}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.300     1.300     1.300 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.23983E-02 ppm1      8.486 ppm2      4.356 CV     1
 ASSI { 1942}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.300     1.300 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.23983E-02 ppm1      8.486 ppm2      4.356 CV     1
 ASSI { 1955}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.900     3.000     1.100 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.24006E-03 ppm1      8.053 ppm2      0.476 CV     1
 ASSI { 1956}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HB1  ))
      5.000     3.200     1.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.24006E-03 ppm1      8.050 ppm2      1.770 CV     1
 ASSI { 1957}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.300     2.300     1.700 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.31139E-03 ppm1      8.048 ppm2      1.390 CV     1
 ASSI { 1960}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      2.400     0.700     0.700 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.53022E-02 ppm1      8.049 ppm2      7.310 CV     1
 ASSI { 1961}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      5.700     4.100     0.300 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.18563E-03 ppm1      8.044 ppm2      2.029 CV     1
 ASSI { 1963}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.79656E-03 ppm1      8.661 ppm2      8.049 CV     1
 ASSI { 1966}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      3.000     1.100     1.100 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.15722E-02 ppm1      7.525 ppm2      7.320 CV     1
 ASSI { 1967}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.200     0.600     0.600 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.64208E-02 ppm1      7.525 ppm2      8.041 CV     1
 ASSI { 1968}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      3.300     1.300     1.300 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.45422E-02 ppm1      8.400 ppm2      1.386 CV     1
 ASSI { 1970}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 40   and name HE% )
      4.500     2.500     1.500 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.23829E-03 ppm1      7.843 ppm2      6.746 CV     1
 ASSI { 1978}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.100     1.100 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.23465E-02 ppm1      8.449 ppm2      8.254 CV     1
 ASSI { 1981}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 71   and name HG2)
      4.000     2.000     2.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.53187E-03 ppm1      7.523 ppm2      1.390 CV     1
 ASSI { 1989}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      5.300     3.600     0.700 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.19721E-03 ppm1      7.540 ppm2      2.486 CV     1
 ASSI { 1994}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.25250E-02 ppm1      7.651 ppm2      1.855 CV     1
 ASSI { 1995}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.100     1.200     1.200 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.19420E-02 ppm1      7.650 ppm2      1.741 CV     1
 ASSI { 1996}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.400     1.500     1.500 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.14628E-02 ppm1      7.652 ppm2      2.047 CV     1
 ASSI { 1997}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD1 ))
      4.400     2.400     1.600 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.29071E-03 ppm1      7.653 ppm2      3.255 CV     1
 OR { 1997}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 2000}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      2.900     1.100     1.100 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.19731E-02 ppm1      7.652 ppm2      3.895 CV     1
 ASSI { 2001}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA ))
      2.900     1.100     1.100 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.19731E-02 ppm1      7.652 ppm2      3.895 CV     1
 ASSI { 2005}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.600     0.600 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.10203E-01 ppm1      8.464 ppm2      2.269 CV     1
 ASSI { 2014}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.300     1.300 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.14613E-02 ppm1      8.568 ppm2      8.666 CV     1
 ASSI { 2016}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.800     1.800     1.800 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.47819E-03 ppm1      7.985 ppm2      2.402 CV     1
ASSI { 2018}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HG11 )
      3.900     1.900     1.900 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.11450E-02 ppm1      7.978 ppm2      1.514 CV     1
 ASSI { 2019}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.500     2.600     1.500 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.38671E-03 ppm1      7.985 ppm2      1.042 CV     1
 ASSI { 2020}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      5.200     3.400     0.800 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.26843E-03 ppm1      8.046 ppm2      3.554 CV     1
 ASSI { 2021}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.900     1.100     1.100 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.17519E-02 ppm1      8.047 ppm2      2.689 CV     1
 ASSI { 2022}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.200     1.300     1.300 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.30435E-02 ppm1      8.051 ppm2      3.030 CV     1
 ASSI { 2023}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.10718E-02 ppm1      8.049 ppm2      3.876 CV     1
 ASSI { 2025}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.800     1.000     1.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.39555E-02 ppm1      8.739 ppm2      2.754 CV     1
 OR { 2025}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2030}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.100     2.100     1.900 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.45249E-03 ppm1      7.215 ppm2      4.588 CV     1
 ASSI { 2031}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.100     2.100     1.900 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.45249E-03 ppm1      7.840 ppm2      4.219 CV     1
 ASSI { 2034}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.700     2.800     1.300 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.47273E-03 ppm1      8.046 ppm2      0.873 CV     1
 ASSI { 2036}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.700     2.800     1.300 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.47273E-03 ppm1      8.046 ppm2      0.873 CV     1
 ASSI { 2048}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 83   and name HA)
      4.200     2.800     1.300 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.47273E-03 ppm1      8.046 ppm2      0.873 CV     1
 ASSI { 2050}
   (( segid "    " and resid 3    and name HN))
   (  segid "    " and resid 82   and name HB1)
      4.000     2.800     2.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.47273E-03 ppm1      8.046 ppm2      0.873 CV     1
 ASSI { 2054}
   (( segid "    " and resid 85   and name HN))
   (  segid "    " and resid 84   and name HG1)
      4.200     1.000     1.000 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.47273E-03 ppm1      8.046 ppm2      0.873 CV     1
 ASSI { 2056}
   (( segid "    " and resid 85   and name HN))
   (  segid "    " and resid 81   and name HA)
      4.500     1.000     1.000 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.47273E-03 ppm1      8.046 ppm2      0.873 CV     1
 ASSI { 2055}
   (( segid "    " and resid 67   and name HN))
   (  segid "    " and resid 66   and name HN)
      2.400     0.800     0.800 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.47273E-03 ppm1      8.046 ppm2      0.873 CV     1

 ASSI {    3}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.66306E-02 ppm1      0.476 ppm2      3.323 CV     1
 ASSI {    4}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
      3.900     1.900     1.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.22141E-02 ppm1      0.475 ppm2      2.254 CV     1
 OR {    4}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {    6}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.200     1.200 peak     6 spectrum    1 weight  0.10000E+01 volume  0.21066E-02 ppm1      0.341 ppm2      4.200 CV     1
 ASSI {    7}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.28917E-02 ppm1      0.341 ppm2      3.883 CV     1
 ASSI {    8}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.500     1.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.40785E-02 ppm1      0.228 ppm2      3.879 CV     1
 ASSI {    9}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.400     1.500     1.500 peak     9 spectrum    1 weight  0.10000E+01 volume  0.18430E-02 ppm1      0.477 ppm2      7.218 CV     1
 ASSI {   10}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 42   and name H9A )
      3.300     1.300     1.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.12792E-02 ppm1      0.340 ppm2      7.171 CV     1
 ASSI {   11}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.100     1.200     1.200 peak    11 spectrum    1 weight  0.10000E+01 volume  0.16028E-02 ppm1      0.341 ppm2      6.965 CV     1
 ASSI {   12}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.100     1.200     1.200 peak    12 spectrum    1 weight  0.10000E+01 volume  0.21370E-02 ppm1      0.228 ppm2      6.970 CV     1
 ASSI {   15}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 68   and name HG2%)
      3.000     1.100     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.32415E-02 ppm1      0.341 ppm2      1.138 CV     1
 ASSI {   25}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.400     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.51900E-02 ppm1      0.476 ppm2      1.211 CV     1
 ASSI {   27}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      2.500     0.800     0.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.47419E-02 ppm1      0.475 ppm2      1.052 CV     1
 ASSI {   29}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.200     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.11180E-01 ppm1      0.475 ppm2      0.794 CV     1
 ASSI {   32}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD2 ))
      3.300     1.300     1.300 peak    32 spectrum    1 weight  0.10000E+01 volume  0.16629E-02 ppm1      2.201 ppm2      2.921 CV     1
 ASSI {   36}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
      2.200     0.600     0.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.77637E-02 ppm1      0.601 ppm2      1.568 CV     1
 ASSI {   37}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.700     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.25490E-02 ppm1      0.601 ppm2      1.366 CV     1
 ASSI {   44}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
      2.600     0.800     0.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.33500E-02 ppm1      0.642 ppm2      1.565 CV     1
 ASSI {   61}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      2.400     0.700     0.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.57492E-02 ppm1      0.690 ppm2      1.581 CV     1
 ASSI {   62}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
      3.000     1.100     1.100 peak    62 spectrum    1 weight  0.10000E+01 volume  0.34162E-02 ppm1      0.691 ppm2      1.448 CV     1
 ASSI {   63}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.300     0.700     0.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.62770E-02 ppm1      0.690 ppm2      1.258 CV     1
 ASSI {   73}
   (( segid "    " and resid 14   and name HD1%  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.200     1.800     1.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.97250E-03 ppm1      0.732 ppm2      1.422 CV     1
 ASSI {   78}
   (( segid "    " and resid 14   and name HD1%  ))
   (( segid "    " and resid 14   and name HA ))
      3.800     1.800     1.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.97250E-03 ppm1      0.732 ppm2      4.373 CV     1
 ASSI {   79}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      3.000     1.200     1.200 peak    79 spectrum    1 weight  0.10000E+01 volume  0.86862E-02 ppm1      0.691 ppm2      4.359 CV     1
 ASSI {   96}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.800     1.800     1.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.24575E-02 ppm1      1.119 ppm2      4.219 CV     1
ASSI {   97}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.200     1.200 peak    97 spectrum    1 weight  0.10000E+01 volume  0.21530E-02 ppm1      1.117 ppm2      3.876 CV     1
 ASSI {   98}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD1 ))
      2.600     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.35962E-02 ppm1      1.409 ppm2      3.205 CV     1
 OR {   98}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {   99}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD1 ))
      2.700     0.900     0.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.27140E-02 ppm1      1.198 ppm2      3.195 CV     1
 OR {   99}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  101}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HD1 ))
      2.600     0.800     0.800 peak   101 spectrum    1 weight  0.10000E+01 volume  0.24313E-02 ppm1      0.977 ppm2      3.077 CV     1
ASSI {   103}
   (( segid "    " and resid 75   and name HD2%  ))
   (( segid "    " and resid 75   and name HA ))
      3.800     1.800     1.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.97250E-03 ppm1      0.864 ppm2      3.896 CV     1
 ASSI {  106}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      3.300     1.400     1.400 peak   106 spectrum    1 weight  0.10000E+01 volume  0.21360E-02 ppm1      0.601 ppm2      4.541 CV     1
 ASSI {  117}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.000     1.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.95623E-02 ppm1      0.987 ppm2      4.227 CV     1
 ASSI {  118}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.500     0.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.98206E-02 ppm1      1.034 ppm2      4.204 CV     1
 ASSI {  119}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak   119 spectrum    1 weight  0.10000E+01 volume  0.15050E-02 ppm1      1.033 ppm2      3.890 CV     1
 ASSI {  123}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.47958E-02 ppm1      1.382 ppm2      3.864 CV     1
 ASSI {  127}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.76807E-02 ppm1      1.114 ppm2      3.922 CV     1
 ASSI {  129}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
      2.800     1.000     1.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.43516E-02 ppm1      1.373 ppm2      4.386 CV     1
 ASSI {  130}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.58769E-02 ppm1      1.373 ppm2      4.181 CV     1
 ASSI {  131}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.600     1.600 peak   131 spectrum    1 weight  0.10000E+01 volume  0.17787E-02 ppm1      1.406 ppm2      4.541 CV     1
 ASSI {  136}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.54504E-02 ppm1      0.990 ppm2      3.888 CV     1
 ASSI {  137}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.400     1.400     1.400 peak   137 spectrum    1 weight  0.10000E+01 volume  0.21574E-02 ppm1      0.691 ppm2      3.304 CV     1
 ASSI {  155}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.500     1.500 peak   155 spectrum    1 weight  0.10000E+01 volume  0.14217E-02 ppm1      0.792 ppm2      2.313 CV     1
 ASSI {  160}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.000     1.100     1.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.21993E-02 ppm1      0.732 ppm2      6.967 CV     1
 ASSI {  161}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.000     1.100     1.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.21993E-02 ppm1      0.690 ppm2      7.310 CV     1
 ASSI {  164}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 30   and name HA )
      3.000     1.100     1.100 peak   164 spectrum    1 weight  0.10000E+01 volume  0.21993E-02 ppm1      1.051 ppm2      4.725 CV     1
 ASSI {  166}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   166 spectrum    1 weight  0.10000E+01 volume  0.46474E-02 ppm1      0.973 ppm2      4.649 CV     1
 ASSI {  168}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak   168 spectrum    1 weight  0.10000E+01 volume  0.91156E-02 ppm1      1.406 ppm2      4.846 CV     1
 ASSI {  178}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HG1 ))
      1.700     0.400     0.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.12365E-01 ppm1      0.978 ppm2      1.353 CV     1
 ASSI {  181}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.000     0.500     0.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.10611E-01 ppm1      0.976 ppm2      2.120 CV     1
 ASSI {  183}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HB2 ))
      2.400     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.55718E-02 ppm1      0.947 ppm2      1.604 CV     1
 ASSI {  184}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HB1 ))
      3.300     1.400     1.400 peak   184 spectrum    1 weight  0.10000E+01 volume  0.38268E-02 ppm1      0.947 ppm2      1.480 CV     1
 ASSI {  190}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HG ))
      2.800     0.900     0.900 peak   190 spectrum    1 weight  0.10000E+01 volume  0.38268E-02 ppm1      0.863 ppm2      1.682 CV     1
 ASSI {  191}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2))
      2.800     0.900     0.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.38268E-02 ppm1      0.863 ppm2      1.583 CV     1
 ASSI {  202}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.600     1.600     1.600 peak   202 spectrum    1 weight  0.10000E+01 volume  0.19612E-02 ppm1      0.885 ppm2      2.771 CV     1
 ASSI {  205}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      2.700     0.900     0.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.60522E-02 ppm1      0.883 ppm2      1.605 CV     1
 ASSI {  251}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.21546E-02 ppm1      1.114 ppm2      8.249 CV     1
 ASSI {  252}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.500     1.600     1.600 peak   252 spectrum    1 weight  0.10000E+01 volume  0.17654E-02 ppm1      1.118 ppm2      7.324 CV     1
 ASSI {  253}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.800     0.900     0.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.22964E-02 ppm1      1.119 ppm2      7.219 CV     1
 ASSI {  257}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
      2.100     0.500     0.500 peak   257 spectrum    1 weight  0.10000E+01 volume  0.11041E-01 ppm1      1.116 ppm2      1.885 CV     1
 ASSI {  274}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
      2.200     0.600     0.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.75690E-02 ppm1      1.118 ppm2      1.569 CV     1
 ASSI {  300}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB1 ))
      2.900     1.000     1.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.32782E-02 ppm1      1.350 ppm2      1.875 CV     1
 ASSI {  305}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HG11))
      1.700     0.400     0.500 peak   305 spectrum    1 weight  0.10000E+01 volume  0.11257E-01 ppm1      1.267 ppm2      1.730 CV     1
 ASSI {  307}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HB  ))
      2.800     1.000     1.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.25105E-02 ppm1      1.265 ppm2      1.926 CV     1
 ASSI {  308}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 78   and name HD1%)
      2.400     0.700     0.700 peak   308 spectrum    1 weight  0.10000E+01 volume  0.45003E-02 ppm1      1.266 ppm2      0.796 CV     1
 ASSI {  309}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.300     0.700     0.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.94177E-02 ppm1      1.230 ppm2      4.358 CV     1
 ASSI {  312}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.500     1.500 peak   312 spectrum    1 weight  0.10000E+01 volume  0.17828E-02 ppm1      1.261 ppm2      8.591 CV     1
 ASSI {  313}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HG1 ))
      1.900     0.400     0.400 peak   313 spectrum    1 weight  0.10000E+01 volume  0.66199E-02 ppm1      1.390 ppm2      2.212 CV     1
 OR {  313}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  314}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HE% )
      2.800     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.40615E-02 ppm1      1.383 ppm2      7.220 CV     1
 ASSI {  315}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HD% )
      3.000     1.100     1.100 peak   315 spectrum    1 weight  0.10000E+01 volume  0.33245E-02 ppm1      1.383 ppm2      7.326 CV     1
 ASSI {  317}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.900     0.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.46148E-02 ppm1      1.405 ppm2      9.046 CV     1
 ASSI {  318}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.200     2.200     1.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.18499E-02 ppm1      1.405 ppm2      8.843 CV     1
 ASSI {  319}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   319 spectrum    1 weight  0.10000E+01 volume  0.27707E-02 ppm1      1.408 ppm2      2.045 CV     1
 OR {  319}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  321}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HG2 ))
      1.800     0.400     0.400 peak   321 spectrum    1 weight  0.10000E+01 volume  0.97820E-02 ppm1      1.409 ppm2      1.198 CV     1
 ASSI {  325}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.24754E-02 ppm1      1.511 ppm2      4.366 CV     1
 ASSI {  327}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HB1 ))
      1.700     0.300     0.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.12778E-01 ppm1      1.583 ppm2      1.878 CV     1
 ASSI {  329}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HG12  ))
      2.000     0.500     0.500 peak   329 spectrum    1 weight  0.10000E+01 volume  0.13312E-01 ppm1      1.508 ppm2      1.833 CV     1
 ASSI {  330}
   (( segid "    " and resid 26   and name HG  ))
   (  segid "    " and resid 26   and name HD2%)
      2.300     0.700     0.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.60628E-02 ppm1      1.581 ppm2      0.801 CV     1
 ASSI {  345}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HN  ))
      2.800     1.000     1.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.25908E-02 ppm1      1.726 ppm2      8.300 CV     1
 ASSI {  349}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.500     0.800     0.800 peak   349 spectrum    1 weight  0.10000E+01 volume  0.45523E-02 ppm1      1.729 ppm2      3.263 CV     1
 OR {  349}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  349}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  349}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {  352}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HB  ))
      2.700     0.900     0.900 peak   352 spectrum    1 weight  0.10000E+01 volume  0.19983E-02 ppm1      1.831 ppm2      2.413 CV     1
 ASSI {  353}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   353 spectrum    1 weight  0.10000E+01 volume  0.28531E-02 ppm1      1.834 ppm2      4.372 CV     1
 ASSI {  355}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.100     1.100 peak   355 spectrum    1 weight  0.10000E+01 volume  0.22303E-02 ppm1      1.861 ppm2      9.031 CV     1
 ASSI {  357}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.100     1.100 peak   357 spectrum    1 weight  0.10000E+01 volume  0.22303E-02 ppm1      1.861 ppm2      9.031 CV     1
ASSI {  366}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     0.800     0.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.63627E-02 ppm1      2.021 ppm2      8.015 CV     1
 ASSI {  367}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.900     0.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.26169E-02 ppm1      2.023 ppm2      7.720 CV     1
 ASSI {  368}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     3.300     2.700 peak   368 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      2.023 ppm2      8.145 CV     1
 ASSI {  372}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak   372 spectrum    1 weight  0.10000E+01 volume  0.23635E-02 ppm1      2.022 ppm2      4.227 CV     1
 ASSI {  379}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 40   and name HD% )
      3.200     1.300     1.300 peak   379 spectrum    1 weight  0.10000E+01 volume  0.17098E-02 ppm1      1.830 ppm2      6.974 CV     1
 ASSI {  383}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.900     0.500     0.500 peak   383 spectrum    1 weight  0.10000E+01 volume  0.67525E-02 ppm1      1.837 ppm2      2.191 CV     1
 ASSI {  385}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN ))
      2.900     0.500     0.500 peak   383 spectrum    1 weight  0.10000E+01 volume  0.67525E-02 ppm1      1.837 ppm2      2.191 CV     1
 ASSI {  393}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      1.700     0.300     0.500 peak   393 spectrum    1 weight  0.10000E+01 volume  0.14277E-01 ppm1      2.076 ppm2      2.518 CV     1
 ASSI {  395}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
      2.400     0.700     0.700 peak   395 spectrum    1 weight  0.10000E+01 volume  0.88327E-02 ppm1      2.069 ppm2      2.413 CV     1
 OR {  395}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  397}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.000     1.100     1.100 peak   397 spectrum    1 weight  0.10000E+01 volume  0.21203E-02 ppm1      2.042 ppm2      7.325 CV     1
 OR {  397}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  407}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
      2.100     0.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.87201E-02 ppm1      2.051 ppm2      0.864 CV     1
 ASSI {  410}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HG2 ))
      1.800     0.400     0.400 peak   410 spectrum    1 weight  0.10000E+01 volume  0.68314E-02 ppm1      2.205 ppm2      1.388 CV     1
 ASSI {  411}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG1%)
      2.200     0.600     0.600 peak   411 spectrum    1 weight  0.10000E+01 volume  0.11888E-01 ppm1      2.195 ppm2      0.976 CV     1
 OR {  411}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  416}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak   416 spectrum    1 weight  0.10000E+01 volume  0.12285E-02 ppm1      2.191 ppm2      4.730 CV     1
 ASSI {  418}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.300     0.600     0.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.58306E-02 ppm1      2.518 ppm2      4.532 CV     1
 ASSI {  419}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.000     2.000     2.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.11707E-02 ppm1      2.517 ppm2      4.010 CV     1
 ASSI {  420}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.300     1.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.21225E-02 ppm1      2.777 ppm2      4.197 CV     1
 ASSI {  421}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak   421 spectrum    1 weight  0.10000E+01 volume  0.21816E-02 ppm1      2.676 ppm2      4.196 CV     1
 ASSI {  430}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.21541E-02 ppm1      1.775 ppm2      7.214 CV     1
 ASSI {  431}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD2 ))
      2.900     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.49604E-02 ppm1      2.123 ppm2      3.564 CV     1
 ASSI {  432}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD1 ))
      2.300     0.600     0.600 peak   432 spectrum    1 weight  0.10000E+01 volume  0.52045E-02 ppm1      2.126 ppm2      4.011 CV     1
 ASSI {  434}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HA  ))
      3.000     1.100     1.100 peak   434 spectrum    1 weight  0.10000E+01 volume  0.24794E-02 ppm1      2.129 ppm2      4.538 CV     1
 ASSI {  435}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.40851E-02 ppm1      2.129 ppm2      4.387 CV     1
 ASSI {  438}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak   438 spectrum    1 weight  0.10000E+01 volume  0.24791E-02 ppm1      2.257 ppm2      3.321 CV     1
 ASSI {  439}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      3.000     1.100     1.100 peak   439 spectrum    1 weight  0.10000E+01 volume  0.11147E-02 ppm1      2.195 ppm2      3.568 CV     1
 ASSI {  441}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.100     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.37046E-02 ppm1      2.190 ppm2      4.194 CV     1
 ASSI {  444}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   444 spectrum    1 weight  0.10000E+01 volume  0.24689E-02 ppm1      2.190 ppm2      8.459 CV     1
 ASSI {  450}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     0.900     0.900 peak   450 spectrum    1 weight  0.10000E+01 volume  0.41492E-02 ppm1      2.266 ppm2      4.392 CV     1
 ASSI {  461}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.200     0.600     0.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.11272E-01 ppm1      2.278 ppm2      2.777 CV     1
 OR {  461}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  462}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.300     0.600     0.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.10922E-01 ppm1      2.278 ppm2      2.680 CV     1
 OR {  462}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  463}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.31032E-02 ppm1      2.264 ppm2      4.031 CV     1
 ASSI {  472}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.600     1.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.21192E-02 ppm1      2.358 ppm2      8.882 CV     1
 ASSI {  473}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.600     0.900     0.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.50281E-02 ppm1      2.359 ppm2      2.761 CV     1
 ASSI {  477}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.15707E-02 ppm1      2.258 ppm2      0.477 CV     1
 ASSI {  478}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.800     1.000     1.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.23983E-02 ppm1      2.260 ppm2      1.391 CV     1
 ASSI {  479}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.200     0.600     0.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.10308E-01 ppm1      2.777 ppm2      2.281 CV     1
 ASSI {  480}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB1 ))
      2.400     0.700     0.700 peak   480 spectrum    1 weight  0.10000E+01 volume  0.99937E-02 ppm1      2.676 ppm2      2.280 CV     1
 ASSI {  487}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG12))
      2.500     0.800     0.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.34675E-02 ppm1      3.740 ppm2      1.265 CV     1
 ASSI {  488}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 81   and name HB% )
      2.700     0.900     0.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.32807E-02 ppm1      3.739 ppm2      1.629 CV     1
 ASSI {  489}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
      3.100     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.27860E-02 ppm1      3.738 ppm2      1.733 CV     1
 ASSI {  490}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.800     1.000     1.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.31552E-02 ppm1      3.741 ppm2      1.928 CV     1
 ASSI {  493}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.400     0.700     0.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.71255E-02 ppm1      3.740 ppm2      0.869 CV     1
 ASSI {  494}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.35231E-02 ppm1      3.749 ppm2      4.814 CV     1
 ASSI {  496}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      2.900     1.100     1.100 peak   496 spectrum    1 weight  0.10000E+01 volume  0.27441E-02 ppm1      3.801 ppm2      8.480 CV     1
 ASSI {  498}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.000     2.000     2.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.97732E-03 ppm1      3.803 ppm2      8.234 CV     1
 ASSI {  499}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.32582E-02 ppm1      3.800 ppm2      4.809 CV     1
 ASSI {  503}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.200     1.200     1.200 peak   503 spectrum    1 weight  0.10000E+01 volume  0.18138E-02 ppm1      3.863 ppm2      1.577 CV     1
 ASSI {  507}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      3.500     1.500     1.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.11057E-02 ppm1      3.862 ppm2      0.476 CV     1
 ASSI {  512}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.900     0.900 peak   512 spectrum    1 weight  0.10000E+01 volume  0.34636E-02 ppm1      3.885 ppm2      7.441 CV     1
 ASSI {  513}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak   513 spectrum    1 weight  0.10000E+01 volume  0.18178E-02 ppm1      3.887 ppm2      8.174 CV     1
 ASSI {  519}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.45696E-02 ppm1      3.922 ppm2      2.265 CV     1
 ASSI {  520}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HB% )
      3.000     1.100     1.100 peak   520 spectrum    1 weight  0.10000E+01 volume  0.24557E-02 ppm1      3.922 ppm2      1.524 CV     1
 ASSI {  522}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      2.500     0.800     0.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.63121E-02 ppm1      3.921 ppm2      1.033 CV     1
 ASSI {  524}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak   524 spectrum    1 weight  0.10000E+01 volume  0.13282E-02 ppm1      3.970 ppm2      8.566 CV     1
 ASSI {  529}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.78012E-02 ppm1      3.970 ppm2      4.321 CV     1
 ASSI {  533}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      3.400     1.400     1.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.87765E-03 ppm1      3.942 ppm2      1.652 CV     1
 ASSI {  534}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.600     0.800     0.800 peak   534 spectrum    1 weight  0.10000E+01 volume  0.48114E-02 ppm1      3.941 ppm2      1.114 CV     1
 ASSI {  535}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.300     1.400     1.400 peak   535 spectrum    1 weight  0.10000E+01 volume  0.14430E-02 ppm1      3.884 ppm2      1.852 CV     1
 ASSI {  536}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.600     1.600     1.600 peak   536 spectrum    1 weight  0.10000E+01 volume  0.15494E-02 ppm1      3.889 ppm2      1.727 CV     1
 ASSI {  537}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
      2.300     0.700     0.700 peak   537 spectrum    1 weight  0.10000E+01 volume  0.99436E-02 ppm1      3.885 ppm2      0.974 CV     1
 ASSI {  539}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      2.700     0.900     0.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.45025E-02 ppm1      3.885 ppm2      2.195 CV     1
 ASSI {  540}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
      3.500     1.500     1.500 peak   540 spectrum    1 weight  0.10000E+01 volume  0.12621E-02 ppm1      3.886 ppm2      3.261 CV     1
 ASSI {  543}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.30213E-02 ppm1      4.043 ppm2      7.806 CV     1
 ASSI {  547}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
      3.900     1.900     1.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.11525E-02 ppm1      4.041 ppm2      1.525 CV     1
 ASSI {  549}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      2.800     0.800     0.800 peak   549 spectrum    1 weight  0.10000E+01 volume  0.56430E-02 ppm1      4.104 ppm2      8.071 CV     1
 ASSI {  556}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.200     1.300     1.300 peak   556 spectrum    1 weight  0.10000E+01 volume  0.22220E-02 ppm1      4.177 ppm2      8.926 CV     1
 ASSI {  559}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak   559 spectrum    1 weight  0.10000E+01 volume  0.12659E-02 ppm1      4.220 ppm2      7.779 CV     1
 ASSI {  562}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      4.500     2.500     1.500 peak   562 spectrum    1 weight  0.10000E+01 volume  0.27838E-03 ppm1      4.226 ppm2      8.720 CV     1
 ASSI {  567}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.600     0.800     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.30594E-02 ppm1      4.223 ppm2      2.400 CV     1
 ASSI {  568}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.28172E-02 ppm1      4.226 ppm2      2.021 CV     1
 ASSI {  572}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      2.300     0.700     0.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.85709E-02 ppm1      4.219 ppm2      1.261 CV     1
 ASSI {  574}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.600     1.600     1.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.17915E-02 ppm1      4.223 ppm2      1.397 CV     1
 ASSI {  576}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      2.400     0.700     0.700 peak   576 spectrum    1 weight  0.10000E+01 volume  0.69639E-02 ppm1      4.313 ppm2      1.383 CV     1
 ASSI {  582}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.100     1.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.24576E-02 ppm1      4.313 ppm2      8.241 CV     1
 ASSI {  587}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      2.600     0.900     0.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.62201E-02 ppm1      4.331 ppm2      1.262 CV     1
 ASSI {  590}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.500     0.800     0.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      4.369 ppm2      3.538 CV     1
 ASSI {  591}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.400     0.700     0.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.46753E-02 ppm1      4.366 ppm2      7.172 CV     1
 ASSI {  592}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak   592 spectrum    1 weight  0.10000E+01 volume  0.33535E-02 ppm1      4.361 ppm2      8.486 CV     1
 ASSI {  598}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      2.400     0.700     0.700 peak   598 spectrum    1 weight  0.10000E+01 volume  0.50355E-02 ppm1      4.425 ppm2      2.391 CV     1
 ASSI {  602}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.86517E-02 ppm1      4.508 ppm2      8.486 CV     1
 ASSI {  603}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.000     1.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.27504E-02 ppm1      4.508 ppm2      8.250 CV     1
 ASSI {  604}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.600     0.800     0.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.69116E-02 ppm1      4.509 ppm2      1.232 CV     1
 ASSI {  606}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.100     0.600     0.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.11498E-01 ppm1      4.531 ppm2      8.736 CV     1
 ASSI {  610}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG2 ))
      3.200     1.300     1.300 peak   610 spectrum    1 weight  0.10000E+01 volume  0.54501E-02 ppm1      4.533 ppm2      2.099 CV     1
 ASSI {  615}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.100     2.100     1.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.14496E-02 ppm1      0.883 ppm2      9.423 CV     1
 ASSI {  616}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      4.100     2.100     1.900 peak   616 spectrum    1 weight  0.10000E+01 volume  0.13222E-02 ppm1      0.883 ppm2      8.155 CV     1
 ASSI {  623}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD1%)
      2.600     0.800     0.800 peak   623 spectrum    1 weight  0.10000E+01 volume  0.40703E-02 ppm1      1.382 ppm2      0.475 CV     1
 ASSI {  626}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD2%)
      2.600     0.900     0.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.42538E-02 ppm1      1.384 ppm2      0.795 CV     1
 ASSI {  634}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.500     0.800     0.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.18772E-02 ppm1      1.385 ppm2      2.921 CV     1
 ASSI {  639}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak   639 spectrum    1 weight  0.10000E+01 volume  0.11906E-02 ppm1      1.685 ppm2      3.877 CV     1
 ASSI {  643}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 75   and name HD2%)
      2.100     0.500     0.500 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14556E-01 ppm1      1.687 ppm2      0.865 CV     1
 ASSI {  654}
   (( segid "    " and resid 72   and name HG2  ))
   (  segid "    " and resid 72   and name HD2)
      3.100     1.500     1.500 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14556E-01 ppm1      1.687 ppm2      0.865 CV     1
 ASSI {  655}
   (( segid "    " and resid 72   and name HG2  ))
   (  segid "    " and resid 72   and name HA)
      3.100     1.500     1.500 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14556E-01 ppm1      1.687 ppm2      0.865 CV     1
 ASSI {  660}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      3.800     1.800     1.800 peak   660 spectrum    1 weight  0.10000E+01 volume  0.15218E-02 ppm1      1.553 ppm2      9.423 CV     1
 ASSI {  662}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.100     1.100 peak   662 spectrum    1 weight  0.10000E+01 volume  0.14941E-02 ppm1      1.552 ppm2      4.544 CV     1
 ASSI {  678}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      3.300     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      0.871 ppm2      8.870 CV     1
 ASSI {  681}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HD% )
      3.600     1.600     1.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.69990E-03 ppm1      0.872 ppm2      7.426 CV     1
 ASSI {  682}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak   682 spectrum    1 weight  0.10000E+01 volume  0.10623E-02 ppm1      0.871 ppm2      4.898 CV     1
 ASSI {  686}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG12))
      2.900     1.000     1.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.33636E-02 ppm1      0.870 ppm2      1.280 CV     1
ASSI {  687}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.300     1.400     1.400 peak   687 spectrum    1 weight  0.10000E+01 volume  0.16468E-02 ppm1      0.802 ppm2      4.362 CV     1
 ASSI {  688}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak   688 spectrum    1 weight  0.10000E+01 volume  0.12134E-02 ppm1      0.800 ppm2      8.454 CV     1
 ASSI {  689}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      3.500     1.600     1.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.13629E-02 ppm1      0.642 ppm2      6.806 CV     1
 ASSI {  690}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HE% )
      3.300     1.400     1.400 peak   690 spectrum    1 weight  0.10000E+01 volume  0.10174E-02 ppm1      0.603 ppm2      6.809 CV     1
 ASSI {  691}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      4.000     2.000     2.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.94799E-03 ppm1      0.644 ppm2      7.423 CV     1
 ASSI {  692}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.500     1.500     1.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.82611E-03 ppm1      0.600 ppm2      7.428 CV     1
 ASSI {  694}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      4.400     2.400     1.600 peak   694 spectrum    1 weight  0.10000E+01 volume  0.95689E-03 ppm1      0.641 ppm2      9.417 CV     1
 ASSI {  696}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
      3.500     1.500     1.500 peak   696 spectrum    1 weight  0.10000E+01 volume  0.10949E-02 ppm1      0.602 ppm2      2.681 CV     1
 ASSI {  697}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
      4.500     1.500     1.500 peak   697 spectrum    1 weight  0.10000E+01 volume  0.15349E-02 ppm1      0.643 ppm2      3.026 CV     1
 ASSI {  698}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
      3.500     1.500     1.500 peak   698 spectrum    1 weight  0.10000E+01 volume  0.15349E-02 ppm1      0.643 ppm2      3.026 CV     1
 ASSI {  699}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak   699 spectrum    1 weight  0.10000E+01 volume  0.18659E-02 ppm1      0.602 ppm2      3.877 CV     1
 ASSI {  709}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD2 ))
      4.100     2.100     1.900 peak   709 spectrum    1 weight  0.10000E+01 volume  0.10877E-02 ppm1      2.520 ppm2      3.568 CV     1
 ASSI {  713}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      2.500     0.800     0.800 peak   713 spectrum    1 weight  0.10000E+01 volume  0.45660E-02 ppm1      2.121 ppm2      4.650 CV     1
 ASSI {  716}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
      2.100     0.500     0.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.10262E-01 ppm1      2.121 ppm2      0.954 CV     1
 OR {  716}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  717}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 81   and name HB% )
      4.800     1.000     1.200 peak   717 spectrum    1 weight  0.10000E+01 volume  0.22226E-02 ppm1      2.122 ppm2      1.626 CV     1
 ASSI {  718}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.700     0.900     0.900 peak   718 spectrum    1 weight  0.10000E+01 volume  0.34149E-02 ppm1      2.194 ppm2      1.630 CV     1
 ASSI {  721}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak   721 spectrum    1 weight  0.10000E+01 volume  0.11718E-02 ppm1      0.990 ppm2      8.199 CV     1
 ASSI {  722}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.600     0.800     0.800 peak   722 spectrum    1 weight  0.10000E+01 volume  0.38745E-02 ppm1      0.990 ppm2      4.594 CV     1
 ASSI {  723}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   723 spectrum    1 weight  0.10000E+01 volume  0.26612E-02 ppm1      0.990 ppm2      4.011 CV     1
 ASSI {  729}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
      3.100     1.200     1.200 peak   729 spectrum    1 weight  0.10000E+01 volume  0.31328E-02 ppm1      0.990 ppm2      1.492 CV     1
 ASSI {  730}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 65   and name HB% )
      2.900     1.000     1.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.22526E-02 ppm1      0.988 ppm2      1.338 CV     1
 ASSI {  732}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.600     0.600 peak   732 spectrum    1 weight  0.10000E+01 volume  0.61215E-02 ppm1      0.871 ppm2      1.928 CV     1
 ASSI {  733}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG11))
      3.000     1.200     1.200 peak   733 spectrum    1 weight  0.10000E+01 volume  0.28567E-02 ppm1      0.871 ppm2      1.727 CV     1
 ASSI {  740}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.39952E-02 ppm1      1.457 ppm2      8.191 CV     1
 ASSI {  741}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.300     0.600     0.600 peak   741 spectrum    1 weight  0.10000E+01 volume  0.84944E-02 ppm1      1.457 ppm2      3.928 CV     1
 ASSI {  742}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.39060E-02 ppm1      1.459 ppm2      4.193 CV     1
 ASSI {  743}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.500     0.800     0.800 peak   743 spectrum    1 weight  0.10000E+01 volume  0.46578E-02 ppm1      1.045 ppm2      2.404 CV     1
 ASSI {  754}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HG  ))
      2.900     1.000     1.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.28600E-02 ppm1      1.113 ppm2      2.029 CV     1
ASSI {  757}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 45   and name HD2%  ))
      3.600     1.600     1.600 peak   757 spectrum    1 weight  0.10000E+01 volume  0.28600E-02 ppm1      1.144 ppm2      0.341 CV     1
ASSI {  758}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 45   and name HD1%  ))
      3.600     1.600     1.600 peak   758 spectrum    1 weight  0.10000E+01 volume  0.28600E-02 ppm1      1.144 ppm2      0.225 CV     1
ASSI {  759}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      3.600     1.600     1.600 peak   759 spectrum    1 weight  0.10000E+01 volume  0.28600E-02 ppm1      1.144 ppm2      2.383 CV     1
ASSI {  760}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.28600E-02 ppm1      1.144 ppm2      2.383 CV     1
ASSI {  761}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.600     1.600     1.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.28600E-02 ppm1      1.144 ppm2      2.383 CV     1
ASSI {  763}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 35   and name HE%  ))
      3.600     1.600     1.600 peak   763 spectrum    1 weight  0.10000E+01 volume  0.28600E-02 ppm1      1.144 ppm2      2.383 CV     1
ASSI {  763}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.000     1.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.28600E-02 ppm1      1.144 ppm2      2.383 CV     1
ASSI {  763}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.200     1.000     1.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.28600E-02 ppm1      1.144 ppm2      2.383 CV     1
 ASSI {  766}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.400     1.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.73419E-03 ppm1      1.114 ppm2      8.830 CV     1
 ASSI {  767}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak   767 spectrum    1 weight  0.10000E+01 volume  0.73726E-03 ppm1      1.031 ppm2      8.839 CV     1
 ASSI {  771}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      4.000     2.000     2.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.93736E-03 ppm1      0.872 ppm2      3.879 CV     1
 ASSI {  774}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H5A ))
      3.300     3.300     2.700 peak   774 spectrum    1 weight  0.10000E+01 volume  0.11472E-02 ppm1      1.456 ppm2      2.902 CV     1
 OR {  774}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H5B ))
 ASSI {  779}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB2 ))
      3.100     1.200     1.200 peak   779 spectrum    1 weight  0.10000E+01 volume  0.22864E-02 ppm1      0.929 ppm2      2.796 CV     1
 ASSI {  780}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.200     1.200 peak   780 spectrum    1 weight  0.10000E+01 volume  0.41207E-02 ppm1      0.929 ppm2      4.110 CV     1
 ASSI {  781}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      3.700     1.700     1.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.14772E-02 ppm1      0.930 ppm2      3.745 CV     1
 ASSI {  782}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.000     1.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.25453E-02 ppm1      0.929 ppm2      4.648 CV     1
 ASSI {  783}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak   783 spectrum    1 weight  0.10000E+01 volume  0.39322E-02 ppm1      0.929 ppm2      7.498 CV     1
 ASSI {  784}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      4.100     2.100     1.900 peak   784 spectrum    1 weight  0.10000E+01 volume  0.16355E-02 ppm1      0.929 ppm2      8.482 CV     1
 ASSI {  789}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG11))
      3.400     1.400     1.400 peak   789 spectrum    1 weight  0.10000E+01 volume  0.34770E-02 ppm1      1.047 ppm2      1.815 CV     1
 ASSI {  792}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.24502E-02 ppm1      1.338 ppm2      4.443 CV     1
 ASSI {  793}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
      2.300     0.700     0.700 peak   793 spectrum    1 weight  0.10000E+01 volume  0.98833E-02 ppm1      1.338 ppm2      4.011 CV     1
 ASSI {  794}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.800     2.500     3.500 peak   794 spectrum    1 weight  0.10000E+01 volume  0.11179E-02 ppm1      1.337 ppm2      4.191 CV     1
 ASSI {  799}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 60   and name HB  ))
      3.900     1.900     1.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.82496E-03 ppm1      1.338 ppm2      1.791 CV     1
 ASSI {  808}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak   808 spectrum    1 weight  0.10000E+01 volume  0.83422E-02 ppm1      1.523 ppm2      7.840 CV     1
 ASSI {  813}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      3.100     3.100     2.900 peak   813 spectrum    1 weight  0.10000E+01 volume  0.28375E-02 ppm1      1.524 ppm2      4.586 CV     1
 ASSI {  816}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
      2.200     0.600     0.600 peak   816 spectrum    1 weight  0.10000E+01 volume  0.10599E-01 ppm1      1.522 ppm2      4.295 CV     1
 ASSI {  818}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HA ))
      3.600     1.700     1.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.90485E-03 ppm1      1.521 ppm2      4.047 CV     1
 ASSI {  822}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.200     0.600     0.600 peak   822 spectrum    1 weight  0.10000E+01 volume  0.13289E-01 ppm1      1.628 ppm2      4.453 CV     1
 ASSI {  828}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.81940E-02 ppm1      1.628 ppm2      7.618 CV     1
 ASSI {  829}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak   829 spectrum    1 weight  0.10000E+01 volume  0.45658E-02 ppm1      1.629 ppm2      8.275 CV     1
 ASSI {  830}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.200     0.600     0.600 peak   830 spectrum    1 weight  0.10000E+01 volume  0.83337E-02 ppm1      1.658 ppm2      7.719 CV     1
 ASSI {  832}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      2.100     0.600     0.600 peak   832 spectrum    1 weight  0.10000E+01 volume  0.11368E-01 ppm1      1.659 ppm2      4.376 CV     1
 ASSI {  833}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.300     0.600     0.600 peak   833 spectrum    1 weight  0.10000E+01 volume  0.10683E-01 ppm1      1.638 ppm2      8.181 CV     1
 ASSI {  834}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.37860E-02 ppm1      1.658 ppm2      8.381 CV     1
 ASSI {  835}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
      2.700     2.700     3.300 peak   835 spectrum    1 weight  0.10000E+01 volume  0.30213E-02 ppm1      1.600 ppm2      4.020 CV     1
 ASSI {  836}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.13189E-01 ppm1      1.600 ppm2      4.285 CV     1
 ASSI {  838}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak   838 spectrum    1 weight  0.10000E+01 volume  0.11716E-01 ppm1      1.600 ppm2      7.962 CV     1
 ASSI {  842}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   842 spectrum    1 weight  0.10000E+01 volume  0.22400E-02 ppm1      3.322 ppm2      7.527 CV     1
 ASSI {  843}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HG1 ))
      3.500     1.600     1.600 peak   843 spectrum    1 weight  0.10000E+01 volume  0.33393E-02 ppm1      3.323 ppm2      2.247 CV     1
 OR {  843}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  844}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      1.800     0.400     0.400 peak   844 spectrum    1 weight  0.10000E+01 volume  0.48980E-02 ppm1      3.323 ppm2      2.024 CV     1
 ASSI {  845}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.300     0.700     0.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.22642E-02 ppm1      3.325 ppm2      1.633 CV     1
 ASSI {  847}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.900     1.100     1.100 peak   847 spectrum    1 weight  0.10000E+01 volume  0.10809E-02 ppm1      3.322 ppm2      1.395 CV     1
 ASSI {  848}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      3.000     1.100     1.100 peak   848 spectrum    1 weight  0.10000E+01 volume  0.17937E-02 ppm1      3.325 ppm2      1.214 CV     1
 ASSI {  852}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.200     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.12769E-02 ppm1      3.326 ppm2      0.792 CV     1
 ASSI {  854}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.900     0.900 peak   854 spectrum    1 weight  0.10000E+01 volume  0.37427E-02 ppm1      3.882 ppm2      8.722 CV     1
 ASSI {  857}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.200     1.200     1.200 peak   857 spectrum    1 weight  0.10000E+01 volume  0.14065E-02 ppm1      3.881 ppm2      6.743 CV     1
 ASSI {  858}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.000     1.100     1.100 peak   858 spectrum    1 weight  0.10000E+01 volume  0.28972E-02 ppm1      3.881 ppm2      2.153 CV     1
 ASSI {  859}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.700     0.900     0.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.22578E-02 ppm1      3.884 ppm2      1.928 CV     1
 ASSI {  862}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.100     1.200     1.200 peak   862 spectrum    1 weight  0.10000E+01 volume  0.18973E-02 ppm1      3.880 ppm2      0.607 CV     1
 ASSI {  863}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      2.800     0.700     0.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.80151E-02 ppm1      3.882 ppm2      0.793 CV     1
ASSI {  864}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
      3.200     1.300     1.300 peak   864 spectrum    1 weight  0.10000E+01 volume  0.18061E-02 ppm1      3.882 ppm2      1.028 CV     1
 ASSI {  865}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.200     1.300     1.300 peak   865 spectrum    1 weight  0.10000E+01 volume  0.24605E-02 ppm1      3.880 ppm2      1.117 CV     1
ASSI {  867}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.54718E-02 ppm1      3.882 ppm2      1.573 CV     1
 ASSI {  869}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.500     0.800     0.800 peak   869 spectrum    1 weight  0.10000E+01 volume  0.37868E-02 ppm1      4.091 ppm2      1.587 CV     1
 ASSI {  870}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG1 ))
      2.800     1.000     1.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.32144E-02 ppm1      4.091 ppm2      1.354 CV     1
 ASSI {  871}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.000     1.100     1.100 peak   871 spectrum    1 weight  0.10000E+01 volume  0.19833E-02 ppm1      4.094 ppm2      0.983 CV     1
 ASSI {  875}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.24365E-02 ppm1      4.313 ppm2      8.455 CV     1
 ASSI {  878}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.40667E-02 ppm1      4.311 ppm2      1.447 CV     1
 ASSI {  879}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak   879 spectrum    1 weight  0.10000E+01 volume  0.31374E-02 ppm1      4.310 ppm2      2.209 CV     1
 ASSI {  886}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak   886 spectrum    1 weight  0.10000E+01 volume  0.31566E-02 ppm1      4.266 ppm2      7.777 CV     1
 ASSI {  888}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1% )
      2.100     0.500     0.500 peak   888 spectrum    1 weight  0.10000E+01 volume  0.16581E-01 ppm1      4.271 ppm2      0.983 CV     1 CV     1
OR {  843}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HD2% ))
 ASSI {  890}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.200     0.600     0.600 peak   890 spectrum    1 weight  0.10000E+01 volume  0.76856E-02 ppm1      4.268 ppm2      1.661 CV     1
 ASSI {  891}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2  ))
      2.800     2.800     3.200 peak   891 spectrum    1 weight  0.10000E+01 volume  0.81836E-02 ppm1      4.268 ppm2      1.911 CV     1
 ASSI {  896}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.700     0.900     0.900 peak   896 spectrum    1 weight  0.10000E+01 volume  0.45545E-02 ppm1      4.191 ppm2      1.456 CV     1
 ASSI {  905}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.800     1.800     1.800 peak   905 spectrum    1 weight  0.10000E+01 volume  0.22379E-02 ppm1      4.484 ppm2      3.086 CV     1
 ASSI {  906}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.400     0.700     0.700 peak   906 spectrum    1 weight  0.10000E+01 volume  0.62904E-02 ppm1      4.483 ppm2      2.746 CV     1
 ASSI {  908}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.500     1.500 peak   908 spectrum    1 weight  0.10000E+01 volume  0.11309E-02 ppm1      4.484 ppm2      8.873 CV     1
 ASSI {  910}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.900     1.100     1.100 peak   910 spectrum    1 weight  0.10000E+01 volume  0.67892E-02 ppm1      4.370 ppm2      0.732 CV     1  
 ASSI {  911}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.900     1.000     1.000 peak   911 spectrum    1 weight  0.10000E+01 volume  0.23876E-02 ppm1      4.369 ppm2      1.115 CV     1
 ASSI {  912}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.38454E-02 ppm1      4.370 ppm2      1.431 CV     1
 ASSI {  914}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      3.000     1.100     1.100 peak   914 spectrum    1 weight  0.10000E+01 volume  0.20584E-02 ppm1      4.369 ppm2      1.851 CV     1
 ASSI {  915}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.700     0.900     0.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.24894E-02 ppm1      4.370 ppm2      1.979 CV     1
 ASSI {  916}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.100     1.100 peak   916 spectrum    1 weight  0.10000E+01 volume  0.17682E-02 ppm1      4.366 ppm2      8.376 CV     1
 ASSI {  917}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.800     1.800     1.800 peak   917 spectrum    1 weight  0.10000E+01 volume  0.50867E-03 ppm1      4.369 ppm2      9.632 CV     1
 ASSI {  919}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak   919 spectrum    1 weight  0.10000E+01 volume  0.22821E-02 ppm1      4.115 ppm2      7.498 CV     1
 ASSI {  920}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.900     1.000     1.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.34713E-02 ppm1      4.027 ppm2      1.684 CV     1
 ASSI {  921}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      3.000     1.100     1.100 peak   921 spectrum    1 weight  0.10000E+01 volume  0.35272E-02 ppm1      4.030 ppm2      1.116 CV     1
 ASSI {  922}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.600     0.800     0.800 peak   922 spectrum    1 weight  0.10000E+01 volume  0.88141E-02 ppm1      4.029 ppm2      2.024 CV     1
 ASSI {  923}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.600     0.800     0.800 peak   923 spectrum    1 weight  0.10000E+01 volume  0.37364E-02 ppm1      4.030 ppm2      2.262 CV     1
 ASSI {  924}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   924 spectrum    1 weight  0.10000E+01 volume  0.33119E-02 ppm1      4.029 ppm2      8.015 CV     1
 ASSI {  926}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   926 spectrum    1 weight  0.10000E+01 volume  0.16614E-02 ppm1      3.612 ppm2      8.720 CV     1
 ASSI {  927}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak   927 spectrum    1 weight  0.10000E+01 volume  0.30161E-02 ppm1      3.749 ppm2      8.481 CV     1
 ASSI {  928}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.500     0.800     0.800 peak   928 spectrum    1 weight  0.10000E+01 volume  0.30539E-02 ppm1      3.613 ppm2      2.156 CV     1
 ASSI {  929}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.800     1.000     1.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.32823E-02 ppm1      3.613 ppm2      1.863 CV     1
 ASSI {  930}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.100     0.600     0.600 peak   930 spectrum    1 weight  0.10000E+01 volume  0.52666E-02 ppm1      3.612 ppm2      1.624 CV     1
 ASSI {  931}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
      2.300     0.700     0.700 peak   931 spectrum    1 weight  0.10000E+01 volume  0.48794E-02 ppm1      3.612 ppm2      1.541 CV     1
 ASSI {  932}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.500     1.500     1.500 peak   932 spectrum    1 weight  0.10000E+01 volume  0.16107E-02 ppm1      3.611 ppm2      0.841 CV     1
 ASSI {  933}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      2.800     1.000     1.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.18084E-02 ppm1      3.613 ppm2      0.788 CV     1
 ASSI {  934}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.200     2.200     1.800 peak   934 spectrum    1 weight  0.10000E+01 volume  0.14940E-02 ppm1      3.613 ppm2      1.043 CV     1
 ASSI {  935}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      2.800     1.000     1.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.36351E-02 ppm1      3.613 ppm2      0.474 CV     1
 ASSI {  939}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.52409E-02 ppm1      3.551 ppm2      2.028 CV     1
 OR {  939}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  940}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.800     1.800     1.800 peak   940 spectrum    1 weight  0.10000E+01 volume  0.16250E-02 ppm1      3.554 ppm2      7.323 CV     1
 ASSI {  942}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   942 spectrum    1 weight  0.10000E+01 volume  0.22537E-02 ppm1      2.050 ppm2      8.460 CV     1
 ASSI {  947}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 13   and name HB% )
      3.000     1.100     1.100 peak   947 spectrum    1 weight  0.10000E+01 volume  0.12292E-02 ppm1      2.048 ppm2      1.656 CV     1
 ASSI {  960}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD1 ))
      2.500     0.800     0.800 peak   960 spectrum    1 weight  0.10000E+01 volume  0.18961E-02 ppm1      2.202 ppm2      4.043 CV     1
 ASSI {  963}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 38   and name HD1%)
      2.700     2.700     3.300 peak   963 spectrum    1 weight  0.10000E+01 volume  0.15945E-02 ppm1      2.205 ppm2      0.889 CV     1
 ASSI {  971}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.600     1.600     1.600 peak   971 spectrum    1 weight  0.10000E+01 volume  0.29323E-02 ppm1      2.326 ppm2      8.458 CV     1
 ASSI {  972}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   972 spectrum    1 weight  0.10000E+01 volume  0.22840E-02 ppm1      2.418 ppm2      8.466 CV     1
 OR {  972}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  999}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HB2 ))
      1.700     0.400     0.500 peak   999 spectrum    1 weight  0.10000E+01 volume  0.15733E-01 ppm1      2.050 ppm2      1.855 CV     1
 ASSI { 1001}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
      3.100     1.200     1.200 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.19586E-02 ppm1      2.056 ppm2      3.262 CV     1
 ASSI { 1004}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.100     1.200     1.200 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.27146E-02 ppm1      2.077 ppm2      4.531 CV     1
 ASSI { 1005}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD2 ))
      3.100     1.200     1.200 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.16078E-02 ppm1      2.079 ppm2      3.565 CV     1
 ASSI { 1006}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 64   and name HG2%)
      3.000     1.100     1.100 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.23345E-02 ppm1      2.076 ppm2      0.984 CV     1
 ASSI { 1007}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD1 ))
      3.900     1.900     1.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.14238E-02 ppm1      2.075 ppm2      4.013 CV     1
 ASSI { 1038}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA ))
      3.300     1.300     1.300 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.22423E-02 ppm1      2.763 ppm2      4.118 CV     1
 ASSI { 1057}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG2 ))
      3.100     1.200     1.200 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.11123E-02 ppm1      4.014 ppm2      2.120 CV     1
 OR { 1057}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG1 ))
 ASSI { 1062}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.300     0.700     0.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.72195E-02 ppm1      3.565 ppm2      2.122 CV     1
 OR { 1062}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 1063}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HG2%)
      2.300     0.700     0.700 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.64948E-02 ppm1      3.566 ppm2      0.986 CV     1
 ASSI { 1064}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HD1 ))
      1.600     0.300     0.600 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.19524E-01 ppm1      3.566 ppm2      4.013 CV     1
 ASSI { 1066}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.63786E-02 ppm1      3.565 ppm2      4.595 CV     1
 ASSI { 1067}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 39   and name HA1 ))
      1.700     0.400     0.500 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.22850E-01 ppm1      3.859 ppm2      4.246 CV     1
 ASSI { 1075}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HA1 ))
      1.700     0.400     0.500 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.22807E-01 ppm1      3.882 ppm2      4.251 CV     1
 ASSI { 1078}
   (( segid "    " and resid 65   and name HA ))
   (( segid "    " and resid 60   and name HG2% ))
      2.800     0.900     0.900 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.22807E-01 ppm1      4.009 ppm2      0.967 CV     1
 ASSI { 1080}
   (( segid "    " and resid 65   and name HA ))
   (( segid "    " and resid 68   and name HG2% ))
      2.800     0.900     0.900 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.22807E-01 ppm1      4.009 ppm2      1.139 CV     1
 ASSI { 1081}
   (( segid "    " and resid 65   and name HA ))
   (( segid "    " and resid 65   and name HB% ))
      2.800     0.900     0.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.22807E-01 ppm1      4.009 ppm2      1.339 CV     1
 ASSI { 1082}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HN ))
      2.800     0.900     0.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.22807E-01 ppm1      4.022 ppm2      7.620 CV     1
 ASSI { 1084}
   (( segid "    " and resid 65   and name HA ))
   (( segid "    " and resid 66   and name HN  ))
      2.800     0.900     0.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.22807E-01 ppm1      4.009 ppm2      8.047 CV     1
 ASSI { 1086}
   (( segid "    " and resid 65   and name HA ))
   (( segid "    " and resid 65   and name HN  ))
      3.000     0.900     0.900 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.22807E-01 ppm1      4.009 ppm2      8.177 CV     1
 ASSI { 1087}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 83   and name HB% )
      3.200     1.300     1.300 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.29525E-02 ppm1      4.024 ppm2      1.606 CV     1
 OR { 1087}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 83   and name HB% )
 ASSI { 1090}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.70551E-02 ppm1      4.056 ppm2      8.246 CV     1
 ASSI { 1093}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.27037E-02 ppm1      4.089 ppm2      7.496 CV     1
 OR { 1093}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 1096}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.33204E-02 ppm1      4.536 ppm2      8.542 CV     1
 ASSI { 1097}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.700     0.900     0.900 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.77996E-02 ppm1      4.536 ppm2      2.829 CV     1
 ASSI { 1098}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.400     0.700     0.700 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.73934E-02 ppm1      4.537 ppm2      2.737 CV     1
 ASSI { 1099}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.300     0.700     0.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.90650E-02 ppm1      4.444 ppm2      2.774 CV     1
 OR { 1099}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 1102}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.700     0.900     0.900 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.44852E-02 ppm1      4.475 ppm2      2.233 CV     1
 ASSI { 1103}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.32407E-02 ppm1      4.474 ppm2      2.070 CV     1
 ASSI { 1104}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.100     1.200     1.200 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.33308E-02 ppm1      4.475 ppm2      2.413 CV     1
 OR { 1104}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 1105}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
      2.400     0.700     0.700 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.76276E-02 ppm1      4.470 ppm2      1.567 CV     1
 ASSI { 1106}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.900     0.900 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.69757E-02 ppm1      4.474 ppm2      8.249 CV     1
 ASSI { 1108}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.40933E-02 ppm1      4.475 ppm2      8.466 CV     1
 ASSI { 1109}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.700     0.900     0.900 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.40933E-02 ppm1      4.284 ppm2      7.962 CV     1
 ASSI { 1110}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.000     0.900     0.900 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.40933E-02 ppm1      4.284 ppm2      7.761 CV     1
 ASSI { 1111}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB%  ))
      2.700     0.900     0.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.40933E-02 ppm1      4.283 ppm2      1.601 CV     1
 ASSI { 1113}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.200     0.600     0.600 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.11628E-01 ppm1      4.263 ppm2      1.638 CV     1
 ASSI { 1116}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.600     0.800     0.800 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.41001E-02 ppm1      4.335 ppm2      1.786 CV     1
 OR { 1116}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1119}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     0.900     0.900 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.44611E-02 ppm1      4.357 ppm2      8.240 CV     1
 ASSI { 1120}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.25843E-02 ppm1      4.359 ppm2      8.154 CV     1
 ASSI { 1122}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.52280E-02 ppm1      4.361 ppm2      1.257 CV     1
 ASSI { 1127}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HB% )
      2.300     0.600     0.600 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.11580E-01 ppm1      4.357 ppm2      1.525 CV     1
 ASSI { 1128}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.500     0.800     0.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.49684E-02 ppm1      4.591 ppm2      2.049 CV     1
 ASSI { 1129}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.36515E-02 ppm1      4.595 ppm2      1.849 CV     1
 ASSI { 1130}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      2.700     0.900     0.900 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.49566E-02 ppm1      4.591 ppm2      1.723 CV     1
 OR { 1130}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1134}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.800     0.800 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.36789E-02 ppm1      4.544 ppm2      1.382 CV     1 
 ASSI { 1135}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
      2.500     0.800     0.800 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.54110E-02 ppm1      4.542 ppm2      1.573 CV     1
 OR { 1135}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1143}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.600     0.800     0.800 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.42324E-02 ppm1      4.260 ppm2      2.361 CV     1
 ASSI { 1147}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      2.600     0.800     0.800 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.67325E-02 ppm1      0.894 ppm2      2.407 CV     1
 ASSI { 1149}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG12  ))
      2.600     0.800     0.800 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.67325E-02 ppm1      0.893 ppm2      1.824 CV     1
 ASSI { 1158}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
      1.900     0.500     0.500 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.85859E-02 ppm1      2.772 ppm2      3.083 CV     1
 ASSI { 1162}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.29054E-02 ppm1      2.888 ppm2      4.848 CV     1
 ASSI { 1164}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HB2 ))
      1.700     0.400     0.500 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.13704E-01 ppm1      3.455 ppm2      2.808 CV     1
 ASSI { 1166}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      2.400     0.700     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.51428E-02 ppm1      3.457 ppm2      7.428 CV     1
 ASSI { 1167}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.17130E-02 ppm1      4.295 ppm2      8.444 CV     1
 ASSI { 1169}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HE  ))
      2.700     0.900     0.900 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.29876E-02 ppm1      3.487 ppm2      9.064 CV     1
 ASSI { 1171}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HD2 ))
      1.600     0.300     0.600 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.12572E-01 ppm1      3.487 ppm2      3.024 CV     1
 ASSI { 1173}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB2 ))
      2.200     0.600     0.600 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.41264E-02 ppm1      3.487 ppm2      1.642 CV     1
 ASSI { 1174}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.700     0.900     0.900 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.26684E-02 ppm1      3.487 ppm2      1.520 CV     1
 ASSI { 1175}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      1.700     0.400     0.500 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.97100E-02 ppm1      3.538 ppm2      3.085 CV     1
 ASSI { 1177}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.700     0.900     0.900 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.27277E-02 ppm1      3.536 ppm2      7.169 CV     1
 ASSI { 1178}
   (( segid "    " and resid 41   and name HB1 ))
   (  segid "    " and resid 42   and name HN )
      3.000     0.900     0.900 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.27277E-02 ppm1      3.279 ppm2      8.929 CV     1
 ASSI { 1180}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
      1.700     0.400     0.500 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.16089E-01 ppm1      3.280 ppm2      2.858 CV     1
 ASSI { 1181}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HB2 ))
      1.700     0.400     0.500 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.20950E-01 ppm1      3.036 ppm2      2.363 CV     1
 ASSI { 1183}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      1.700     0.400     0.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.12451E-01 ppm1      3.036 ppm2      3.304 CV     1
 ASSI { 1184}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.38936E-02 ppm1      3.030 ppm2      4.542 CV     1
 ASSI { 1186}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.29095E-02 ppm1      3.035 ppm2      4.722 CV     1
 ASSI { 1187}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.38777E-02 ppm1      3.036 ppm2      5.050 CV     1
 ASSI { 1188}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      2.400     0.700     0.700 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.34406E-02 ppm1      3.035 ppm2      7.309 CV     1
 ASSI { 1190}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.16853E-02 ppm1      2.677 ppm2      8.043 CV     1
 ASSI { 1191}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.16853E-02 ppm1      2.677 ppm2      8.043 CV     1
 ASSI { 1193}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.30815E-02 ppm1      3.302 ppm2      4.722 CV     1
 ASSI { 1194}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      2.600     0.800     0.800 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.36948E-02 ppm1      3.304 ppm2      7.307 CV     1
 ASSI { 1195}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     0.800     0.800 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.40966E-02 ppm1      4.020 ppm2      8.047 CV     1
 ASSI { 1197}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
      2.700     0.900     0.900 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.11067E-01 ppm1      4.222 ppm2      0.984 CV     1
 OR { 1197}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 5340}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HB2 )
      3.000     0.900     0.900 peak  5340 spectrum    1 weight  0.10000E+01 volume  0.11067E-01 ppm1      4.225 ppm2      1.565 CV     1
 ASSI { 1199}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG  ))
      3.100     1.200     1.200 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.20909E-02 ppm1      4.219 ppm2      1.847 CV     1
 ASSI { 1200}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.700     0.900     0.900 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.26325E-02 ppm1      4.221 ppm2      2.000 CV     1
 ASSI { 1201}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.25638E-02 ppm1      4.223 ppm2      8.276 CV     1
 ASSI { 1203}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.40371E-02 ppm1      4.261 ppm2      8.188 CV     1
 ASSI { 1210}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.20651E-02 ppm1      4.538 ppm2      9.418 CV     1
 ASSI { 1215}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.23692E-02 ppm1      1.930 ppm2      8.872 CV     1
 ASSI { 1219}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HB  ))
      2.700     0.900     0.900 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.15969E-02 ppm1      2.920 ppm2      4.594 CV     1
 ASSI { 1220}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HD1 ))
      1.800     0.400     0.400 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.64915E-02 ppm1      2.919 ppm2      4.043 CV     1
 ASSI { 1221}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB1 ))
      3.500     1.500     1.500 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.21490E-02 ppm1      2.918 ppm2      2.213 CV     1
 ASSI { 1223}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 70   and name HG2%)
      4.100     2.100     1.900 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.11047E-02 ppm1      2.920 ppm2      1.042 CV     1
 ASSI { 1228}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG1 ))
      2.500     0.800     0.800 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.26900E-02 ppm1      4.037 ppm2      2.213 CV     1
 OR { 1228}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 1229}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.300     0.700     0.700 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.29010E-02 ppm1      4.042 ppm2      4.911 CV     1
 ASSI { 1234}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      4.000     2.000     2.000 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.10595E-02 ppm1      4.260 ppm2      8.082 CV     1
 ASSI { 1241}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.900     1.000     1.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.28074E-02 ppm1      4.469 ppm2      7.840 CV     1
 ASSI { 1242}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      2.100     0.600     0.600 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.11518E-01 ppm1      4.376 ppm2      1.660 CV     1
 ASSI { 1243}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG  ))
      3.200     1.300     1.300 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.19800E-02 ppm1      4.361 ppm2      1.586 CV     1
 ASSI { 1246}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.000     1.200     1.200 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.32051E-02 ppm1      4.116 ppm2      2.762 CV     1
 ASSI { 1247}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.400     0.700     0.700 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.37433E-02 ppm1      4.116 ppm2      2.473 CV     1
 ASSI { 1249}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      2.400     0.700     0.700 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.40749E-02 ppm1      4.116 ppm2      0.936 CV     1
 ASSI { 1250}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.21706E-02 ppm1      4.108 ppm2      8.179 CV     1
 ASSI { 1254}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.900     0.900 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      4.116 ppm2      8.881 CV     1
 ASSI { 1255}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.900     0.900 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      4.202 ppm2      8.931 CV     1
 ASSI { 1264}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.200     1.300     1.300 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.19024E-02 ppm1      4.367 ppm2      3.091 CV     1
 ASSI { 1266}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.41177E-02 ppm1      4.374 ppm2      8.070 CV     1
 ASSI { 1280}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.58955E-02 ppm1      4.553 ppm2      4.040 CV     1
 ASSI { 1284}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      2.800     1.000     1.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.46383E-02 ppm1      4.356 ppm2      2.508 CV     1
 OR { 1284}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 1285}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.800     1.800     1.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.11543E-02 ppm1      4.242 ppm2      7.981 CV     1
 ASSI { 1309}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.35713E-02 ppm1      2.823 ppm2      4.584 CV     1
 ASSI { 1316}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      2.500     0.800     0.800 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.44669E-02 ppm1      2.807 ppm2      7.431 CV     1
 ASSI { 1318}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.62663E-02 ppm1      2.705 ppm2      8.241 CV     1
 OR { 1318}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1325}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.000     1.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.32366E-02 ppm1      2.671 ppm2      4.850 CV     1
 ASSI { 1332}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      4.200     2.200     1.800 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.12535E-02 ppm1      2.960 ppm2      7.168 CV     1
 ASSI { 1333}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     1.000     1.000 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.17929E-02 ppm1      2.957 ppm2      4.586 CV     1
 ASSI { 1349}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HG  ))
      2.600     0.800     0.800 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.32815E-02 ppm1      2.157 ppm2      1.683 CV     1
 ASSI { 1352}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 38   and name HD1%)
      2.600     0.900     0.900 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.40360E-02 ppm1      2.406 ppm2      0.894 CV     1
 ASSI { 1353}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG  ))
      2.500     0.800     0.800 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.31010E-02 ppm1      2.401 ppm2      0.942 CV     1
 ASSI { 1354}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
      3.100     1.200     1.200 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.20922E-02 ppm1      2.405 ppm2      1.129 CV     1
 ASSI { 1358}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.42338E-02 ppm1      2.406 ppm2      4.579 CV     1
 ASSI { 1364}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.500     1.500 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.24077E-02 ppm1      2.623 ppm2      8.247 CV     1
 ASSI { 1365}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.300     1.300 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.23024E-02 ppm1      2.621 ppm2      4.199 CV     1
 ASSI { 1366}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.33719E-02 ppm1      2.622 ppm2      2.133 CV     1
 ASSI { 1369}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG1%)
      2.100     0.600     0.600 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.11718E-01 ppm1      2.382 ppm2      1.135 CV     1
 ASSI { 1372}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HB2 ))
      1.700     0.400     0.500 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.20664E-01 ppm1      2.518 ppm2      2.091 CV     1
 OR { 1372}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG2 ))
 OR { 1372}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG1 ))
 ASSI { 1376}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      2.300     0.700     0.700 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.72959E-02 ppm1      2.264 ppm2      1.114 CV     1
 ASSI { 1381}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.400     0.700     0.700 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.79078E-02 ppm1      1.851 ppm2      1.729 CV     1
 ASSI { 1382}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.25340E-02 ppm1      0.788 ppm2      3.739 CV     1
 ASSI { 1385}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HD%  ))
      4.100     1.200     1.200 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.25340E-02 ppm1      0.896 ppm2      7.308 CV     1
 ASSI { 1387}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      3.800     1.800     1.800 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.12252E-02 ppm1      0.789 ppm2      8.299 CV     1
 ASSI { 1388}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      2.800     1.000     1.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.39731E-02 ppm1      0.789 ppm2      1.930 CV     1
 ASSI { 1389}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      2.300     0.700     0.700 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.62781E-02 ppm1      0.789 ppm2      1.718 CV     1
 ASSI { 1396}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB1 ))
      3.500     1.600     1.600 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.16658E-02 ppm1      3.538 ppm2      2.962 CV     1
 ASSI { 1397}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.10806E-02 ppm1      3.537 ppm2      2.824 CV     1
 ASSI { 1399}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.400     1.500     1.500 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.18406E-02 ppm1      4.393 ppm2      2.475 CV     1
 ASSI { 1400}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.900     1.100     1.100 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.38408E-02 ppm1      4.389 ppm2      2.275 CV     1
 ASSI { 1406}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB1 ))
      2.700     0.900     0.900 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.27833E-02 ppm1      6.975 ppm2      2.962 CV     1
 ASSI { 1407}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      2.500     0.800     0.800 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.32437E-02 ppm1      6.975 ppm2      2.825 CV     1
 ASSI { 1408}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.22400E-02 ppm1      6.975 ppm2      4.586 CV     1
 ASSI { 1413}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
      3.100     1.200     1.200 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.18458E-02 ppm1      7.306 ppm2      0.891 CV     1
 ASSI { 1414}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HG1 ))
      2.600     0.800     0.800 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.23738E-02 ppm1      7.307 ppm2      2.210 CV     1
 ASSI { 1416}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HB1 ))
      2.600     0.900     0.900 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.41472E-02 ppm1      7.308 ppm2      3.306 CV     1
 ASSI { 1421}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.25025E-02 ppm1      7.428 ppm2      4.310 CV     1
 ASSI { 1423}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HB2 ))
      2.500     0.800     0.800 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.41579E-02 ppm1      7.428 ppm2      2.809 CV     1
 ASSI { 1424}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 56   and name HE% )
      2.100     0.500     0.500 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.10959E-01 ppm1      7.428 ppm2      6.810 CV     1
 ASSI { 1425}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.100     1.100 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.28813E-02 ppm1      7.427 ppm2      4.699 CV     1
 ASSI { 1431}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 40   and name HE% )
      1.800     0.400     0.400 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.21166E-01 ppm1      6.976 ppm2      6.738 CV     1
 ASSI { 1443}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.700     0.900     0.900 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.39555E-02 ppm1      5.289 ppm2      2.981 CV     1
 ASSI { 1444}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.900     1.000     1.000 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.39996E-02 ppm1      5.287 ppm2      2.856 CV     1
 ASSI { 1445}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.000     1.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.29339E-02 ppm1      6.809 ppm2      0.632 CV     1
 ASSI { 1446}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD2%)
      2.300     0.700     0.700 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.78683E-02 ppm1      6.810 ppm2      1.017 CV     1
 ASSI { 1448}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      2.300     2.300     3.700 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.16665E-02 ppm1      6.740 ppm2      4.369 CV     1
 ASSI { 1449}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 44   and name HB% )
      2.700     0.900     0.900 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.48177E-02 ppm1      6.740 ppm2      1.521 CV     1
 ASSI { 1550}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
      2.800     0.900     0.900 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.47186E-02 ppm1      0.792 ppm2      1.377 CV     1  
 ASSI { 1451}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      2.900     1.000     1.000 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.25152E-02 ppm1      6.740 ppm2      0.730 CV     1
 ASSI { 1453}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
      3.300     1.400     1.400 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.17096E-02 ppm1      6.809 ppm2      3.006 CV     1
 ASSI { 1534}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      4.300     2.300     1.700 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.13753E-02 ppm1      0.476 ppm2      1.877 CV     1
 ASSI { 1537}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.400     1.400     1.400 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.14858E-02 ppm1      0.601 ppm2      1.927 CV     1
 ASSI { 1538}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 78   and name HB  ))
      3.900     1.900     1.900 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.84687E-03 ppm1      0.641 ppm2      1.926 CV     1
 ASSI { 1540}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.500     1.600     1.600 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.18976E-02 ppm1      0.475 ppm2      7.321 CV     1
 ASSI { 1541}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      4.000     2.000     2.000 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.12976E-02 ppm1      0.475 ppm2      9.027 CV     1
 ASSI { 1542}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HN  ))
      4.400     2.400     1.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.10587E-02 ppm1      0.341 ppm2      8.400 CV     1
 ASSI { 1546}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.16015E-02 ppm1      0.690 ppm2      3.032 CV     1
 ASSI { 1548}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 40   and name HE% ))
      3.800     1.800     1.800 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.16015E-02 ppm1      0.733 ppm2      6.744 CV     1
 ASSI { 1551}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
      3.000     3.000     3.000 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.73696E-03 ppm1      0.792 ppm2      8.853 CV     1
 ASSI { 1554}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB1 ))
      3.800     1.800     1.800 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.91419E-03 ppm1      0.886 ppm2      3.080 CV     1
 ASSI { 1556}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      2.300     0.700     0.700 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.79165E-02 ppm1      0.947 ppm2      2.188 CV     1
 ASSI { 1560}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN ))
      3.300     1.800     1.800 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.16015E-02 ppm1      0.952 ppm2      8.441 CV     1
 ASSI { 1561}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.000     1.100     1.100 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.13148E-02 ppm1      0.930 ppm2      3.455 CV     1
 ASSI { 1562}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.800     1.800     1.800 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.23147E-02 ppm1      0.928 ppm2      2.352 CV     1
 ASSI { 1563}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.72734E-02 ppm1      0.928 ppm2      2.123 CV     1
 ASSI { 1568}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.37337E-02 ppm1      1.032 ppm2      8.464 CV     1
 ASSI { 1578}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.700     0.900     0.900 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.38397E-02 ppm1      1.038 ppm2      4.911 CV     1
 ASSI { 1592}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD1 ))
      3.200     1.300     1.300 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.23250E-02 ppm1      1.352 ppm2      3.079 CV     1
 ASSI { 1593}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.600     0.900     0.900 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.21317E-02 ppm1      1.353 ppm2      3.005 CV     1
 ASSI { 1599}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.000     1.000 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.10949E-02 ppm1      2.075 ppm2      7.437 CV     1
 ASSI { 1604}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.100     1.100 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.22303E-02 ppm1      1.861 ppm2      9.031 CV     1
 ASSI { 1609}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HG1 ))
      1.800     0.400     0.400 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.84438E-02 ppm1      1.627 ppm2      1.933 CV     1
 ASSI { 1613}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.27852E-02 ppm1      1.850 ppm2      8.274 CV     1
 ASSI { 1617}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD1%)
      2.700     0.900     0.900 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.29358E-02 ppm1      1.848 ppm2      0.737 CV     1
 ASSI { 1618}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.400     1.400 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.17012E-02 ppm1      1.410 ppm2      3.550 CV     1
 ASSI { 1620}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HB  ))
      3.400     1.400     1.400 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.14366E-02 ppm1      1.509 ppm2      2.397 CV     1
 ASSI { 1623}
   (( segid "    " and resid 72   and name HG1  ))
   (  segid "    " and resid 72   and name HD2)
      3.100     1.500     1.500 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.14556E-01 ppm1      1.687 ppm2      0.865 CV     1
 ASSI { 1626}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.000     1.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.38999E-02 ppm1      2.507 ppm2      4.359 CV     1
 OR { 1626}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1628}
   (( segid "    " and resid 72   and name HG1))
   (( segid "    " and resid 72   and name HD2  ))
      3.200     1.400     1.400 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.14366E-02 ppm1      1.509 ppm2      2.397 CV     1
 ASSI { 1634}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.100     1.200     1.200 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.11844E-02 ppm1      0.230 ppm2      7.166 CV     1
 ASSI { 1635}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.68382E-02 ppm1      0.340 ppm2      1.392 CV     1
 ASSI { 1638}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.64266E-02 ppm1      0.228 ppm2      1.388 CV     1
 ASSI { 1640}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.100     1.100 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.38630E-02 ppm1      2.918 ppm2      4.912 CV     1
 ASSI { 1642}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.600     0.900     0.900 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.41338E-02 ppm1      3.022 ppm2      1.639 CV     1
 ASSI { 1643}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB2 ))
      3.000     1.100     1.100 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.23151E-02 ppm1      3.021 ppm2      1.520 CV     1
 ASSI { 1647}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HE  ))
      2.600     0.800     0.800 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.40185E-02 ppm1      3.023 ppm2      9.065 CV     1
 ASSI { 1675}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 35   and name HD% )
      2.700     0.900     0.900 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.23097E-02 ppm1      6.965 ppm2      7.170 CV     1
 ASSI { 1703}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 74   and name HB1)
      2.800     0.700     0.700 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.69598E-02 ppm1      4.589 ppm2      1.039 CV     1
 ASSI { 1705}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 70   and name HG2%)
      2.300     0.700     0.700 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.69598E-02 ppm1      4.589 ppm2      1.039 CV     1
 ASSI { 1708}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.700     1.700     1.700 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.13139E-02 ppm1      2.608 ppm2      7.828 CV     1
 ASSI { 1715}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.200     1.300     1.300 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.19303E-02 ppm1      2.215 ppm2      9.630 CV     1
 ASSI { 1724}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.100     1.100 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      1.129 ppm2      4.594 CV     1
 ASSI { 1725}
   (( segid "    " and resid 33   and name HD2%))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.100     1.100 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      1.054 ppm2      4.342 CV     1
 ASSI { 1727}
   (( segid "    " and resid 52   and name HD1%))
   (( segid "    " and resid 10   and name HA  ))
      3.900     1.100     1.100 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      0.867 ppm2      4.211 CV     1
 ASSI { 1728}
   (( segid "    " and resid 14   and name HD2%))
   (( segid "    " and resid 11   and name HA  ))
      4.200     1.100     1.100 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      0.884 ppm2      3.549 CV     1
 ASSI { 1733}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.11953E-02 ppm1      1.879 ppm2      4.308 CV     1
 ASSI { 1741}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.49851E-02 ppm1      1.117 ppm2      2.301 CV     1
 ASSI { 1747}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.33196E-02 ppm1      1.575 ppm2      9.419 CV     1
 ASSI { 1753}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.000     1.000 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.27562E-02 ppm1      5.288 ppm2      9.057 CV     1
 ASSI { 1755}
   (( segid "    " and resid 41   and name HA ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.100     1.100 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      4.745 ppm2      8.929 CV     1
 ASSI { 1759}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.100     0.500     0.500 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.17087E-01 ppm1      4.387 ppm2      8.155 CV     1
 ASSI { 1762}
   (( segid "    " and resid 9    and name HA ))
   (( segid "    " and resid 9   and name HN  ))
      2.900     1.100     1.100 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      4.541 ppm2      7.895 CV     1
 ASSI { 1764}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.28561E-02 ppm1      4.591 ppm2      7.648 CV     1
 ASSI { 1765}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.900     1.000     1.000 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.30007E-02 ppm1      4.590 ppm2      7.544 CV     1
 ASSI { 1766}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.100     1.200     1.200 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.22795E-02 ppm1      4.537 ppm2      7.444 CV     1
 ASSI { 1767}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.500     1.500 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.11438E-02 ppm1      4.356 ppm2      7.591 CV     1
 ASSI { 1768}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.13435E-02 ppm1      4.204 ppm2      7.720 CV     1
 ASSI { 1769}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.400     1.400 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.12000E-02 ppm1      4.030 ppm2      7.719 CV     1
 ASSI { 1773}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.12597E-02 ppm1      4.193 ppm2      8.701 CV     1
 ASSI { 1774}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.100     1.200     1.200 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.18753E-02 ppm1      2.351 ppm2      8.880 CV     1
 ASSI { 1776}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.16818E-02 ppm1      1.112 ppm2      8.703 CV     1
 ASSI { 1779}
   (( segid "    " and resid 77   and name HB2))
   (( segid "    " and resid 77   and name HN  ))
      2.900     1.100     1.100 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      1.915 ppm2      7.978 CV     1
 ASSI { 1785}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.000     1.000 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.16476E-02 ppm1      1.428 ppm2      8.468 CV     1
 ASSI { 1786}
   (( segid "    " and resid 45  and name HB1 ))
   (( segid "    " and resid 45  and name HA  ))
      2.800      0.900     0.900 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.041 ppm2      8.033 CV     1
 ASSI { 1787}
   (( segid "    " and resid 45  and name HB2 ))
   (( segid "    " and resid 40  and name HD%  ))
      2.800      0.900     0.900 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.041 ppm2      8.033 CV     1
 ASSI { 1788}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.400     1.400 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.14353E-02 ppm1      1.125 ppm2      7.770 CV     1
 ASSI { 1789}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.24690E-02 ppm1      1.787 ppm2      7.216 CV     1
 ASSI { 1791}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      2.700     0.900     0.900 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.15170E-02 ppm1      2.256 ppm2      7.218 CV     1
 ASSI { 1792}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.500     1.500 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.21954E-02 ppm1      2.000 ppm2      4.903 CV     1
 ASSI { 1793}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.600     1.600 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.14468E-02 ppm1      1.563 ppm2      4.899 CV     1
 ASSI { 1794}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.100     1.100 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.26242E-02 ppm1      1.579 ppm2      4.542 CV     1
 ASSI { 1800}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 57   and name HA1 ))
      2.400     2.400     3.600 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.14349E-02 ppm1      0.973 ppm2      4.099 CV     1
 ASSI { 1802}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
      2.200     0.600     0.600 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.94572E-02 ppm1      1.125 ppm2      2.390 CV     1
 ASSI { 1807}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      2.600     0.900     0.900 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.35381E-02 ppm1      1.574 ppm2      0.615 CV     1
 OR { 1807}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1809}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.000     1.000 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.27037E-02 ppm1      1.370 ppm2      0.625 CV     1
 OR { 1809}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1814}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.800     1.000     1.000 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.24063E-02 ppm1      1.879 ppm2      0.990 CV     1
 ASSI { 1816}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
      2.400     0.700     0.700 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.98338E-02 ppm1      2.007 ppm2      0.977 CV     1
 ASSI { 1817}
   (( segid "    " and resid 77   and name HB2))
   (( segid "    " and resid 77   and name HD1%  ))
      2.900     1.100     1.100 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      1.916 ppm2      0.964 CV     1
 ASSI { 1824}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
      2.600     0.900     0.900 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.44510E-02 ppm1      1.849 ppm2      1.032 CV     1
 OR { 1824}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 1825}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
      2.400     0.700     0.700 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.60070E-02 ppm1      1.824 ppm2      0.989 CV     1
 ASSI { 1827}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
      2.500     0.800     0.800 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.39980E-02 ppm1      1.928 ppm2      0.873 CV     1
 ASSI { 1834}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HD1%)
      3.000     1.100     1.100 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.29536E-02 ppm1      1.930 ppm2      0.792 CV     1
 ASSI { 1838}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      3.900     1.900     1.900 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.15467E-02 ppm1      4.201 ppm2      0.340 CV     1
 ASSI { 1839}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      2.900     1.100     1.100 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.39060E-02 ppm1      4.542 ppm2      0.626 CV     1
 OR { 1839}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1840}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      2.400     0.700     0.700 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.64972E-02 ppm1      4.580 ppm2      1.049 CV     1
 ASSI { 1843}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
      2.100     0.600     0.600 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.87867E-02 ppm1      4.202 ppm2      1.037 CV     1
 ASSI { 1846}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.500     0.800     0.800 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.59270E-02 ppm1      4.197 ppm2      1.637 CV     1
 ASSI { 1847}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      2.800     1.000     1.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.35025E-02 ppm1      4.203 ppm2      1.662 CV     1
 ASSI { 1849}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.600     1.600     1.600 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.80858E-03 ppm1      4.219 ppm2      1.568 CV     1
 ASSI { 1850}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.100     1.200     1.200 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.35074E-02 ppm1      4.226 ppm2      1.716 CV     1
 ASSI { 1852}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.58177E-02 ppm1      4.091 ppm2      1.877 CV     1
 ASSI { 1853}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.700     0.900     0.900 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.28786E-02 ppm1      4.030 ppm2      1.919 CV     1
 ASSI { 1854}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.000     1.100     1.100 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.22383E-02 ppm1      4.201 ppm2      1.884 CV     1
 ASSI { 1855}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.100     1.200     1.200 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.12957E-02 ppm1      4.371 ppm2      2.017 CV     1
 ASSI { 1857}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.56082E-02 ppm1      4.226 ppm2      2.007 CV     1
 ASSI { 1878}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.800     1.000     1.000 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.24843E-02 ppm1      5.289 ppm2      7.168 CV     1
 ASSI { 1885}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.300     1.300 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.14544E-02 ppm1      5.285 ppm2      7.454 CV     1
 ASSI { 1887}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.600     0.800     0.800 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.38336E-02 ppm1      4.393 ppm2      7.760 CV     1
 ASSI { 1888}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.31870E-02 ppm1      4.374 ppm2      7.718 CV     1
 ASSI { 1890}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.400     1.400 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.12470E-02 ppm1      4.358 ppm2      7.723 CV     1
 ASSI { 1891}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.42606E-02 ppm1      4.323 ppm2      8.566 CV     1
 ASSI { 1906}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      3.400     3.400     2.600 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.21524E-02 ppm1      1.431 ppm2      0.342 CV     1
 ASSI { 1907}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
      2.800     1.000     1.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.21524E-02 ppm1      1.431 ppm2      0.342 CV     1
 ASSI { 1912}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.700     0.300     0.500 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.10343E-01 ppm1      2.313 ppm2      1.575 CV     1
 ASSI { 1913}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
      2.500     0.800     0.800 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.26510E-02 ppm1      2.311 ppm2      1.886 CV     1
 ASSI { 1915}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HG2 ))
      1.700     0.400     0.500 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.13861E-01 ppm1      2.761 ppm2      2.357 CV     1
 OR { 1915}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1916}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HG1 ))
      1.800     0.400     0.400 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.97765E-02 ppm1      2.353 ppm2      2.760 CV     1
 ASSI { 1920}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.39920E-02 ppm1      2.770 ppm2      4.483 CV     1
 OR { 1920}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 1921}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.000     1.000 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.27319E-02 ppm1      3.004 ppm2      4.812 CV     1
 ASSI { 1923}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.800     1.000     1.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.28318E-02 ppm1      3.877 ppm2      4.402 CV     1
 ASSI { 1924}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.600     1.600 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.86180E-03 ppm1      4.198 ppm2      7.817 CV     1
 ASSI { 1928}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.35507E-02 ppm1      2.244 ppm2      8.249 CV     1
 ASSI { 1929}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     3.300     2.700 peak   1929 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      2.023 ppm2      8.145 CV     1
 ASSI { 1930}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.100     1.100 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.18679E-02 ppm1      1.383 ppm2      8.849 CV     1
 ASSI { 1942}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.000     1.100     1.100 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.17900E-02 ppm1      1.958 ppm2      4.228 CV     1
 ASSI { 1946}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HE  ))
      3.000     1.200     1.200 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.16218E-02 ppm1      3.431 ppm2      7.870 CV     1
 ASSI { 1947}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.100     1.200     1.200 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.14778E-02 ppm1      3.344 ppm2      7.870 CV     1
 ASSI { 1949}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HE  ))
      2.900     1.100     1.100 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.20344E-02 ppm1      3.295 ppm2      7.527 CV     1
 ASSI { 1950}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HE  ))
      2.800     1.000     1.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.24926E-02 ppm1      3.265 ppm2      7.397 CV     1
 OR { 1950}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI { 1951}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HE  ))
      2.700     0.900     0.900 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.32853E-02 ppm1      3.222 ppm2      7.321 CV     1
 ASSI { 1952}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HE  ))
      2.600     0.900     0.900 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.35378E-02 ppm1      3.187 ppm2      7.320 CV     1
 ASSI { 1954}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.200     3.200     2.800 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.19553E-02 ppm1      0.986 ppm2      3.455 CV     1
 ASSI { 1956}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      2.500     0.800     0.800 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.43538E-02 ppm1      4.400 ppm2      1.113 CV     1
 ASSI { 1959}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.41144E-02 ppm1      4.590 ppm2      4.908 CV     1
 ASSI { 1962}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
      3.000     1.100     1.100 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.21171E-02 ppm1      2.032 ppm2      3.201 CV     1
 OR { 1962}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
 OR { 1962}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
 OR { 1962}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 1967}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      3.500     1.500     1.500 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.17709E-02 ppm1      0.988 ppm2      3.565 CV     1
 ASSI { 1968}
   (( segid "    " and resid 74   and name HD2%))
   (( segid "    " and resid 74   and name HB1  ))
      2.900     1.100     1.100 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      1.009 ppm2      2.403 CV     1
 OR { 1968}
   (( segid "    " and resid 74   and name HD1% ))
   (  segid "    " and resid 74   and name HB1)
 ASSI { 1970}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      3.500     1.500     1.500 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.17934E-02 ppm1      0.972 ppm2      8.476 CV     1
 ASSI { 1973}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG1 ))
      2.600     0.800     0.800 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.33815E-02 ppm1      2.190 ppm2      2.595 CV     1
 ASSI { 1974}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG1 ))
      2.400     0.700     0.700 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.75027E-02 ppm1      2.214 ppm2      2.501 CV     1
 OR { 1974}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI { 1975}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG1 ))
      2.800     0.900     0.900 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.38221E-02 ppm1      2.328 ppm2      2.595 CV     1
 ASSI { 1977}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.28920E-02 ppm1      2.239 ppm2      4.471 CV     1
 ASSI { 1981}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.900     0.900 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.31566E-02 ppm1      1.604 ppm2      4.358 CV     1
 ASSI { 1985}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.800     0.800 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.35666E-02 ppm1      1.567 ppm2      3.881 CV     1
 ASSI { 1987}
   (( segid "    " and resid 72   and name HG1))
   (( segid "    " and resid 72   and name HD2 ))
      3.000     3.000     3.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.17351E-02 ppm1      1.526 ppm2      3.028 CV     1
 ASSI { 1988}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HB1 ))
      1.700     0.400     0.500 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.13169E-01 ppm1      1.557 ppm2      2.001 CV     1
 ASSI { 1989}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      1.800     0.400     0.400 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.86333E-02 ppm1      1.567 ppm2      2.155 CV     1
 ASSI { 1991}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HB1 ))
      1.800     0.400     0.400 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.76139E-02 ppm1      1.662 ppm2      2.403 CV     1
 ASSI { 1995}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      1.800     0.400     0.400 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.10976E-01 ppm1      1.783 ppm2      1.415 CV     1
 ASSI { 1997}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD1%)
      2.600     0.800     0.800 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.33519E-02 ppm1      1.429 ppm2      0.728 CV     1
 ASSI { 2000}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.500     1.500 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.36789E-02 ppm1      1.058 ppm2      4.246 CV     1
 ASSI { 2001}
   (( segid "    " and resid 82   and name HD2%  ))
   (  segid "    " and resid 82   and name HA )
      2.700     0.900     0.900 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.11067E-01 ppm1      0.983 ppm2      4.225 CV     1
 ASSI { 2004}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
      2.700     2.700     3.300 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.36770E-02 ppm1      1.007 ppm2      4.246 CV     1
 ASSI { 2005}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
      2.300     0.700     0.700 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.64192E-02 ppm1      1.011 ppm2      4.271 CV     1
 OR { 2005}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 2007}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HD1 ))
      2.600     0.900     0.900 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.24777E-02 ppm1      1.715 ppm2      3.419 CV     1
 ASSI { 2008}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.500     0.800     0.800 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.33601E-02 ppm1      1.683 ppm2      3.350 CV     1
 ASSI { 2009}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD1 ))
      3.700     1.700     1.700 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.11592E-02 ppm1      1.589 ppm2      3.069 CV     1
 ASSI { 2010}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2))
      2.900     1.100     1.100 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.18108E-02 ppm1      1.594 ppm2      3.020 CV     1
 ASSI { 2016}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB1 ))
      2.500     0.800     0.800 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.35976E-02 ppm1      0.982 ppm2      2.000 CV     1
 ASSI { 2023}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HG12))
      1.700     0.400     0.500 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.13659E-01 ppm1      1.493 ppm2      1.129 CV     1
 ASSI { 2025}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.27425E-02 ppm1      1.581 ppm2      1.257 CV     1
 ASSI { 2033}
   (( segid "    " and resid 61   and name HD2  ))
   (( segid "    " and resid 61   and name HB2  ))
      3.800     2.100     1.900 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.45249E-03 ppm1      7.766 ppm2      0.791 CV     1
 ASSI { 2034}
   (( segid "    " and resid 61   and name HD2  ))
   (( segid "    " and resid 60   and name HB  ))
      3.800     2.100     1.900 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.45249E-03 ppm1      7.766 ppm2      0.791 CV     1
 ASSI { 2036}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 24   and name HG2%)
      3.800     1.800     1.800 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.96856E-03 ppm1      4.065 ppm2      1.248 CV     1
 ASSI { 2037}
   (( segid "    " and resid 57   and name HA1 ))
   (  segid "    " and resid 58   and name HG1%)
      4.100     2.100     1.900 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.10698E-02 ppm1      4.092 ppm2      0.957 CV     1
 OR { 2037}
   (( segid "    " and resid 57   and name HA2 ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2041}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      3.100     1.200     1.200 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.17004E-02 ppm1      2.453 ppm2      1.129 CV     1
 ASSI { 2044}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.700     0.900     0.900 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.43959E-02 ppm1      2.761 ppm2      2.477 CV     1
 ASSI { 2045}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HG1 ))
      1.700     0.300     0.500 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.19099E-01 ppm1      2.676 ppm2      2.776 CV     1
 ASSI { 2047}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.400     0.700     0.700 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.41366E-02 ppm1      1.932 ppm2      3.337 CV     1
 ASSI { 2051}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      2.700     0.900     0.900 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.21585E-02 ppm1      2.193 ppm2      4.303 CV     1
 ASSI { 2058}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG2 ))
      3.000     1.100     1.100 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.29821E-02 ppm1      1.581 ppm2      0.985 CV     1
 ASSI { 2063}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.47101E-02 ppm1      1.841 ppm2      4.253 CV     1
 ASSI { 2067}
   (( segid "    " and resid 81   and name HB% ))
   (( segid "    " and resid 58   and name HB ))
      4.200     1.800     1.800 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.10539E-01 ppm1      4.454 ppm2      2.132 CV     1
 ASSI { 2076}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.200     1.200 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.17374E-02 ppm1      1.822 ppm2      4.599 CV     1
 ASSI { 2087}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HA  ))
      3.200     1.300     1.300 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.15619E-02 ppm1      1.730 ppm2      4.254 CV     1
 ASSI { 2090}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.26204E-02 ppm1      2.213 ppm2      8.458 CV     1
 ASSI { 2092}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.700     0.900     0.900 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.26419E-02 ppm1      1.194 ppm2      2.038 CV     1
 OR { 2092}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2098}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      2.900     1.100     1.100 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.52031E-02 ppm1      0.801 ppm2      1.244 CV     1
 ASSI { 2099}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HG  ))
      2.700     0.900     0.900 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.20858E-02 ppm1      0.791 ppm2      1.219 CV     1
 ASSI { 2115}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.500     0.800     0.800 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.55644E-02 ppm1      1.721 ppm2      2.049 CV     1
 ASSI { 2117}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HG2 ))
      1.700     0.400     0.500 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.19674E-01 ppm1      2.621 ppm2      2.393 CV     1
 ASSI { 2118}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.500     0.800     0.800 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.47942E-02 ppm1      2.623 ppm2      2.253 CV     1
 ASSI { 2124}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     3.500     2.500 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.13455E-02 ppm1      3.000 ppm2      7.705 CV     1
 ASSI { 2126}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.500     1.500 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.12470E-02 ppm1      3.305 ppm2      8.056 CV     1
 ASSI { 2129}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.57909E-02 ppm1      2.836 ppm2      8.487 CV     1
 OR { 2129}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 2134}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.600     1.600     1.600 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.13699E-02 ppm1      2.788 ppm2      8.542 CV     1
 OR { 2134}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 2137}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      2.600     0.800     0.800 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.69187E-02 ppm1      1.566 ppm2      7.839 CV     1
 ASSI { 2139}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.18591E-02 ppm1      1.043 ppm2      7.523 CV     1
 ASSI { 2158}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      2.400     0.700     0.700 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.45693E-02 ppm1      1.635 ppm2      0.789 CV     1
 ASSI { 2176}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 48   and name HG2%)
      2.400     0.700     0.700 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.56493E-02 ppm1      1.660 ppm2      1.118 CV     1
 ASSI { 2181}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
      2.700     0.900     0.900 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.24435E-02 ppm1      2.212 ppm2      1.015 CV     1
 ASSI { 2187}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      3.700     1.700     1.700 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.12284E-02 ppm1      2.769 ppm2      0.884 CV     1
 ASSI { 2190}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.600     0.800     0.800 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.36567E-02 ppm1      3.221 ppm2      1.412 CV     1
 ASSI { 2191}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.700     0.900     0.900 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.38679E-02 ppm1      3.188 ppm2      1.411 CV     1
 ASSI { 2192}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.700     0.900     0.900 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.28476E-02 ppm1      3.186 ppm2      2.046 CV     1
 OR { 2192}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2193}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.800     1.000     1.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.53425E-02 ppm1      3.429 ppm2      1.947 CV     1
 ASSI { 2194}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.19196E-02 ppm1      3.431 ppm2      1.840 CV     1
 ASSI { 2196}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.500     0.800     0.800 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.33311E-02 ppm1      3.429 ppm2      1.633 CV     1
 ASSI { 2197}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.900     1.000     1.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.30489E-02 ppm1      3.264 ppm2      1.848 CV     1
 OR { 2197}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2198}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.800     1.000     1.000 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.34639E-02 ppm1      3.428 ppm2      2.188 CV     1
 ASSI { 2201}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.500     1.500     1.500 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.21093E-02 ppm1      4.193 ppm2      2.592 CV     1
 ASSI { 2202}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      2.700     0.900     0.900 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      4.195 ppm2      2.454 CV     1
 ASSI { 2203}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG1 ))
      2.500     0.800     0.800 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.53181E-02 ppm1      4.236 ppm2      2.566 CV     1
 ASSI { 2204}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.500     0.800     0.800 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.40037E-02 ppm1      4.236 ppm2      2.457 CV     1
 ASSI { 2212}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.600     0.800     0.800 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.34968E-02 ppm1      4.700 ppm2      3.456 CV     1
 ASSI { 2213}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HD1 ))
      2.000     0.500     0.500 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.76670E-02 ppm1      4.594 ppm2      4.010 CV     1
 ASSI { 2223}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.300     0.600     0.600 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.98973E-02 ppm1      4.647 ppm2      8.481 CV     1
 ASSI { 2227}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.900     1.900     1.900 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.89143E-03 ppm1      0.338 ppm2      3.533 CV     1
 ASSI { 2233}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB1 ))
      2.400     0.700     0.700 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.56183E-02 ppm1      0.801 ppm2      1.450 CV     1
 ASSI { 2242}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
      2.400     0.700     0.700 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.64616E-02 ppm1      0.884 ppm2      1.704 CV     1
 ASSI { 2269}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      4.000     2.000     2.000 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.14983E-02 ppm1      2.212 ppm2      3.927 CV     1
 ASSI { 2277}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      2.500     0.800     0.800 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.30657E-02 ppm1      3.081 ppm2      7.169 CV     1
 ASSI { 2278}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.800     1.800     1.800 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.17510E-02 ppm1      3.458 ppm2      8.065 CV     1
 ASSI { 2281}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      3.700     1.700     1.700 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.13084E-02 ppm1      2.826 ppm2      7.172 CV     1
 ASSI { 2282}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.400     1.400 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.17009E-02 ppm1      1.412 ppm2      7.214 CV     1
 ASSI { 2285}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      3.400     1.500     1.500 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.10330E-02 ppm1      0.229 ppm2      2.940 CV     1
 OR { 2285}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 2286}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.500     1.600     1.600 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.13897E-02 ppm1      0.227 ppm2      2.823 CV     1
 ASSI { 2287}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H5A ))
      4.000     2.000     2.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.80535E-03 ppm1      0.342 ppm2      2.903 CV     1
 OR { 2287}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H5B ))
 ASSI { 2289}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 48   and name HB  ))
      3.500     1.500     1.500 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.78357E-03 ppm1      0.342 ppm2      4.386 CV     1
 ASSI { 2291}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      3.400     1.500     1.500 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.17648E-02 ppm1      0.839 ppm2      4.594 CV     1
 ASSI { 2294}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.200     0.600     0.600 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.51768E-02 ppm1      1.348 ppm2      1.577 CV     1
 ASSI { 2298}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.900     1.000     1.000 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.20118E-02 ppm1      1.716 ppm2      2.178 CV     1
 ASSI { 2315}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.400     0.700     0.700 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.63315E-02 ppm1      1.947 ppm2      2.185 CV     1
 ASSI { 2316}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      1.800     0.400     0.400 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.68971E-02 ppm1      2.023 ppm2      2.251 CV     1
 OR { 2316}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI { 2318}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.000     1.000 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.20522E-02 ppm1      1.554 ppm2      0.610 CV     1
 OR { 2318}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2327}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HB2 ))
      1.700     0.300     0.500 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.69423E-02 ppm1      2.257 ppm2      2.024 CV     1
 ASSI { 2323}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.800     1.000     1.000 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.24854E-02 ppm1      2.034 ppm2      1.407 CV     1
 OR { 2323}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2326}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
      3.500     1.500     1.500 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.25388E-02 ppm1      2.316 ppm2      1.045 CV     1
 ASSI { 2338}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.200     1.300     1.300 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.11748E-02 ppm1      4.262 ppm2      2.754 CV     1
 ASSI { 2340}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.800     1.900     1.900 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.21806E-02 ppm1      4.261 ppm2      2.472 CV     1
 ASSI { 2343}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG11))
      2.800     1.000     1.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.48194E-02 ppm1      4.591 ppm2      1.519 CV     1
 ASSI { 2348}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      2.500     0.800     0.800 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.49966E-02 ppm1      4.592 ppm2      0.988 CV     1
 ASSI { 2350}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.700     1.700     1.700 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.21240E-02 ppm1      4.341 ppm2      1.056 CV     1
 ASSI { 2357}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.400     0.700     0.700 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.96796E-02 ppm1      4.320 ppm2      4.031 CV     1
 ASSI { 2358}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.42535E-02 ppm1      4.553 ppm2      4.131 CV     1
 ASSI { 2361}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      4.400     2.400     1.600 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.71872E-03 ppm1      1.114 ppm2      8.358 CV     1
 ASSI { 2362}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HN  ))
      3.500     1.500     1.500 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.20043E-02 ppm1      0.946 ppm2      8.178 CV     1
 ASSI { 2363}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      2.400     0.700     0.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.48301E-02 ppm1      0.987 ppm2      7.448 CV     1
 ASSI { 2364}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      3.500     1.500     1.500 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.30281E-02 ppm1      0.948 ppm2      7.444 CV     1
 ASSI { 2375}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HB1 ))
      2.700     0.900     0.900 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.78886E-02 ppm1      2.542 ppm2      2.274 CV     1
 ASSI { 2379}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      4.100     2.100     1.900 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.14149E-02 ppm1      4.204 ppm2      1.125 CV     1
 ASSI { 2382}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.500     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.15581E-02 ppm1      4.203 ppm2      0.869 CV     1
 ASSI { 2383}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      3.500     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.15581E-02 ppm1      4.203 ppm2      0.869 CV     1
 OR { 2383}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2384}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.400     1.400     1.400 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.93736E-03 ppm1      3.918 ppm2      1.118 CV     1
 ASSI { 2385}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG2 ))
      3.000     1.100     1.100 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.17019E-02 ppm1      4.045 ppm2      1.393 CV     1
 ASSI { 2386}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
      3.300     1.300     1.300 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.14822E-02 ppm1      4.320 ppm2      3.197 CV     1
 ASSI { 2388}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HA  ))
      3.800     1.800     1.800 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.72274E-03 ppm1      4.020 ppm2      4.461 CV     1
 OR { 2388}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 2393}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG12))
      2.600     0.800     0.800 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.40136E-02 ppm1      1.048 ppm2      1.510 CV     1
 ASSI { 2394}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.20613E-02 ppm1      1.373 ppm2      4.541 CV     1
 ASSI { 2400}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.600     0.800     0.800 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.27751E-02 ppm1      3.224 ppm2      1.198 CV     1
 ASSI { 2401}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.700     0.900     0.900 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.29953E-02 ppm1      3.190 ppm2      1.200 CV     1
 ASSI { 2405}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
      2.900     1.000     1.000 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.11507E-02 ppm1      3.079 ppm2      1.879 CV     1
 ASSI { 2408}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.19143E-02 ppm1      3.303 ppm2      1.052 CV     1
 ASSI { 2410}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
      3.300     1.300     1.300 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.43253E-02 ppm1      4.012 ppm2      0.986 CV     1
 ASSI { 2435}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.600     0.800     0.800 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.62012E-02 ppm1      2.839 ppm2      4.725 CV     1
 OR { 2435}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 2436}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      3.800     1.800     1.800 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.82723E-03 ppm1      2.807 ppm2      4.696 CV     1
 ASSI { 2440}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.81526E-02 ppm1      4.359 ppm2      4.507 CV     1
 ASSI { 2443}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     0.900     0.900 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.32590E-02 ppm1      4.357 ppm2      9.627 CV     1
 ASSI { 2450}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG11))
      2.300     0.600     0.600 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.84114E-02 ppm1      0.838 ppm2      1.485 CV     1
 ASSI { 2455}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      1.700     0.400     0.500 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.93909E-02 ppm1      1.044 ppm2      1.633 CV     1
 ASSI { 2466}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      4.500     2.500     1.500 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.10669E-02 ppm1      4.421 ppm2      2.979 CV     1
 ASSI { 2472}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.500     0.800     0.800 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.51861E-02 ppm1      4.194 ppm2      2.327 CV     1
 ASSI { 2473}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.000     1.100     1.100 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.23839E-02 ppm1      4.206 ppm2      2.309 CV     1
 ASSI { 2478}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.800     1.800     1.800 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.10993E-02 ppm1      4.261 ppm2      8.886 CV     1
 ASSI { 2480}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.16181E-02 ppm1      4.201 ppm2      8.402 CV     1
 ASSI { 2482}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.500     1.500     1.500 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.74263E-03 ppm1      4.353 ppm2      7.989 CV     1
 ASSI { 2490}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.13649E-02 ppm1      3.083 ppm2      4.904 CV     1
 ASSI { 2491}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD1%)
      3.000     1.900     1.900 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.88461E-03 ppm1      3.082 ppm2      0.885 CV     1
 ASSI { 2492}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG12))
      3.200     1.300     1.300 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.16178E-02 ppm1      1.821 ppm2      1.126 CV     1
 ASSI { 2494}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 74   and name HG  ))
      2.900     1.000     1.000 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.18989E-02 ppm1      1.732 ppm2      0.989 CV     1
 OR { 2494}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD2%)
 OR { 2494}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2496}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 78   and name HG2%)
      2.900     1.100     1.100 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.33801E-02 ppm1      1.729 ppm2      0.864 CV     1
 ASSI { 2504}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.13776E-02 ppm1      0.786 ppm2      2.218 CV     1
 ASSI { 2505}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      2.600     2.600     3.400 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.90488E-03 ppm1      0.790 ppm2      2.362 CV     1
 ASSI { 2507}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.700     1.700 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.13016E-02 ppm1      0.840 ppm2      3.922 CV     1
 ASSI { 2509}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.30917E-02 ppm1      4.096 ppm2      8.174 CV     1
 ASSI { 2510}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
      4.300     2.300     1.700 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.10504E-02 ppm1      4.088 ppm2      8.064 CV     1
 OR { 2510}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2512}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.800     1.800     1.800 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.11999E-02 ppm1      3.324 ppm2      7.314 CV     1
 ASSI { 2513}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      3.300     1.300     1.300 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.86678E-03 ppm1      3.878 ppm2      6.981 CV     1
 ASSI { 2518}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HG2%)
      2.700     0.900     0.900 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.42743E-02 ppm1      1.504 ppm2      1.023 CV     1
 ASSI { 2520}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.500     0.800     0.800 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.63921E-02 ppm1      2.192 ppm2      2.455 CV     1
 ASSI { 2523}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.500     1.500     1.500 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.15129E-02 ppm1      3.027 ppm2      1.859 CV     1
 ASSI { 2524}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
      3.800     1.800     1.800 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.78752E-03 ppm1      1.458 ppm2      2.771 CV     1
 ASSI { 2526}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name H4A ))
      2.600     1.200     1.200 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.90398E-03 ppm1      1.338 ppm2      2.781 CV     1
 OR { 2526}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name H4B ))
 ASSI { 2530}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.500     1.500     1.500 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.15129E-02 ppm1      3.027 ppm2      1.859 CV     1
 ASSI { 2532}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.11071E-02 ppm1      4.021 ppm2      7.654 CV     1
 ASSI { 2537}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      5.400     3.600     0.600 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.40103E-03 ppm1      1.050 ppm2      7.608 CV     1
 ASSI { 2539}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.12155E-02 ppm1      1.564 ppm2      3.611 CV     1
 ASSI { 2544}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.700     1.700     1.700 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.13745E-02 ppm1      3.488 ppm2      1.856 CV     1
 ASSI { 2571}
   (( segid "    " and resid 85   and name HB% ))
   (( segid "    " and resid 85   and name HA  ))
      2.800     0.900     0.900 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.10539E-01 ppm1      1.565 ppm2      4.470 CV     1
 ASSI { 2576}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      1.800     0.400     0.400 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.10539E-01 ppm1      1.431 ppm2      1.977 CV     1
 ASSI { 2577}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HB1 ))
      1.700     0.400     0.500 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.11138E-01 ppm1      1.447 ppm2      2.212 CV     1
 ASSI { 2579}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.29575E-02 ppm1      2.264 ppm2      7.803 CV     1
 ASSI { 2583}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.900     1.000     1.000 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.24613E-02 ppm1      1.558 ppm2      8.274 CV     1
 ASSI { 2584}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      3.300     1.400     1.400 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.27545E-02 ppm1      1.603 ppm2      8.153 CV     1
 ASSI { 2603}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.22224E-02 ppm1      1.435 ppm2      8.453 CV     1
 ASSI { 2606}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.400     0.700     0.700 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.46849E-02 ppm1      4.358 ppm2      1.450 CV     1
 ASSI { 2607}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.000     2.000     2.000 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.13893E-02 ppm1      4.454 ppm2      2.132 CV     1
 ASSI { 2609}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD2%)
      2.400     0.700     0.700 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.50588E-02 ppm1      1.771 ppm2      1.050 CV     1
 ASSI { 2626}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.400     2.400     3.600 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.18770E-02 ppm1      3.285 ppm2      2.179 CV     1
 ASSI { 2630}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.000     1.100     1.100 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.34340E-02 ppm1      4.590 ppm2      4.049 CV     1
 ASSI { 2662}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.32870E-02 ppm1      1.436 ppm2      0.883 CV     1
 ASSI { 2663}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.400     1.400 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.95862E-03 ppm1      4.454 ppm2      7.754 CV     1
 ASSI { 2670}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
      3.200     1.300     1.300 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.21343E-02 ppm1      7.218 ppm2      1.384 CV     1
 ASSI { 2674}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.000     1.100     1.100 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.25114E-02 ppm1      1.523 ppm2      6.744 CV     1
 ASSI { 2676}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      3.500     1.500     1.500 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.13698E-02 ppm1      1.521 ppm2      6.976 CV     1
 ASSI { 2686}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.300     1.400     1.400 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.15503E-02 ppm1      4.359 ppm2      0.801 CV     1
 ASSI { 2688}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.24968E-02 ppm1      2.031 ppm2      4.609 CV     1
 OR { 2688}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 2690}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG11))
      2.500     0.800     0.800 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.29246E-02 ppm1      1.931 ppm2      1.730 CV     1
 ASSI { 2696}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.65589E-02 ppm1      4.747 ppm2      2.860 CV     1
 ASSI { 2698}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.500     0.800     0.800 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.58774E-02 ppm1      4.745 ppm2      3.282 CV     1
 ASSI { 2702}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
      3.300     1.400     1.400 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.25533E-02 ppm1      4.224 ppm2      6.965 CV     1
 ASSI { 2703}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 35   and name HZ  ))
      2.300     0.700     0.700 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.48336E-02 ppm1      4.224 ppm2      6.885 CV     1
 ASSI { 2707}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.52910E-02 ppm1      2.392 ppm2      2.132 CV     1
 ASSI { 2714}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
      3.400     1.400     1.400 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 ASSI { 2717}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H30%)
      3.000     3.000     3.000 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.38558E-03 ppm1      2.680 ppm2      0.969 CV     1
 ASSI { 2718}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
      2.800     2.800     3.200 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.51278E-03 ppm1      2.676 ppm2      1.063 CV     1
 ASSI { 2719}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
      2.800     2.800     3.200 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.51278E-03 ppm1      2.676 ppm2      1.063 CV     1
 ASSI { 2721}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 58   and name HG2%)
      4.900     3.000     1.100 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.69396E-03 ppm1      2.760 ppm2      0.945 CV     1
 ASSI { 2722}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 60   and name HD1%)
      4.000     2.000     2.000 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.80094E-03 ppm1      2.756 ppm2      0.826 CV     1
 ASSI { 2723}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 52   and name HB2 )
      4.400     2.500     1.600 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.58725E-03 ppm1      2.756 ppm2      1.462 CV     1
 ASSI { 2724}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
      4.600     2.600     1.400 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.35080E-03 ppm1      2.780 ppm2      1.463 CV     1
 ASSI { 2729}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
      4.800     2.800     1.200 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.29213E-03 ppm1      2.676 ppm2      1.444 CV     1
 ASSI { 2734}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      3.700     1.700     1.700 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.78867E-03 ppm1      4.372 ppm2      2.393 CV     1
 ASSI { 2739}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HD1 ))
      4.000     2.000     2.000 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.90209E-03 ppm1      4.225 ppm2      3.432 CV     1
 ASSI { 2745}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      3.400     1.400     1.400 peak  2745 spectrum    1 weight  0.10000E+01 volume  0.70083E-03 ppm1      4.229 ppm2      3.293 CV     1
 ASSI { 2748}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      4.400     2.500     1.600 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.55761E-03 ppm1      3.608 ppm2      1.217 CV     1
 ASSI { 2753}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      3.900     1.900     1.900 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.53524E-03 ppm1      3.608 ppm2      3.326 CV     1
 ASSI { 2759}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      3.600     1.600     1.600 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.10265E-02 ppm1      3.549 ppm2      7.223 CV     1
 ASSI { 2762}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.78571E-03 ppm1      4.117 ppm2      7.943 CV     1
 ASSI { 2764}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.500     1.500 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.10588E-02 ppm1      4.028 ppm2      8.464 CV     1
 ASSI { 2766}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.53255E-03 ppm1      4.031 ppm2      8.254 CV     1
 ASSI { 2767}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak  2767 spectrum    1 weight  0.10000E+01 volume  0.61042E-03 ppm1      3.878 ppm2      8.879 CV     1
 ASSI { 2769}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.300     2.300     1.700 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.63200E-03 ppm1      2.252 ppm2      9.021 CV     1
 ASSI { 2771}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      3.600     1.600     1.600 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.11012E-02 ppm1      1.635 ppm2      8.478 CV     1
 ASSI { 2774}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.400     2.500     1.600 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.81800E-03 ppm1      2.352 ppm2      8.071 CV     1
 ASSI { 2775}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.600     2.600     1.400 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.59297E-03 ppm1      2.676 ppm2      8.449 CV     1
 ASSI { 2776}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      4.700     2.800     1.300 peak  2776 spectrum    1 weight  0.10000E+01 volume  0.59861E-03 ppm1      2.776 ppm2      8.445 CV     1
 ASSI { 2777}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.300     1.300 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.79905E-03 ppm1      2.076 ppm2      8.541 CV     1
 ASSI { 2781}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.39922E-03 ppm1      2.617 ppm2      7.459 CV     1
 ASSI { 2783}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.800     2.900     1.200 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.51409E-03 ppm1      2.517 ppm2      7.440 CV     1
 ASSI { 2785}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.600     2.600     1.400 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.90211E-03 ppm1      1.583 ppm2      7.431 CV     1
 ASSI { 2786}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HN  ))
      4.000     2.000     2.000 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.51396E-03 ppm1      1.644 ppm2      8.668 CV     1
 ASSI { 2789}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
      4.300     2.300     1.700 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.54778E-03 ppm1      1.454 ppm2      8.458 CV     1
 ASSI { 2791}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      6.000     5.400     0.000 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.11417E-03 ppm1      1.404 ppm2      8.249 CV     1
 ASSI { 2792}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      4.600     2.700     1.400 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.59629E-03 ppm1      1.405 ppm2      7.895 CV     1
 ASSI { 2794}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HN  ))
      4.500     2.500     1.500 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.71006E-03 ppm1      1.338 ppm2      7.446 CV     1
 ASSI { 2797}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name H7A ))
      3.700     1.700     1.700 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.56312E-03 ppm1      1.338 ppm2      7.252 CV     1
 OR { 2797}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name H11A ))
 ASSI { 2798}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 56   and name HE% )
      4.300     2.400     1.700 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.61469E-03 ppm1      1.659 ppm2      6.813 CV     1
 ASSI { 2799}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      3.300     1.400     1.400 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.78730E-03 ppm1      2.024 ppm2      7.311 CV     1
 ASSI { 2801}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      3.100     1.200     1.200 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      2.042 ppm2      7.214 CV     1
 OR { 2801}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 2803}
   (( segid "    " and resid 74   and name HD1% ))
   (  segid "    " and resid 74   and name HN )
      3.100     1.200     1.200 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      2.042 ppm2      7.214 CV     1
 OR { 2803}
   (( segid "    " and resid 74   and name HD2% ))
   (  segid "    " and resid 74   and name HN )
 ASSI { 2810}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      4.200     2.200     1.800 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.58432E-03 ppm1      1.112 ppm2      8.160 CV     1
 ASSI { 2813}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      3.600     3.600     2.400 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.92290E-03 ppm1      1.142 ppm2      7.170 CV     1
 ASSI { 2816}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      3.300     1.400     1.400 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.70116E-03 ppm1      1.874 ppm2      7.428 CV     1
 ASSI { 2826}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      4.100     2.100     1.900 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.81450E-03 ppm1      1.051 ppm2      6.981 CV     1
 ASSI { 2832}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      3.700     1.700     1.700 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.67944E-03 ppm1      0.227 ppm2      3.547 CV     1
 ASSI { 2839}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      3.500     1.500     1.500 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.67980E-03 ppm1      0.929 ppm2      4.233 CV     1
 ASSI { 2844}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak  2844 spectrum    1 weight  0.10000E+01 volume  0.68862E-03 ppm1      1.382 ppm2      4.617 CV     1
 ASSI { 2854}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
      3.500     1.600     1.600 peak  2854 spectrum    1 weight  0.10000E+01 volume  0.59744E-03 ppm1      0.227 ppm2      3.079 CV     1
 ASSI { 2857}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak  2857 spectrum    1 weight  0.10000E+01 volume  0.55797E-03 ppm1      1.119 ppm2      3.556 CV     1
 ASSI { 2859}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      3.700     1.700     1.700 peak  2859 spectrum    1 weight  0.10000E+01 volume  0.45145E-03 ppm1      0.869 ppm2      3.455 CV     1
 ASSI { 2862}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.900     1.900     1.900 peak  2862 spectrum    1 weight  0.10000E+01 volume  0.58415E-03 ppm1      1.849 ppm2      1.137 CV     1
 ASSI { 2871}
   (( segid "    " and resid 72   and name HG2  ))
   (  segid "    " and resid 72   and name HN)
      3.100     1.500     1.500 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14556E-01 ppm1      1.687 ppm2      0.865 CV     1
 ASSI { 2872}
   (( segid "    " and resid 72   and name HG1  ))
   (  segid "    " and resid 72   and name HN)
      3.100     1.500     1.500 peak   643 spectrum    1 weight  0.10000E+01 volume  0.14556E-01 ppm1      1.687 ppm2      0.865 CV     1
 ASSI { 2875}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      4.300     2.400     1.700 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.78922E-03 ppm1      1.689 ppm2      8.715 CV     1
 ASSI { 2876}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
      4.200     2.200     1.800 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.12322E-02 ppm1      1.913 ppm2      8.013 CV     1
 ASSI { 2877}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HE  ))
      3.400     1.500     1.500 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.82499E-03 ppm1      1.714 ppm2      7.396 CV     1
 OR { 2877}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI { 2883}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
      4.100     2.100     1.900 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.67147E-03 ppm1      0.227 ppm2      6.874 CV     1
 ASSI { 2885}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.100     2.100     1.900 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.67147E-03 ppm1      0.227 ppm2      6.874 CV     1
 ASSI { 2888}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HE  ))
      3.300     1.400     1.400 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.14750E-02 ppm1      1.196 ppm2      7.320 CV     1
 ASSI { 2889}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.400     1.400 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.94246E-03 ppm1      1.629 ppm2      4.736 CV     1
 ASSI { 2890}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.500     1.600     1.600 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.97875E-03 ppm1      1.937 ppm2      4.734 CV     1
 ASSI { 2891}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      3.400     1.500     1.500 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.10071E-02 ppm1      2.048 ppm2      4.313 CV     1
 ASSI { 2892}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.300     1.300     1.300 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.63061E-03 ppm1      2.050 ppm2      3.930 CV     1
 ASSI { 2897}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HB  ))
      4.700     2.800     1.300 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.52910E-03 ppm1      1.458 ppm2      4.411 CV     1
 ASSI { 2901}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      4.100     2.100     1.900 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.75791E-03 ppm1      0.801 ppm2      3.549 CV     1
 ASSI { 2904}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.800     1.800     1.800 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.80072E-03 ppm1      0.602 ppm2      4.210 CV     1
 ASSI { 2924}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 58   and name HG1%)
      3.700     1.700     1.700 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.78201E-03 ppm1      2.474 ppm2      0.927 CV     1
 ASSI { 2933}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
      4.000     2.000     2.000 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.62294E-03 ppm1      0.788 ppm2      9.050 CV     1
 ASSI { 2936}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      4.400     2.500     1.600 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.56860E-03 ppm1      0.602 ppm2      9.052 CV     1
 ASSI { 2937}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.200     2.200     1.800 peak  2937 spectrum    1 weight  0.10000E+01 volume  0.60267E-03 ppm1      1.040 ppm2      8.705 CV     1
 ASSI { 2938}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      4.500     2.600     1.500 peak  2938 spectrum    1 weight  0.10000E+01 volume  0.49054E-03 ppm1      0.600 ppm2      8.867 CV     1
 ASSI { 2939}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      5.100     2.100     0.900 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.67147E-03 ppm1      0.227 ppm2      6.874 CV     1
 ASSI { 2943}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      5.200     3.300     0.800 peak  2943 spectrum    1 weight  0.10000E+01 volume  0.42930E-03 ppm1      0.225 ppm2      8.251 CV     1
 ASSI { 2948}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      4.500     2.600     1.500 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.43439E-03 ppm1      0.995 ppm2      3.901 CV     1
 ASSI { 2950}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.600     0.800     0.800 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.14221E-02 ppm1      2.020 ppm2      1.385 CV     1
 ASSI { 2951}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
      3.700     1.700     1.700 peak  2951 spectrum    1 weight  0.10000E+01 volume  0.68826E-03 ppm1      0.873 ppm2      2.795 CV     1
 ASSI { 2956}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.500     1.500     1.500 peak  2956 spectrum    1 weight  0.10000E+01 volume  0.11105E-02 ppm1      3.740 ppm2      7.622 CV     1
 ASSI { 2957}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      4.100     2.100     1.900 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.11944E-02 ppm1      3.747 ppm2      8.230 CV     1
 ASSI { 2959}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.300     2.300     1.700 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.74142E-03 ppm1      4.220 ppm2      7.197 CV     1
 ASSI { 2963}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.200     1.300     1.300 peak  2963 spectrum    1 weight  0.10000E+01 volume  0.11547E-02 ppm1      3.547 ppm2      1.887 CV     1
 ASSI { 2974}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      4.100     2.100     1.900 peak  2974 spectrum    1 weight  0.10000E+01 volume  0.76509E-03 ppm1      2.076 ppm2      8.737 CV     1
 ASSI { 2976}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
      5.400     3.600     0.600 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.44669E-03 ppm1      2.120 ppm2      8.733 CV     1
 OR { 2976}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2978}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 35   and name HZ  ))
      4.200     2.200     1.800 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.27915E-03 ppm1      2.203 ppm2      6.891 CV     1
 ASSI { 2979}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HE  ))
      3.200     1.300     1.300 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.98702E-03 ppm1      1.405 ppm2      7.317 CV     1
 ASSI { 2986}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.200     2.200     1.800 peak  2986 spectrum    1 weight  0.10000E+01 volume  0.99619E-03 ppm1      3.886 ppm2      2.075 CV     1
 ASSI { 2990}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.900     1.900     1.900 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.52067E-03 ppm1      3.610 ppm2      2.032 CV     1
 ASSI { 2992}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.400     1.500     1.500 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.96264E-03 ppm1      1.726 ppm2      3.887 CV     1
 ASSI { 2993}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      5.200     3.300     0.800 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.57791E-03 ppm1      1.856 ppm2      0.472 CV     1
 ASSI { 2999}
   (( segid "    " and resid 68   and name HG2% ))
   (  segid "    " and resid 42   and name H5%)
      5.200     3.300     0.800 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.57791E-03 ppm1      1.856 ppm2      0.472 CV     1
 ASSI { 3001}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.400     1.400 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.84586E-03 ppm1      1.837 ppm2      4.731 CV     1
 ASSI { 3005}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HE  ))
      3.700     1.700     1.700 peak  3005 spectrum    1 weight  0.10000E+01 volume  0.54422E-03 ppm1      1.925 ppm2      7.873 CV     1
 ASSI { 3008}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.500     2.500     1.500 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.75824E-03 ppm1      1.689 ppm2      8.015 CV     1
 ASSI { 3010}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      4.500     2.500     1.500 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.43036E-03 ppm1      0.871 ppm2      9.422 CV     1
 ASSI { 3015}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.400     1.400 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.11852E-02 ppm1      1.114 ppm2      8.383 CV     1
 ASSI { 3019}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.74657E-03 ppm1      2.191 ppm2      7.591 CV     1
 ASSI { 3021}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.800     1.800     1.800 peak  3021 spectrum    1 weight  0.10000E+01 volume  0.63948E-03 ppm1      2.154 ppm2      7.602 CV     1
 ASSI { 3024}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.500     1.500     1.500 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.11719E-02 ppm1      1.836 ppm2      3.340 CV     1
 ASSI { 3027}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.500     1.500     1.500 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.15129E-02 ppm1      3.027 ppm2      1.859 CV     1
 ASSI { 3029}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.700     2.800     1.300 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.36874E-03 ppm1      0.644 ppm2      3.452 CV     1
 ASSI { 3037}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      4.100     2.100     1.900 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.52617E-03 ppm1      2.257 ppm2      0.787 CV     1
 ASSI { 3041}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG1%)
      4.800     2.900     1.200 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.50125E-03 ppm1      2.558 ppm2      1.133 CV     1
 ASSI { 3049}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB1 ))
      3.400     1.400     1.400 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.71214E-03 ppm1      0.344 ppm2      1.651 CV     1
 ASSI { 3052}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.500     1.500     1.500 peak  3052 spectrum    1 weight  0.10000E+01 volume  0.97105E-03 ppm1      0.804 ppm2      7.316 CV     1
 ASSI { 3056}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.400     1.500     1.500 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.70294E-03 ppm1      1.859 ppm2      7.843 CV     1
 ASSI { 3057}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.400     1.500     1.500 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.70294E-03 ppm1      1.859 ppm2      7.843 CV     1
 ASSI { 3058}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.700     1.800     1.800 peak  3058 spectrum    1 weight  0.10000E+01 volume  0.39574E-03 ppm1      1.630 ppm2      7.878 CV     1
 ASSI { 3073}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      4.500     2.500     1.500 peak  3073 spectrum    1 weight  0.10000E+01 volume  0.46249E-03 ppm1      0.885 ppm2      7.393 CV     1
 ASSI { 3076}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.600     2.600     1.400 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.62302E-03 ppm1      1.033 ppm2      7.220 CV     1
 ASSI { 3078}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      4.700     2.700     1.300 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.64641E-03 ppm1      1.030 ppm2      7.318 CV     1
 ASSI { 3085}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 13   and name HN  ))
      5.000     3.200     1.000 peak  3085 spectrum    1 weight  0.10000E+01 volume  0.35984E-03 ppm1      1.917 ppm2      7.720 CV     1
 ASSI { 3086}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HN  ))
      4.200     2.200     1.800 peak  3086 spectrum    1 weight  0.10000E+01 volume  0.93471E-03 ppm1      2.543 ppm2      7.757 CV     1
 ASSI { 3099}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
      4.800     2.800     1.200 peak  3099 spectrum    1 weight  0.10000E+01 volume  0.68297E-03 ppm1      3.321 ppm2      4.225 CV     1
 ASSI { 3100}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      5.000     3.100     1.000 peak  3100 spectrum    1 weight  0.10000E+01 volume  0.40670E-03 ppm1      1.582 ppm2      6.809 CV     1
 ASSI { 3107}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      4.300     2.300     1.700 peak  3107 spectrum    1 weight  0.10000E+01 volume  0.64967E-03 ppm1      3.087 ppm2      0.345 CV     1
 ASSI { 3113}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HG12))
      4.500     2.500     1.500 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.53425E-03 ppm1      3.570 ppm2      1.122 CV     1
 ASSI { 3120}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 64   and name HA  ))
      3.200     1.300     1.300 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.12097E-02 ppm1      3.266 ppm2      3.893 CV     1
 OR { 3120}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 3125}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.700     1.700 peak  3125 spectrum    1 weight  0.10000E+01 volume  0.12470E-02 ppm1      3.262 ppm2      4.589 CV     1
 OR { 3125}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 3128}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  3128 spectrum    1 weight  0.10000E+01 volume  0.24931E-02 ppm1      3.068 ppm2      4.813 CV     1
ASSI { 3131}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.200     1.800 peak  3630 spectrum    1 weight  0.10000E+01 volume  0.50223E-03 ppm1      2.359 ppm2      7.216 CV     1
 ASSI { 3135}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak  3135 spectrum    1 weight  0.10000E+01 volume  0.10993E-02 ppm1      3.083 ppm2      9.630 CV     1
 ASSI { 3140}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.300     1.300 peak  3140 spectrum    1 weight  0.10000E+01 volume  0.61981E-03 ppm1      2.921 ppm2      7.198 CV     1
 ASSI { 3142}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      4.200     2.200     1.800 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.80967E-03 ppm1      2.313 ppm2      7.329 CV     1
 ASSI { 3144}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.75377E-03 ppm1      1.775 ppm2      8.431 CV     1
 ASSI { 3146}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.600     1.600 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.16868E-02 ppm1      1.475 ppm2      8.238 CV     1
 ASSI { 3148}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 8    and name HA  ))
      4.000     2.000     2.000 peak  3148 spectrum    1 weight  0.10000E+01 volume  0.52913E-03 ppm1      3.183 ppm2      4.613 CV     1
 ASSI { 3149}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 9    and name HA  ))
      4.500     2.500     1.500 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.45545E-03 ppm1      3.365 ppm2      4.531 CV     1
 ASSI { 3150}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 48   and name HA ))
      2.600     2.600     3.400 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.80770E-03 ppm1      3.283 ppm2      3.933 CV     1
 ASSI { 3151}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak  3151 spectrum    1 weight  0.10000E+01 volume  0.11041E-02 ppm1      1.974 ppm2      3.546 CV     1
 ASSI { 3152}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      4.400     2.400     1.600 peak  3152 spectrum    1 weight  0.10000E+01 volume  0.82425E-03 ppm1      1.820 ppm2      3.562 CV     1
 ASSI { 3158}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.600     1.600     1.600 peak  3158 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.041 ppm2      8.033 CV     1
 ASSI { 3161}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 79   and name HD21 )
      5.500     3.800     0.500 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.21502E-03 ppm1      2.747 ppm2      1.628 CV     1
 ASSI { 3178}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA ))
      3.500     3.500     2.500 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.20901E-02 ppm1      1.473 ppm2      3.878 CV     1
 ASSI { 3180}
   (( segid "    " and resid 45  and name HB2 ))
   (( segid "    " and resid 45  and name HA  ))
      2.800      0.900     0.900 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.041 ppm2      8.033 CV     1
 ASSI { 3181}
   (( segid "    " and resid 45  and name HB1 ))
   (( segid "    " and resid 45  and name HA  ))
      2.800      0.900     0.900 peak  3181 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.041 ppm2      8.033 CV     1
 ASSI { 3187}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.000     3.000     3.000 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.10061E-02 ppm1      0.840 ppm2      2.762 CV     1
 ASSI { 3190}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      2.900     2.900     3.100 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.48251E-03 ppm1      0.790 ppm2      4.120 CV     1
 ASSI { 3194}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HD1 ))
      2.800     2.800     3.200 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.92501E-03 ppm1      0.839 ppm2      4.009 CV     1
 ASSI { 3208}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 64   and name HB ))
      3.700     1.700     1.700 peak  3208 spectrum    1 weight  0.10000E+01 volume  0.11497E-02 ppm1      0.837 ppm2      2.198 CV     1
 ASSI { 3211}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      4.100     2.100     1.900 peak  3211 spectrum    1 weight  0.10000E+01 volume  0.10386E-02 ppm1      1.667 ppm2      8.723 CV     1
 ASSI { 3212}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.91707E-03 ppm1      1.573 ppm2      9.047 CV     1
 ASSI { 3213}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      3.700     1.700     1.700 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.69752E-03 ppm1      1.635 ppm2      9.045 CV     1
 ASSI { 3222}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      5.000     3.100     1.000 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.43842E-03 ppm1      1.366 ppm2      9.056 CV     1
 ASSI { 3223}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      3.600     1.600     1.600 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.70853E-03 ppm1      1.252 ppm2      7.316 CV     1
 ASSI { 3226}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      3.300     1.400     1.400 peak  3226 spectrum    1 weight  0.10000E+01 volume  0.56569E-03 ppm1      1.455 ppm2      7.311 CV     1
 ASSI { 3229}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      4.400     2.400     1.600 peak  3229 spectrum    1 weight  0.10000E+01 volume  0.84158E-03 ppm1      3.033 ppm2      4.360 CV     1
 ASSI { 3230}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      5.000     3.400     1.000 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.35373E-03 ppm1      2.854 ppm2      4.424 CV     1
 ASSI { 3233}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.900     1.900     1.900 peak  3233 spectrum    1 weight  0.10000E+01 volume  0.10295E-02 ppm1      3.223 ppm2      4.325 CV     1
 ASSI { 3234}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 40   and name HA  ))
      3.700     1.700     1.700 peak  3234 spectrum    1 weight  0.10000E+01 volume  0.74005E-03 ppm1      3.853 ppm2      4.583 CV     1
 ASSI { 3236}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HE  ))
      3.400     1.500     1.500 peak  3236 spectrum    1 weight  0.10000E+01 volume  0.79530E-03 ppm1      3.366 ppm2      7.509 CV     1
 ASSI { 3238}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HN  ))
      5.000     3.200     1.000 peak  3238 spectrum    1 weight  0.10000E+01 volume  0.48895E-03 ppm1      4.023 ppm2      8.884 CV     1
 OR { 3238}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 3243}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.400     1.500     1.500 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.14606E-02 ppm1      4.025 ppm2      7.963 CV     1
 OR { 3243}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 3244}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.200     1.300     1.300 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.15363E-02 ppm1      4.222 ppm2      7.964 CV     1
 ASSI { 3246}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.600     1.600     1.600 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.82296E-03 ppm1      4.041 ppm2      7.202 CV  1   
 ASSI { 3254}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HG1 ))
      4.300     2.300     1.700 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.59908E-03 ppm1      4.450 ppm2      2.489 CV     1
 ASSI { 3263}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 38   and name HD1%)
      3.000     3.000     3.000 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.61212E-03 ppm1      4.040 ppm2      0.891 CV     1
 ASSI { 3267}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.500     0.800     0.800 peak  3267 spectrum    1 weight  0.10000E+01 volume  0.52256E-02 ppm1      3.347 ppm2      1.943 CV     1
 ASSI { 3269}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.500     0.800     0.800 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.46833E-02 ppm1      3.310 ppm2      1.928 CV     1
 ASSI { 3271}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.600     1.700     1.700 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.59705E-03 ppm1      3.001 ppm2      2.200 CV     1
 ASSI { 3284}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      4.300     2.300     1.700 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.43480E-03 ppm1      2.417 ppm2      1.251 CV     1
 ASSI { 3306}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      3.800     1.800     1.800 peak  3306 spectrum    1 weight  0.10000E+01 volume  0.98924E-03 ppm1      2.952 ppm2      1.521 CV     1
 ASSI { 3336}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.100     3.100     2.900 peak  3336 spectrum    1 weight  0.10000E+01 volume  0.29832E-03 ppm1      0.792 ppm2      7.428 CV     1
 ASSI { 3373}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.100     1.100 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.18458E-02 ppm1      6.974 ppm2      0.892 CV     1
 ASSI { 3374}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      3.800     1.800     1.800 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      6.976 ppm2      0.719 CV     1
 ASSI { 3381}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 33   and name HD2%)
      4.100     2.100     1.900 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.10895E-02 ppm1      7.308 ppm2      1.054 CV     1
 ASSI { 3382}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HG ))
      3.600     1.700     1.700 peak  3382 spectrum    1 weight  0.10000E+01 volume  0.79543E-03 ppm1      7.307 ppm2      1.221 CV     1
 ASSI { 3384}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB2 ))
      3.000     1.100     1.100 peak  3384 spectrum    1 weight  0.10000E+01 volume  0.15542E-02 ppm1      6.810 ppm2      1.374 CV     1
 ASSI { 3385}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB1  ))
      3.000     1.100     1.100 peak  3385 spectrum    1 weight  0.10000E+01 volume  0.15566E-02 ppm1      6.806 ppm2      1.584 CV     1
 ASSI { 3386}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HG11  ))
      3.400     1.400     1.400 peak  3386 spectrum    1 weight  0.10000E+01 volume  0.10450E-02 ppm1      6.740 ppm2      1.834 CV     1
 ASSI { 3389}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.500     1.500 peak  3389 spectrum    1 weight  0.10000E+01 volume  0.11551E-02 ppm1      6.739 ppm2      1.048 CV     1
 ASSI { 3390}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 48   and name HG2%)
      3.500     1.600     1.600 peak  3390 spectrum    1 weight  0.10000E+01 volume  0.12100E-02 ppm1      6.741 ppm2      1.089 CV     1
 ASSI { 3391}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB1 ))
      2.900     1.100     1.100 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.12303E-02 ppm1      7.222 ppm2      2.250 CV     1
 ASSI { 3392}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
      3.000     1.200     1.200 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.15731E-02 ppm1      7.219 ppm2      2.034 CV     1 
 ASSI { 3393}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HG  ))
      3.200     1.300     1.300 peak  3393 spectrum    1 weight  0.10000E+01 volume  0.85887E-03 ppm1      7.222 ppm2      1.882 CV     1
 ASSI { 3394}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HB  ))
      3.800     1.800     1.800 peak  3394 spectrum    1 weight  0.10000E+01 volume  0.53228E-03 ppm1      6.740 ppm2      2.404 CV     1
 ASSI { 3395}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
      4.300     2.300     1.700 peak  3395 spectrum    1 weight  0.10000E+01 volume  0.83600E-03 ppm1      6.739 ppm2      2.823 CV     1
 ASSI { 3399}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
      3.800     1.800     1.800 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.99343E-03 ppm1      7.429 ppm2      1.451 CV     1
 ASSI { 3400}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 3    and name HG2% ))
      3.200     1.300     1.300 peak  3400 spectrum    1 weight  0.10000E+01 volume  0.10225E-02 ppm1      7.429 ppm2      1.371 CV     1
 ASSI { 3402}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB1 ))
      4.300     2.300     1.700 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.90877E-03 ppm1      6.809 ppm2      3.455 CV     1
 ASSI { 3403}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 44   and name HB% )
      2.400     0.700     0.700 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.49059E-02 ppm1      6.974 ppm2      1.520 CV     1
 ASSI { 3405}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HG  ))
      3.500     1.500     1.500 peak  3405 spectrum    1 weight  0.10000E+01 volume  0.91206E-03 ppm1      6.980 ppm2      1.407 CV     1
 ASSI { 3408}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.100     1.200     1.200 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.17610E-02 ppm1      7.223 ppm2      0.885 CV     1
 ASSI { 3409}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.000     1.200     1.200 peak  3409 spectrum    1 weight  0.10000E+01 volume  0.12095E-02 ppm1      7.170 ppm2      0.900 CV     1
 ASSI { 3413}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
      4.200     2.200     1.800 peak  3413 spectrum    1 weight  0.10000E+01 volume  0.87793E-03 ppm1      6.977 ppm2      0.233 CV     1
 ASSI { 3415}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD1%)
      3.400     1.500     1.500 peak  3415 spectrum    1 weight  0.10000E+01 volume  0.10661E-02 ppm1      7.425 ppm2      0.630 CV     1
 OR { 3415}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 3423}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.700     0.900     0.900 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.27096E-02 ppm1      4.392 ppm2      2.137 CV     1
 ASSI { 3428}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HB2 ))
      3.200     1.300     1.300 peak  3428 spectrum    1 weight  0.10000E+01 volume  0.10715E-02 ppm1      7.307 ppm2      2.026 CV     1
 ASSI { 3429}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HA  ))
      4.000     2.000     2.000 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.93964E-03 ppm1      7.309 ppm2      4.720 CV     1
 ASSI { 3431}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HB1  ))
      3.300     1.400     1.400 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.13948E-02 ppm1      7.429 ppm2      1.590 CV     1
 ASSI { 3433}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      3.900     1.900     1.900 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.53036E-03 ppm1      0.791 ppm2      7.217 CV     1
 ASSI { 3443}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      4.200     2.300     1.800 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.50347E-03 ppm1      0.339 ppm2      6.742 CV     1
 ASSI { 3444}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      4.800     2.800     1.200 peak  3444 spectrum    1 weight  0.10000E+01 volume  0.46101E-03 ppm1      0.231 ppm2      6.745 CV     1
 ASSI { 3447}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      2.700     2.700     3.300 peak  3447 spectrum    1 weight  0.10000E+01 volume  0.68111E-03 ppm1      1.113 ppm2      6.740 CV     1
 ASSI { 3454}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
      4.900     3.100     1.100 peak  3454 spectrum    1 weight  0.10000E+01 volume  0.57553E-03 ppm1      1.059 ppm2      7.822 CV     1
 ASSI { 3457}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
      3.900     1.900     1.900 peak  3457 spectrum    1 weight  0.10000E+01 volume  0.43291E-03 ppm1      1.010 ppm2      6.888 CV     1
 OR { 3457}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 3491}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      3.900     1.900     1.900 peak  3491 spectrum    1 weight  0.10000E+01 volume  0.50733E-03 ppm1      1.262 ppm2      6.727 CV     1
 ASSI { 3498}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  3498 spectrum    1 weight  0.10000E+01 volume  0.56964E-03 ppm1      1.199 ppm2      7.221 CV     1
 ASSI { 3510}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      4.200     2.200     1.800 peak  3512 spectrum    1 weight  0.10000E+01 volume  0.42461E-03 ppm1      1.010 ppm2      8.304 CV     1
 ASSI { 3512}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
      4.200     2.200     1.800 peak  3512 spectrum    1 weight  0.10000E+01 volume  0.42461E-03 ppm1      1.010 ppm2      8.304 CV     1
 OR { 3512}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 3518}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 44   and name HN  ))
      5.100     3.200     0.900 peak  3518 spectrum    1 weight  0.10000E+01 volume  0.23037E-03 ppm1      1.007 ppm2      8.101 CV     1
 ASSI { 3521}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak  3521 spectrum    1 weight  0.10000E+01 volume  0.10727E-02 ppm1      1.381 ppm2      8.238 CV     1
 ASSI { 3523}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 79   and name HN  ))
      4.900     3.000     1.100 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.31111E-03 ppm1      1.273 ppm2      8.869 CV     1
 ASSI { 3546}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 30   and name HE% ))
      4.000     2.000     2.000 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.67194E-03 ppm1      2.208 ppm2      7.202 CV     1
 ASSI { 3547}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 35   and name HE% )
      3.600     1.600     1.600 peak  3547 spectrum    1 weight  0.10000E+01 volume  0.41007E-03 ppm1      2.198 ppm2      6.953 CV     1
 ASSI { 3549}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HE  ))
      4.700     2.700     1.300 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.46036E-03 ppm1      2.023 ppm2      7.524 CV     1
 ASSI { 3552}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.56493E-03 ppm1      2.412 ppm2      8.245 CV     1
 OR { 3552}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 3554}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 69   and name HN  ))
      4.800     2.900     1.200 peak  3554 spectrum    1 weight  0.10000E+01 volume  0.32976E-03 ppm1      2.548 ppm2      9.055 CV     1
 ASSI { 3555}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.400     2.400     1.600 peak  3555 spectrum    1 weight  0.10000E+01 volume  0.33565E-03 ppm1      2.613 ppm2      9.053 CV     1
 ASSI { 3566}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 30   and name HD% )
      4.500     2.500     1.500 peak  3566 spectrum    1 weight  0.10000E+01 volume  0.59308E-03 ppm1      1.881 ppm2      7.333 CV     1
 ASSI { 3567}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak  3567 spectrum    1 weight  0.10000E+01 volume  0.69445E-03 ppm1      2.217 ppm2      7.594 CV     1
 ASSI { 3569}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak  3569 spectrum    1 weight  0.10000E+01 volume  0.15120E-02 ppm1      2.450 ppm2      8.455 CV     1
 ASSI { 3586}
   (( segid "    " and resid 55   and name HG1 ))
   (  segid "    " and resid 56   and name HE% )
      4.700     2.800     1.300 peak  3586 spectrum    1 weight  0.10000E+01 volume  0.47399E-03 ppm1      1.345 ppm2      6.811 CV     1
 ASSI { 3587}
   (( segid "    " and resid 55   and name HG1 ))
   (  segid "    " and resid 56   and name HD% )
      5.000     3.200     1.000 peak  3587 spectrum    1 weight  0.10000E+01 volume  0.43387E-03 ppm1      1.346 ppm2      7.425 CV     1
 ASSI { 3594}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak  3594 spectrum    1 weight  0.10000E+01 volume  0.51820E-03 ppm1      1.852 ppm2      4.901 CV     1
 ASSI { 3596}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.700     1.700     1.700 peak  3596 spectrum    1 weight  0.10000E+01 volume  0.12022E-02 ppm1      2.024 ppm2      8.459 CV     1
 ASSI { 3599}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak  3599 spectrum    1 weight  0.10000E+01 volume  0.86618E-03 ppm1      3.888 ppm2      7.642 CV     1
 ASSI { 3600}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.400     2.400     1.600 peak  3600 spectrum    1 weight  0.10000E+01 volume  0.33560E-03 ppm1      3.867 ppm2      7.892 CV     1
 ASSI { 3601}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HZ )
      4.100     2.100     1.900 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.79582E-03 ppm1      3.862 ppm2      7.327 CV     1
 ASSI { 3602}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.400     2.400     1.600 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.22682E-03 ppm1      3.864 ppm2      7.223 CV     1
 ASSI { 3604}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.700     1.700     1.700 peak  3604 spectrum    1 weight  0.10000E+01 volume  0.56471E-03 ppm1      3.859 ppm2      8.241 CV     1
 ASSI { 3606}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.800     1.800     1.800 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.70721E-03 ppm1      3.940 ppm2      8.697 CV     1
 ASSI { 3607}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.700     1.700     1.700 peak  3607 spectrum    1 weight  0.10000E+01 volume  0.43308E-03 ppm1      4.225 ppm2      9.016 CV     1
 ASSI { 3615}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  3615 spectrum    1 weight  0.10000E+01 volume  0.82208E-03 ppm1      4.198 ppm2      8.234 CV     1
 ASSI { 3619}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.900     1.900     1.900 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.78946E-03 ppm1      4.379 ppm2      7.974 CV     1
 ASSI { 3620}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      4.100     2.100     1.900 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.43258E-03 ppm1      4.325 ppm2      7.812 CV     1
 ASSI { 3626}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HN  ))
      5.000     3.100     1.000 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.31892E-03 ppm1      3.211 ppm2      8.835 CV     1
 ASSI { 3628}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.500     3.500     2.500 peak  3628 spectrum    1 weight  0.10000E+01 volume  0.15508E-03 ppm1      3.563 ppm2      8.233 CV     1
ASSI { 3630}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.200     1.800 peak  3630 spectrum    1 weight  0.10000E+01 volume  0.50223E-03 ppm1      3.041 ppm2      7.209 CV     1
 ASSI { 3631}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HE  ))
      3.500     1.600     1.600 peak  3631 spectrum    1 weight  0.10000E+01 volume  0.59327E-03 ppm1      3.005 ppm2      7.188 CV     1
 ASSI { 3634}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.800     1.600     1.600 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.59327E-03 ppm1      3.005 ppm2      7.188 CV     1
 ASSI { 3638}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HN  ))
      5.200     3.400     0.800 peak  3638 spectrum    1 weight  0.10000E+01 volume  0.38846E-03 ppm1      3.364 ppm2      8.022 CV     1
 ASSI { 3639}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HE% )
      4.900     3.000     1.100 peak  3639 spectrum    1 weight  0.10000E+01 volume  0.38095E-03 ppm1      2.959 ppm2      6.742 CV     1
 ASSI { 3652}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 29   and name HA  ))
      4.100     2.100     1.900 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.51869E-03 ppm1      3.883 ppm2      4.854 CV     1
 ASSI { 3655}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HA  ))
      4.300     2.300     1.700 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.56043E-03 ppm1      4.020 ppm2      4.907 CV     1
 OR { 3655}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 3658}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      3.800     1.800     1.800 peak  3658 spectrum    1 weight  0.10000E+01 volume  0.71001E-03 ppm1      4.202 ppm2      0.231 CV     1
 ASSI { 3663}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.100     2.100     1.900 peak  3663 spectrum    1 weight  0.10000E+01 volume  0.45173E-03 ppm1      3.942 ppm2      3.295 CV     1
 ASSI { 3664}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HD1 ))
      3.900     1.900     1.900 peak  3664 spectrum    1 weight  0.10000E+01 volume  0.36592E-03 ppm1      3.941 ppm2      3.423 CV     1
 ASSI { 3665}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.200     2.200     1.800 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.64931E-03 ppm1      3.748 ppm2      4.639 CV     1
 ASSI { 3666}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.500     2.500     1.500 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.62064E-03 ppm1      3.796 ppm2      4.643 CV     1
 ASSI { 3667}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.100     1.100 peak  3667 spectrum    1 weight  0.10000E+01 volume  0.36537E-02 ppm1      2.694 ppm2      7.893 CV     1
 ASSI { 3685}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 79   and name HN  ))
      4.600     2.700     1.400 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.44461E-03 ppm1      1.731 ppm2      8.873 CV     1
 ASSI { 3686}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 37   and name HN  ))
      5.000     3.100     1.000 peak  3686 spectrum    1 weight  0.10000E+01 volume  0.51563E-03 ppm1      1.514 ppm2      7.590 CV     1
 ASSI { 3692}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      5.000     3.100     1.000 peak  3692 spectrum    1 weight  0.10000E+01 volume  0.41264E-03 ppm1      1.704 ppm2      9.422 CV     1
 ASSI { 3693}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      4.500     2.600     1.500 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.27493E-03 ppm1      1.831 ppm2      9.639 CV     1
 ASSI { 3696}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak  3696 spectrum    1 weight  0.10000E+01 volume  0.71214E-03 ppm1      1.008 ppm2      7.825 CV     1
 ASSI { 3702}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 19   and name HA2 ))
      4.800     2.800     1.200 peak  3702 spectrum    1 weight  0.10000E+01 volume  0.37624E-03 ppm1      2.411 ppm2      4.055 CV     1
 OR { 3702}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 19   and name HA1 ))
 OR { 3702}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 19   and name HA2 ))
 OR { 3702}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI { 3705}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      5.200     3.400     0.800 peak  3705 spectrum    1 weight  0.10000E+01 volume  0.35373E-03 ppm1      2.854 ppm2      4.424 CV     1
 ASSI { 3709}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 44   and name HA  ))
      3.500     1.600     1.600 peak  3709 spectrum    1 weight  0.10000E+01 volume  0.67478E-03 ppm1      2.603 ppm2      4.301 CV     1
 ASSI { 3711}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 52   and name HA  ))
      4.800     2.900     1.200 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.22141E-03 ppm1      3.006 ppm2      4.317 CV     1
 ASSI { 3718}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.400     1.400     1.400 peak  3718 spectrum    1 weight  0.10000E+01 volume  0.10690E-02 ppm1      4.441 ppm2      8.182 CV     1
 ASSI { 3723}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      4.100     2.100     1.900 peak  3723 spectrum    1 weight  0.10000E+01 volume  0.52628E-03 ppm1      4.449 ppm2      7.957 CV     1
 ASSI { 3724}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      5.400     3.700     0.600 peak  3724 spectrum    1 weight  0.10000E+01 volume  0.32853E-03 ppm1      4.389 ppm2      7.957 CV     1
 ASSI { 3728}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      4.000     2.000     2.000 peak  3728 spectrum    1 weight  0.10000E+01 volume  0.72565E-03 ppm1      4.445 ppm2      7.448 CV     1
 ASSI { 3730}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      4.000     2.000     2.000 peak  3730 spectrum    1 weight  0.10000E+01 volume  0.41746E-03 ppm1      4.359 ppm2      6.739 CV     1
 ASSI { 3733}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      4.000     2.000     2.000 peak  3733 spectrum    1 weight  0.10000E+01 volume  0.61223E-03 ppm1      4.370 ppm2      6.751 CV     1
 ASSI { 3739}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      4.700     2.800     1.300 peak  3739 spectrum    1 weight  0.10000E+01 volume  0.53190E-03 ppm1      2.803 ppm2      6.813 CV     1
 ASSI { 3744}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H28A )
      5.200     3.800     0.800 peak  3744 spectrum    1 weight  0.10000E+01 volume  0.53190E-03 ppm1      2.803 ppm2      6.813 CV     1
 OR { 3744}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H28B )
 ASSI { 3755}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      4.400     2.500     1.600 peak  3755 spectrum    1 weight  0.10000E+01 volume  0.59152E-03 ppm1      4.314 ppm2      0.606 CV     1
 OR { 3755}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 3760}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.100     1.200     1.200 peak  3760 spectrum    1 weight  0.10000E+01 volume  0.12696E-02 ppm1      3.006 ppm2      1.872 CV     1    
 ASSI { 3761}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 38   and name HD1%)
      2.900     2.900     3.100 peak  3761 spectrum    1 weight  0.10000E+01 volume  0.70286E-03 ppm1      2.918 ppm2      0.899 CV     1
 ASSI { 3762}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.600     1.600     1.600 peak  3762 spectrum    1 weight  0.10000E+01 volume  0.54422E-03 ppm1      2.922 ppm2      2.037 CV     1
 ASSI { 3767}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      4.600     2.600     1.400 peak  3767 spectrum    1 weight  0.10000E+01 volume  0.69141E-03 ppm1      2.700 ppm2      8.826 CV     1
 ASSI { 3774}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak  3774 spectrum    1 weight  0.10000E+01 volume  0.52644E-03 ppm1      3.551 ppm2      8.467 CV     1
 ASSI { 3776}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      3.200     1.600     1.600 peak  3776 spectrum    1 weight  0.10000E+01 volume  0.63066E-03 ppm1      3.306 ppm2      4.365 CV     1
 ASSI { 3787}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 64   and name HN  ))
      5.300     3.600     0.700 peak  3787 spectrum    1 weight  0.10000E+01 volume  0.49251E-03 ppm1      2.133 ppm2      7.444 CV     1
 ASSI { 3788}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 64   and name HN  ))
      4.300     2.300     1.700 peak  3788 spectrum    1 weight  0.10000E+01 volume  0.56432E-03 ppm1      2.106 ppm2      7.445 CV     1
 ASSI { 3789}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 40   and name HN  ))
      4.600     2.700     1.400 peak  3789 spectrum    1 weight  0.10000E+01 volume  0.59623E-03 ppm1      1.507 ppm2      7.985 CV     1
 ASSI { 3796}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
      4.700     2.800     1.300 peak  3796 spectrum    1 weight  0.10000E+01 volume  0.29542E-03 ppm1      0.644 ppm2      2.787 CV     1
 ASSI { 3797}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
      4.300     2.300     1.700 peak  3797 spectrum    1 weight  0.10000E+01 volume  0.34228E-03 ppm1      0.608 ppm2      2.799 CV     1
 ASSI { 3799}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      4.300     2.300     1.700 peak  3799 spectrum    1 weight  0.10000E+01 volume  0.58692E-03 ppm1      3.453 ppm2      7.947 CV     1
 ASSI { 3800}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.300     1.400     1.400 peak  3800 spectrum    1 weight  0.10000E+01 volume  0.10792E-02 ppm1      4.219 ppm2      7.960 CV     1
 ASSI { 3802}
   (( segid "    " and resid 41   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      4.900     3.000     1.100 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.46917E-03 ppm1      3.283 ppm2      1.518 CV     1
 ASSI { 3805}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
      3.600     1.600     1.600 peak  3805 spectrum    1 weight  0.10000E+01 volume  0.57939E-03 ppm1      2.860 ppm2      1.519 CV     1
 ASSI { 3810}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
      2.400     2.400     3.600 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.12852E-02 ppm1      2.708 ppm2      1.393 CV     1
 ASSI { 3813}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 26   and name HD2%)
      4.300     2.300     1.700 peak  3813 spectrum    1 weight  0.10000E+01 volume  0.36753E-03 ppm1      3.032 ppm2      0.792 CV     1
 ASSI { 3814}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
      4.100     2.100     1.900 peak  3814 spectrum    1 weight  0.10000E+01 volume  0.37315E-03 ppm1      3.028 ppm2      0.890 CV     1
 ASSI { 3815}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      3.400     1.400     1.400 peak  3815 spectrum    1 weight  0.10000E+01 volume  0.14335E-02 ppm1      3.036 ppm2      1.052 CV     1
 ASSI { 3816}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
      4.100     2.100     1.900 peak  3816 spectrum    1 weight  0.10000E+01 volume  0.59993E-03 ppm1      3.452 ppm2      0.632 CV     1
 OR { 3816}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 3817}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HD1%)
      3.100     3.100     2.900 peak  3817 spectrum    1 weight  0.10000E+01 volume  0.53332E-03 ppm1      4.016 ppm2      0.838 CV     1
 ASSI { 3820}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      4.200     2.300     1.800 peak  3820 spectrum    1 weight  0.10000E+01 volume  0.51228E-03 ppm1      3.921 ppm2      1.651 CV     1
 ASSI { 3835}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      3.900     1.900     1.900 peak  3835 spectrum    1 weight  0.10000E+01 volume  0.41766E-03 ppm1      2.306 ppm2      7.215 CV     1
 ASSI { 3842}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD1 ))
      4.400     2.400     1.600 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.82803E-03 ppm1      4.093 ppm2      3.067 CV     1
 ASSI { 3845}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HD1%)
      4.800     2.900     1.200 peak  3845 spectrum    1 weight  0.10000E+01 volume  0.48503E-03 ppm1      3.562 ppm2      0.850 CV     1
 ASSI { 3857}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      3.900     1.900     1.900 peak  3857 spectrum    1 weight  0.10000E+01 volume  0.32264E-03 ppm1      2.259 ppm2      3.421 CV     1
 ASSI { 3867}
   (( segid "    " and resid 68   and name HG2% ))
   (( segid "    " and resid 42   and name H10A ))
      4.500     1.900     1.500 peak  3867 spectrum    1 weight  0.10000E+01 volume  0.32264E-03 ppm1      2.259 ppm2      3.421 CV     1
 OR { 3867}
   (( segid "    " and resid 68   and name HG2% ))
   (( segid "    " and resid 42   and name H8A ))
 ASSI { 3870}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 35   and name HZ  ))
      5.800     4.200     0.200 peak  3870 spectrum    1 weight  0.10000E+01 volume  0.20415E-03 ppm1      2.013 ppm2      6.904 CV     1
 ASSI { 3885}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      4.100     2.100     1.900 peak  3885 spectrum    1 weight  0.10000E+01 volume  0.87702E-03 ppm1      2.021 ppm2      3.935 CV     1
 ASSI { 3896}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak  3896 spectrum    1 weight  0.10000E+01 volume  0.79899E-03 ppm1      4.173 ppm2      7.819 CV     1
 ASSI { 3897}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
      4.100     2.100     1.900 peak  3897 spectrum    1 weight  0.10000E+01 volume  0.48005E-03 ppm1      4.227 ppm2      2.923 CV     1
 ASSI { 3898}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.200     1.900     1.900 peak  3898 spectrum    1 weight  0.10000E+01 volume  0.20721E-02 ppm1      4.360 ppm2      3.039 CV     1
 ASSI { 3899}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H5A ))
      4.000     2.000     2.000 peak  3899 spectrum    1 weight  0.10000E+01 volume  0.68996E-03 ppm1      4.193 ppm2      2.897 CV     1
 OR { 3899}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H5B ))
 ASSI { 3938}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 67   and name HN  ))
      5.700     4.100     0.300 peak  3938 spectrum    1 weight  0.10000E+01 volume  0.30487E-03 ppm1      2.376 ppm2      7.647 CV     1
 ASSI { 3940}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      2.600     2.600     3.400 peak  3940 spectrum    1 weight  0.10000E+01 volume  0.77171E-03 ppm1      0.788 ppm2      8.875 CV     1
 ASSI { 3942}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB1 ))
      3.200     1.300     1.300 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.81671E-03 ppm1      7.429 ppm2      1.881 CV     1
 ASSI { 3943}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak  3943 spectrum    1 weight  0.10000E+01 volume  0.19968E-02 ppm1      7.426 ppm2      8.064 CV     1
 ASSI { 3956}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      5.100     3.200     0.900 peak  3956 spectrum    1 weight  0.10000E+01 volume  0.54277E-03 ppm1      2.114 ppm2      4.117 CV     1
 ASSI { 3957}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 52   and name HN  ))
      4.800     2.900     1.200 peak  3957 spectrum    1 weight  0.10000E+01 volume  0.20082E-03 ppm1      2.777 ppm2      8.480 CV     1
 ASSI { 3958}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 60   and name HD1%)
      3.700     1.700     1.700 peak  3958 spectrum    1 weight  0.10000E+01 volume  0.72222E-03 ppm1      2.356 ppm2      0.830 CV     1
 ASSI { 3965}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
      4.500     2.500     1.500 peak  3965 spectrum    1 weight  0.10000E+01 volume  0.34559E-03 ppm1      2.506 ppm2      4.808 CV     1
 OR { 3965}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 3968}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.200     0.600     0.600 peak  3968 spectrum    1 weight  0.10000E+01 volume  0.13207E-01 ppm1      2.411 ppm2      2.232 CV     1
 OR { 3968}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 3994}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.800     1.800 peak  3994 spectrum    1 weight  0.10000E+01 volume  0.65484E-03 ppm1      4.206 ppm2      8.385 CV     1
 ASSI { 4000}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HN  ))
      4.600     2.600     1.400 peak  4000 spectrum    1 weight  0.10000E+01 volume  0.34787E-03 ppm1      1.338 ppm2      7.671 CV     1
 ASSI { 4001}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      4.900     3.000     1.100 peak  4001 spectrum    1 weight  0.10000E+01 volume  0.60113E-03 ppm1      1.048 ppm2      7.199 CV     1
 ASSI { 4011}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 47   and name HB1 ))
      4.500     2.500     1.500 peak  4011 spectrum    1 weight  0.10000E+01 volume  0.56501E-03 ppm1      1.519 ppm2      2.337 CV     1
 ASSI { 4015}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HG2 ))
      3.800     1.800     1.800 peak  4015 spectrum    1 weight  0.10000E+01 volume  0.35767E-03 ppm1      1.340 ppm2      2.673 CV     1
 ASSI { 4034}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak  4034 spectrum    1 weight  0.10000E+01 volume  0.11257E-01 ppm1      1.032 ppm2      2.263 CV     1
 ASSI { 4050}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB1 ))
      4.600     2.700     1.400 peak  4050 spectrum    1 weight  0.10000E+01 volume  0.29884E-03 ppm1      3.063 ppm2      2.193 CV     1
 ASSI { 4056}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 35   and name HZ  ))
      5.600     3.900     0.400 peak  4056 spectrum    1 weight  0.10000E+01 volume  0.20227E-03 ppm1      1.039 ppm2      6.867 CV     1
 ASSI { 4057}
   (  segid "    " and resid 70   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      5.000     3.100     1.000 peak  4057 spectrum    1 weight  0.10000E+01 volume  0.27231E-03 ppm1      1.032 ppm2      6.961 CV     1
 ASSI { 4063}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 45   and name HB1  )
      2.800     1.100     1.000 peak  4063 spectrum    1 weight  0.10000E+01 volume  0.27231E-03 ppm1      1.032 ppm2      6.961 CV     1
 ASSI { 4064}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 45   and name HB1  )
      2.800     1.100     1.000 peak  4064 spectrum    1 weight  0.10000E+01 volume  0.27231E-03 ppm1      1.032 ppm2      6.961 CV     1
 ASSI { 4070}
   (  segid "    " and resid 74   and name HG)
   (( segid "    " and resid 74   and name HA  ))
      2.800     2.000     2.000 peak  4070 spectrum    1 weight  0.10000E+01 volume  0.11561E-02 ppm1      0.932 ppm2      4.241 CV     1
 ASSI { 4073}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.500     1.500 peak  4073 spectrum    1 weight  0.10000E+01 volume  0.86393E-03 ppm1      0.800 ppm2      3.916 CV     1
 ASSI { 4074}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
      3.400     1.500     1.500 peak  4074 spectrum    1 weight  0.10000E+01 volume  0.55049E-03 ppm1      0.983 ppm2      3.457 CV     1
 ASSI { 4079}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 38   and name HB  ))
      4.700     2.700     1.300 peak  4079 spectrum    1 weight  0.10000E+01 volume  0.28381E-03 ppm1      0.802 ppm2      2.405 CV     1
 ASSI { 4081}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      4.100     2.100     1.900 peak  4081 spectrum    1 weight  0.10000E+01 volume  0.10538E-02 ppm1      1.524 ppm2      7.822 CV     1
 ASSI { 4082}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
      4.000     2.000     2.000 peak  4082 spectrum    1 weight  0.10000E+01 volume  0.13121E-02 ppm1      1.523 ppm2      8.227 CV     1
 ASSI { 4107}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      4.300     2.300     1.700 peak  4107 spectrum    1 weight  0.10000E+01 volume  0.33626E-03 ppm1      2.147 ppm2      4.487 CV     1
 ASSI { 4112}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HA  ))
      4.700     2.800     1.300 peak  4112 spectrum    1 weight  0.10000E+01 volume  0.34425E-03 ppm1      1.123 ppm2      4.595 CV     1
 ASSI { 4119}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      5.000     3.100     1.000 peak  4119 spectrum    1 weight  0.10000E+01 volume  0.46693E-03 ppm1      1.383 ppm2      4.851 CV     1
 ASSI { 4122}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      3.700     1.700     1.700 peak  4122 spectrum    1 weight  0.10000E+01 volume  0.12129E-02 ppm1      0.985 ppm2      8.275 CV     1
 ASSI { 4124}
   (  segid "    " and resid 82   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.400     1.400     1.400 peak  4124 spectrum    1 weight  0.10000E+01 volume  0.12552E-02 ppm1      0.987 ppm2      7.435 CV     1
 ASSI { 4132}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
      2.300     0.700     0.700 peak  4132 spectrum    1 weight  0.10000E+01 volume  0.59914E-02 ppm1      0.987 ppm2      1.856 CV     1
 ASSI { 4133}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB2 ))
      2.400     0.700     0.700 peak  4133 spectrum    1 weight  0.10000E+01 volume  0.56871E-02 ppm1      0.986 ppm2      1.560 CV     1
 ASSI { 4135}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD22))
      4.000     2.000     2.000 peak  4135 spectrum    1 weight  0.10000E+01 volume  0.52658E-03 ppm1      0.884 ppm2      7.646 CV     1
 ASSI { 4148}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HN  ))
      5.500     3.800     0.500 peak  4148 spectrum    1 weight  0.10000E+01 volume  0.23492E-03 ppm1      3.302 ppm2      8.043 CV     1
 ASSI { 4153}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      4.300     2.300     1.700 peak  4153 spectrum    1 weight  0.10000E+01 volume  0.43620E-03 ppm1      0.793 ppm2      4.224 CV     1
 ASSI { 4160}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HB1 ))
      3.500     1.500     1.500 peak  4160 spectrum    1 weight  0.10000E+01 volume  0.77344E-03 ppm1      1.060 ppm2      2.297 CV     1
 ASSI { 4169}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HN  ))
      4.800     2.900     1.200 peak  4169 spectrum    1 weight  0.10000E+01 volume  0.49733E-03 ppm1      1.390 ppm2      8.245 CV     1
 ASSI { 4170}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HD% )
      3.100     1.200     1.200 peak  4170 spectrum    1 weight  0.10000E+01 volume  0.87845E-03 ppm1      1.368 ppm2      7.313 CV     1
 ASSI { 4180}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 70   and name HA  ))
      5.400     3.700     0.600 peak  4180 spectrum    1 weight  0.10000E+01 volume  0.40829E-03 ppm1      1.385 ppm2      4.908 CV     1
 ASSI { 4183}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 15   and name HN  ))
      4.300     2.300     1.700 peak  4183 spectrum    1 weight  0.10000E+01 volume  0.26771E-03 ppm1      1.852 ppm2      8.470 CV     1
 ASSI { 4189}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 30   and name HE%  ))
      3.300     1.400     1.400 peak  4189 spectrum    1 weight  0.10000E+01 volume  0.88404E-03 ppm1      1.388 ppm2      7.200 CV     1
 ASSI { 4191}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      4.500     2.500     1.500 peak  4191 spectrum    1 weight  0.10000E+01 volume  0.28597E-03 ppm1      3.870 ppm2      4.603 CV     1
 ASSI { 4193}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HN  ))
      4.600     2.700     1.400 peak  4193 spectrum    1 weight  0.10000E+01 volume  0.37983E-03 ppm1      1.413 ppm2      8.820 CV     1
 ASSI { 4197}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HE  ))
      3.900     1.900     1.900 peak  4197 spectrum    1 weight  0.10000E+01 volume  0.46129E-03 ppm1      1.701 ppm2      7.522 CV     1
 ASSI { 4199}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      4.900     3.000     1.100 peak  4199 spectrum    1 weight  0.10000E+01 volume  0.52428E-03 ppm1      1.867 ppm2      0.792 CV     1
 ASSI { 4200}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      4.100     2.100     1.900 peak  4200 spectrum    1 weight  0.10000E+01 volume  0.64318E-03 ppm1      1.577 ppm2      4.318 CV     1
 ASSI { 4201}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.100     2.100     1.900 peak  4201 spectrum    1 weight  0.10000E+01 volume  0.56506E-03 ppm1      2.027 ppm2      4.357 CV     1
 ASSI { 4202}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.700     1.700 peak  4202 spectrum    1 weight  0.10000E+01 volume  0.12022E-02 ppm1      2.024 ppm2      8.459 CV     1
 ASSI { 4203}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.500     1.700     1.700 peak  4202 spectrum    1 weight  0.10000E+01 volume  0.12022E-02 ppm1      2.024 ppm2      8.459 CV     1
 ASSI { 4204}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD1  ))
      3.300     3.300     2.700 peak  4204 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      2.023 ppm2      8.145 CV     1
 ASSI { 4208}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      4.500     2.500     1.500 peak  4208 spectrum    1 weight  0.10000E+01 volume  0.27901E-03 ppm1      2.025 ppm2      1.629 CV     1
 ASSI { 4216}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HN  ))
      4.500     2.600     1.500 peak  4216 spectrum    1 weight  0.10000E+01 volume  0.24663E-03 ppm1      1.451 ppm2      8.889 CV     1
 ASSI { 4234}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.500     1.500 peak  4234 spectrum    1 weight  0.10000E+01 volume  0.74761E-03 ppm1      1.441 ppm2      3.919 CV     1
 ASSI { 4243}
   (( segid "    " and resid 74   and name HD2% ))
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.500     1.500 peak  4234 spectrum    1 weight  0.10000E+01 volume  0.74761E-03 ppm1      1.441 ppm2      3.919 CV     1
 ASSI { 4249}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.100     1.100 peak  4249 spectrum    1 weight  0.10000E+01 volume  0.16244E-02 ppm1      4.373 ppm2      8.366 CV     1
 ASSI { 4251}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.800     2.900     1.200 peak  4251 spectrum    1 weight  0.10000E+01 volume  0.92328E-03 ppm1      4.370 ppm2      2.960 CV     1
 ASSI { 4253}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
      3.400     1.400     1.400 peak  4253 spectrum    1 weight  0.10000E+01 volume  0.34842E-02 ppm1      4.368 ppm2      1.517 CV     1
 ASSI { 4255}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 31   and name HB2 ))
      4.200     2.200     1.800 peak  4255 spectrum    1 weight  0.10000E+01 volume  0.32108E-03 ppm1      3.479 ppm2      1.027 CV     1
 ASSI { 4257}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HN  ))
      5.300     3.600     0.700 peak  4257 spectrum    1 weight  0.10000E+01 volume  0.17140E-03 ppm1      1.008 ppm2      7.990 CV     1
 OR { 4257}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 4258}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 42   and name H8A ))
      3.000     3.000     3.000 peak  4258 spectrum    1 weight  0.10000E+01 volume  0.39273E-03 ppm1      1.010 ppm2      7.266 CV     1
 OR { 4258}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 42   and name H8A ))
 OR { 4258}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 42   and name H10A))
 ASSI { 4262}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG2 ))
      3.000     1.100     1.100 peak  4262 spectrum    1 weight  0.10000E+01 volume  0.32311E-02 ppm1      3.007 ppm2      0.985 CV     1
 ASSI { 4267}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      4.600     2.700     1.400 peak  4267 spectrum    1 weight  0.10000E+01 volume  0.26293E-03 ppm1      2.316 ppm2      0.458 CV     1
 ASSI { 4307}
   (( segid "    " and resid 55   and name HG2 ))
   (  segid "    " and resid 56   and name HD% )
      4.400     2.400     1.600 peak  4307 spectrum    1 weight  0.10000E+01 volume  0.38312E-03 ppm1      0.985 ppm2      7.434 CV     1
 ASSI { 4309}
   (( segid "    " and resid 55   and name HG2 ))
   (  segid "    " and resid 56   and name HE% )
      4.100     2.100     1.900 peak  4309 spectrum    1 weight  0.10000E+01 volume  0.60264E-03 ppm1      0.979 ppm2      6.815 CV     1
 ASSI { 4315}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
      4.500     2.600     1.500 peak  4315 spectrum    1 weight  0.10000E+01 volume  0.43491E-03 ppm1      1.836 ppm2      2.509 CV     1
 OR { 4315}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI { 4317}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.500     1.500 peak  4317 spectrum    1 weight  0.10000E+01 volume  0.65276E-03 ppm1      2.191 ppm2      9.630 CV     1
 ASSI { 4318}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.100     1.100 peak  4318 spectrum    1 weight  0.10000E+01 volume  0.21959E-02 ppm1      2.233 ppm2      8.466 CV     1
 ASSI { 4319}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.200     1.200     1.200 peak  4319 spectrum    1 weight  0.10000E+01 volume  0.20142E-02 ppm1      2.193 ppm2      8.435 CV     1
 ASSI { 4326}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
      3.200     3.200     2.800 peak  4326 spectrum    1 weight  0.10000E+01 volume  0.27355E-03 ppm1      2.769 ppm2      0.958 CV     1
 ASSI { 4330}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HB2 ))
      4.000     2.000     2.000 peak  4330 spectrum    1 weight  0.10000E+01 volume  0.82877E-03 ppm1      4.041 ppm2      2.032 CV     1
 ASSI { 4331}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.500     2.600     1.500 peak  4331 spectrum    1 weight  0.10000E+01 volume  0.60500E-03 ppm1      4.043 ppm2      3.323 CV     1
 ASSI { 4337}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HB% )
      3.800     1.800     1.800 peak  4337 spectrum    1 weight  0.10000E+01 volume  0.97762E-03 ppm1      4.391 ppm2      1.597 CV     1
 ASSI { 4339}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     1.300     1.300 peak  4339 spectrum    1 weight  0.10000E+01 volume  0.13165E-02 ppm1      3.919 ppm2      8.458 CV     1
 ASSI { 4341}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      5.300     3.500     0.700 peak  4341 spectrum    1 weight  0.10000E+01 volume  0.24763E-03 ppm1      3.922 ppm2      8.294 CV     1
 ASSI { 4344}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      4.300     2.300     1.700 peak  4344 spectrum    1 weight  0.10000E+01 volume  0.33834E-03 ppm1      3.876 ppm2      7.962 CV     1
 ASSI { 4345}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      5.000     3.100     1.000 peak  4345 spectrum    1 weight  0.10000E+01 volume  0.32404E-03 ppm1      3.876 ppm2      8.122 CV     1
 ASSI { 4348}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.600     0.900     0.900 peak  4348 spectrum    1 weight  0.10000E+01 volume  0.66566E-02 ppm1      4.198 ppm2      2.134 CV     1
 ASSI { 4349}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD2 ))
      4.400     2.400     1.600 peak  4349 spectrum    1 weight  0.10000E+01 volume  0.90858E-03 ppm1      4.089 ppm2      3.013 CV     1
 ASSI { 4350}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.200     1.300     1.300 peak  4350 spectrum    1 weight  0.10000E+01 volume  0.14937E-02 ppm1      4.237 ppm2      8.662 CV     1
 ASSI { 4352}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
      2.500     2.500     3.500 peak  4352 spectrum    1 weight  0.10000E+01 volume  0.98675E-03 ppm1      1.339 ppm2      2.166 CV     1
 ASSI { 4357}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      4.200     2.200     1.800 peak  4357 spectrum    1 weight  0.10000E+01 volume  0.34587E-03 ppm1      2.809 ppm2      0.628 CV     1
 OR { 4357}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 4358}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
      3.300     1.400     1.400 peak  4358 spectrum    1 weight  0.10000E+01 volume  0.52401E-03 ppm1      2.959 ppm2      1.391 CV     1
 ASSI { 4359}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      5.300     3.500     0.700 peak  4359 spectrum    1 weight  0.10000E+01 volume  0.41349E-03 ppm1      2.954 ppm2      0.897 CV     1
 ASSI { 4365}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
      4.900     3.000     1.100 peak  4365 spectrum    1 weight  0.10000E+01 volume  0.45742E-03 ppm1      2.964 ppm2      1.827 CV     1
 ASSI { 4316}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.700     1.700     1.700 peak  4316 spectrum    1 weight  0.10000E+01 volume  0.10255E-02 ppm1      1.843 ppm2      3.024 CV     1
 ASSI { 4371}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      2.600     0.800     0.800 peak  4371 spectrum    1 weight  0.10000E+01 volume  0.52760E-02 ppm1      1.645 ppm2      4.277 CV     1
 ASSI { 4410}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 75   and name HA  ))
      4.900     3.000     1.100 peak  4410 spectrum    1 weight  0.10000E+01 volume  0.30325E-03 ppm1      1.261 ppm2      3.880 CV     1
 ASSI { 4416}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 49   and name HB%))
      4.200     2.200     1.800 peak  4416 spectrum    1 weight  0.10000E+01 volume  0.26002E-03 ppm1      2.464 ppm2      1.466 CV     1
 ASSI { 4418}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 78   and name HD1%)
      4.200     2.300     1.800 peak  4418 spectrum    1 weight  0.10000E+01 volume  0.26427E-03 ppm1      2.474 ppm2      0.810 CV     1
 ASSI { 4419}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
      4.100     2.100     1.900 peak  4419 spectrum    1 weight  0.10000E+01 volume  0.79215E-03 ppm1      2.360 ppm2      0.937 CV     1
 ASSI { 4421}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 78   and name HD1%)
      4.800     2.900     1.200 peak  4421 spectrum    1 weight  0.10000E+01 volume  0.42763E-03 ppm1      2.359 ppm2      0.817 CV     1
 ASSI { 4426}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.000     1.100     1.100 peak  4426 spectrum    1 weight  0.10000E+01 volume  0.22199E-02 ppm1      2.266 ppm2      1.129 CV     1
 ASSI { 4430}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HG1  ))
      3.300     3.300     2.700 peak  4430 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      2.023 ppm2      8.145 CV     1
 ASSI { 4432}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.600     1.600 peak  4432 spectrum    1 weight  0.10000E+01 volume  0.89510E-03 ppm1      1.835 ppm2      7.590 CV     1
 ASSI { 4441}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak  4441 spectrum    1 weight  0.10000E+01 volume  0.39605E-03 ppm1      2.923 ppm2      3.314 CV     1
 ASSI { 4461}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak  4461 spectrum    1 weight  0.10000E+01 volume  0.21084E-02 ppm1      3.084 ppm2      8.872 CV     1
 ASSI { 4463}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak  4463 spectrum    1 weight  0.10000E+01 volume  0.17339E-02 ppm1      2.770 ppm2      8.872 CV     1
 ASSI { 4664}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak  4664 spectrum    1 weight  0.10000E+01 volume  0.35261E-02 ppm1      7.306 ppm2      8.049 CV     1
 ASSI { 4480}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      4.800     2.900     1.200 peak  4480 spectrum    1 weight  0.10000E+01 volume  0.25142E-03 ppm1      0.871 ppm2      8.404 CV     1
 ASSI { 4489}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HA2 ))
      5.000     3.100     1.000 peak  4489 spectrum    1 weight  0.10000E+01 volume  0.25777E-03 ppm1      0.864 ppm2      4.008 CV     1
 OR { 4489}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HA1 ))
 ASSI { 4490}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
      5.100     3.200     0.900 peak  4490 spectrum    1 weight  0.10000E+01 volume  0.19512E-03 ppm1      0.987 ppm2      4.461 CV     1
 ASSI { 4491}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H5A ))
      4.300     2.300     1.700 peak  4491 spectrum    1 weight  0.10000E+01 volume  0.46441E-03 ppm1      0.987 ppm2      2.896 CV     1
 OR { 4491}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H5B ))
 ASSI { 4493}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 75   and name HG  ))
      4.000     2.000     2.000 peak  4493 spectrum    1 weight  0.10000E+01 volume  0.30435E-03 ppm1      2.774 ppm2      1.704 CV     1
 ASSI { 4499}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 75   and name HG  ))
      4.800     2.800     1.200 peak  4499 spectrum    1 weight  0.10000E+01 volume  0.28463E-03 ppm1      3.084 ppm2      1.688 CV     1
 ASSI { 4500}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 78   and name HB  ))
      6.000     4.500     0.000 peak  4500 spectrum    1 weight  0.10000E+01 volume  0.26857E-03 ppm1      3.078 ppm2      1.926 CV     1
 ASSI { 4506}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.500     1.500     1.500 peak  4506 spectrum    1 weight  0.10000E+01 volume  0.13651E-02 ppm1      4.372 ppm2      0.876 CV     1
 ASSI { 4508}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      4.200     2.300     1.800 peak  4508 spectrum    1 weight  0.10000E+01 volume  0.46216E-03 ppm1      4.368 ppm2      1.656 CV     1
 ASSI { 4514}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.900     3.000     1.100 peak  4514 spectrum    1 weight  0.10000E+01 volume  0.43056E-03 ppm1      4.203 ppm2      7.899 CV     1
 ASSI { 4540}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 6    and name HB  ))
      4.300     2.300     1.700 peak  4540 spectrum    1 weight  0.10000E+01 volume  0.69722E-03 ppm1      2.702 ppm2      4.848 CV     1
 OR { 4540}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 6    and name HB  ))
 ASSI { 4552}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak  4552 spectrum    1 weight  0.10000E+01 volume  0.37452E-03 ppm1      1.674 ppm2      7.718 CV     1
 ASSI { 4557}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HG2 ))
      1.700     0.400     0.500 peak  4557 spectrum    1 weight  0.10000E+01 volume  0.14321E-01 ppm1      1.915 ppm2      1.681 CV     1
 ASSI { 4559}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
      1.800     0.400     0.400 peak  4559 spectrum    1 weight  0.10000E+01 volume  0.12804E-01 ppm1      2.470 ppm2      2.356 CV     1
 OR { 4559}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 4560}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      1.700     0.400     0.500 peak  4560 spectrum    1 weight  0.10000E+01 volume  0.14431E-01 ppm1      2.328 ppm2      2.193 CV     1
 ASSI { 4566}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  4566 spectrum    1 weight  0.10000E+01 volume  0.19535E-02 ppm1      2.771 ppm2      4.901 CV     1
 ASSI { 4571}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      4.400     2.400     1.600 peak  4571 spectrum    1 weight  0.10000E+01 volume  0.39711E-03 ppm1      0.988 ppm2      7.445 CV     1
 ASSI { 4575}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.600     1.600     1.600 peak  4575 spectrum    1 weight  0.10000E+01 volume  0.82803E-03 ppm1      4.191 ppm2      8.303 CV     1
 ASSI { 4579}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HB1 ))
      4.800     2.900     1.200 peak  4579 spectrum    1 weight  0.10000E+01 volume  0.74747E-03 ppm1      0.932 ppm2      2.450 CV     1
 ASSI { 4581}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      5.200     3.400     0.800 peak  4581 spectrum    1 weight  0.10000E+01 volume  0.36803E-03 ppm1      0.930 ppm2      4.800 CV     1
 ASSI { 4591}
   (  segid "    " and resid 46   and name HG1)
   (( segid "    " and resid 42   and name H28A  ))
      5.200     3.400     0.800 peak  4591 spectrum    1 weight  0.10000E+01 volume  0.36803E-03 ppm1      0.930 ppm2      4.800 CV     1
 OR { 4591}
   (  segid "    " and resid 46   and name HG1)
   (( segid "    " and resid 42   and name H28B  ))
 ASSI { 4582}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      3.100     1.200     1.200 peak  4582 spectrum    1 weight  0.10000E+01 volume  0.30629E-02 ppm1      1.566 ppm2      4.224 CV     1
 ASSI { 4597}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.600     1.600     1.600 peak  4597 spectrum    1 weight  0.10000E+01 volume  0.96262E-03 ppm1      3.861 ppm2      1.120 CV     1
 ASSI { 4601}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.300     1.400     1.400 peak  4601 spectrum    1 weight  0.10000E+01 volume  0.13393E-02 ppm1      6.810 ppm2      4.311 CV     1
 ASSI { 4604}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.500     1.500 peak  4604 spectrum    1 weight  0.10000E+01 volume  0.19943E-02 ppm1      0.884 ppm2      4.902 CV     1
 ASSI { 4606}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      5.200     3.400     0.800 peak  4606 spectrum    1 weight  0.10000E+01 volume  0.33319E-03 ppm1      3.554 ppm2      1.572 CV     1
 ASSI { 4613}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      2.700     0.900     0.900 peak  4613 spectrum    1 weight  0.10000E+01 volume  0.34231E-02 ppm1      0.475 ppm2      1.626 CV     1
 ASSI { 4618}
   (( segid "    " and resid 30   and name HD% ))
   (( segid "    " and resid 31   and name HD1%  ))
      4.500     2.100     1.500 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.51869E-03 ppm1      3.883 ppm2      4.854 CV     1
 ASSI { 4620}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      2.800     1.000     1.000 peak  4620 spectrum    1 weight  0.10000E+01 volume  0.11045E-02 ppm1      2.256 ppm2      7.312 CV     1
 ASSI { 4622}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
      2.200     0.600     0.600 peak  4622 spectrum    1 weight  0.10000E+01 volume  0.87437E-02 ppm1      1.858 ppm2      0.983 CV     1
 OR { 4622}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 4629}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HD1 ))
      4.700     2.800     1.300 peak  4629 spectrum    1 weight  0.10000E+01 volume  0.35592E-03 ppm1      0.785 ppm2      3.489 CV     1
 ASSI { 4639}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HA  ))
      3.900     1.900     1.900 peak  4639 spectrum    1 weight  0.10000E+01 volume  0.72649E-03 ppm1      1.830 ppm2      4.579 CV     1
 ASSI { 4641}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.600     0.800     0.800 peak  4641 spectrum    1 weight  0.10000E+01 volume  0.58503E-02 ppm1      4.199 ppm2      2.392 CV     1
 ASSI { 4648}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.800     1.800     1.800 peak  4648 spectrum    1 weight  0.10000E+01 volume  0.75238E-03 ppm1      2.405 ppm2      6.888 CV     1
 ASSI { 4666}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.600     0.800     0.800 peak  4666 spectrum    1 weight  0.10000E+01 volume  0.22434E-02 ppm1      3.863 ppm2      2.318 CV     1
 ASSI { 4673}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak  4673 spectrum    1 weight  0.10000E+01 volume  0.13143E-02 ppm1      1.122 ppm2      7.648 CV     1
 ASSI { 4698}
   (  segid "    " and resid 65   and name HB%)
   (( segid "    " and resid 42   and name H5A  ))
      3.600     1.600     1.600 peak  4673 spectrum    1 weight  0.10000E+01 volume  0.13143E-02 ppm1      1.122 ppm2      7.648 CV     1
 OR { 4698}
   (  segid "    " and resid 65   and name HB%)
   (( segid "    " and resid 42   and name H5B  ))
 ASSI { 4707}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
      2.600     0.900     0.900 peak  4707 spectrum    1 weight  0.10000E+01 volume  0.28216E-02 ppm1      1.979 ppm2      0.882 CV     1
 ASSI { 4710}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 50   and name HB% )
      5.200     3.400     0.800 peak  4710 spectrum    1 weight  0.10000E+01 volume  0.36671E-03 ppm1      2.351 ppm2      1.642 CV     1
 ASSI { 4712}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 50   and name HB% )
      5.500     3.800     0.500 peak  4712 spectrum    1 weight  0.10000E+01 volume  0.21502E-03 ppm1      2.747 ppm2      1.628 CV     1
 ASSI { 4714}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 79   and name HD21 )
      5.500     3.800     0.500 peak  4712 spectrum    1 weight  0.10000E+01 volume  0.21502E-03 ppm1      2.747 ppm2      1.628 CV     1
 ASSI { 4721}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.200     0.600     0.600 peak  4721 spectrum    1 weight  0.10000E+01 volume  0.55288E-02 ppm1      4.223 ppm2      2.252 CV     1
 OR { 4721}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI { 4724}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HE% )
      3.900     1.900     1.900 peak  4724 spectrum    1 weight  0.10000E+01 volume  0.43475E-03 ppm1      1.875 ppm2      6.808 CV     1
 ASSI { 4725}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 45   and name HD2%)
      4.900     3.000     1.100 peak  4725 spectrum    1 weight  0.10000E+01 volume  0.37712E-03 ppm1      2.960 ppm2      0.349 CV     1
 ASSI { 4728}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
      3.600     1.600     1.600 peak  4728 spectrum    1 weight  0.10000E+01 volume  0.76867E-03 ppm1      2.964 ppm2      0.223 CV     1
 ASSI { 4733}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      3.400     1.400     1.400 peak  4733 spectrum    1 weight  0.10000E+01 volume  0.98253E-03 ppm1      6.963 ppm2      0.734 CV     1
 ASSI { 4743}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
      4.600     2.700     1.400 peak  4743 spectrum    1 weight  0.10000E+01 volume  0.64192E-03 ppm1      7.221 ppm2      3.309 CV     1
 ASSI { 4744}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.500     1.500     1.500 peak  4744 spectrum    1 weight  0.10000E+01 volume  0.66654E-03 ppm1      1.424 ppm2      3.545 CV     1
 ASSI { 4750}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG  ))
      2.900     1.100     1.100 peak  4750 spectrum    1 weight  0.10000E+01 volume  0.23408E-02 ppm1      1.978 ppm2      1.844 CV     1
 ASSI { 4768}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak  4768 spectrum    1 weight  0.10000E+01 volume  0.12141E-02 ppm1      1.036 ppm2      3.324 CV     1
 ASSI { 4774}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak  4774 spectrum    1 weight  0.10000E+01 volume  0.19328E-02 ppm1      1.784 ppm2      4.337 CV     1
 ASSI { 4775}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.000     1.000 peak  4775 spectrum    1 weight  0.10000E+01 volume  0.26293E-02 ppm1      2.360 ppm2      5.048 CV     1
 ASSI { 4788}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.300     0.800     0.800 peak  4789 spectrum    1 weight  0.10000E+01 volume  0.51368E-03 ppm1      3.284 ppm2      4.193 CV     1
 ASSI { 4790}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.800     1.000     1.000 peak  4790 spectrum    1 weight  0.10000E+01 volume  0.18688E-02 ppm1      2.856 ppm2      8.033 CV     1
 ASSI { 4797}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.100     1.200     1.200 peak  4797 spectrum    1 weight  0.10000E+01 volume  0.32946E-02 ppm1      3.552 ppm2      1.199 CV     1
 ASSI { 4798}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      5.700     4.100     0.300 peak  4798 spectrum    1 weight  0.10000E+01 volume  0.16250E-03 ppm1      3.881 ppm2      7.779 CV     1
 ASSI { 4800}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HD22))
      5.000     3.200     1.000 peak  4800 spectrum    1 weight  0.10000E+01 volume  0.18491E-03 ppm1      3.878 ppm2      7.681 CV     1
 ASSI { 4812}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 44   and name HN  ))
      5.100     3.300     0.900 peak  4812 spectrum    1 weight  0.10000E+01 volume  0.29410E-03 ppm1      1.061 ppm2      8.133 CV     1
 ASSI { 4828}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 47   and name HG1 ))
      3.800     1.800     1.800 peak  4828 spectrum    1 weight  0.10000E+01 volume  0.76084E-03 ppm1      1.059 ppm2      2.607 CV     1
 ASSI { 4842}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 5    and name HD1%)
      3.500     1.500     1.500 peak  4842 spectrum    1 weight  0.10000E+01 volume  0.10740E-02 ppm1      1.930 ppm2      0.606 CV     1
 OR { 4842}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 4847}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      4.300     2.400     1.700 peak  4847 spectrum    1 weight  0.10000E+01 volume  0.48805E-03 ppm1      2.679 ppm2      6.809 CV     1
 ASSI { 4850}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      1.800     0.400     0.400 peak  4850 spectrum    1 weight  0.10000E+01 volume  0.13989E-01 ppm1      2.679 ppm2      3.030 CV     1
 ASSI { 4852}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
      3.000     1.100     1.100 peak  4852 spectrum    1 weight  0.10000E+01 volume  0.22404E-02 ppm1      2.680 ppm2      0.631 CV     1
 OR { 4852}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 4853}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      3.300     1.400     1.400 peak  4853 spectrum    1 weight  0.10000E+01 volume  0.19108E-02 ppm1      3.030 ppm2      0.632 CV     1
 OR { 4853}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 4857}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak  4857 spectrum    1 weight  0.10000E+01 volume  0.16853E-02 ppm1      2.677 ppm2      8.043 CV     1
 ASSI { 4860}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak  4860 spectrum    1 weight  0.10000E+01 volume  0.76856E-02 ppm1      2.705 ppm2      4.615 CV     1
 OR { 4860}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 4869}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HB  ))
      5.400     3.600     0.600 peak  4869 spectrum    1 weight  0.10000E+01 volume  0.13655E-03 ppm1      4.224 ppm2      4.576 CV     1
 ASSI { 4874}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 20   and name HB1 ))
      4.100     2.100     1.900 peak  4874 spectrum    1 weight  0.10000E+01 volume  0.61625E-03 ppm1      4.061 ppm2      2.240 CV     1
 OR { 4874}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 4881}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 68   and name HN  ))
      5.200     3.400     0.800 peak  4881 spectrum    1 weight  0.10000E+01 volume  0.32694E-03 ppm1      4.025 ppm2      7.540 CV     1
 ASSI { 4900}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 26   and name HD2%)
      3.500     1.500     1.500 peak  4900 spectrum    1 weight  0.10000E+01 volume  0.21723E-02 ppm1      1.254 ppm2      0.796 CV     1
 ASSI { 4902}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      1.700     0.300     0.500 peak  4902 spectrum    1 weight  0.10000E+01 volume  0.14757E-01 ppm1      1.461 ppm2      1.253 CV     1
 ASSI { 4903}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      2.700     0.900     0.900 peak  4903 spectrum    1 weight  0.10000E+01 volume  0.30040E-02 ppm1      4.372 ppm2      0.893 CV     1
 ASSI { 4917}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 20   and name HB2 ))
      4.700     2.800     1.300 peak  4917 spectrum    1 weight  0.10000E+01 volume  0.43036E-03 ppm1      4.065 ppm2      2.068 CV     1
 OR { 4917}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 4926}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
      3.500     1.500     1.500 peak  4926 spectrum    1 weight  0.10000E+01 volume  0.95722E-03 ppm1      5.283 ppm2      6.962 CV     1
 ASSI { 4947}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
      2.700     0.900     0.900 peak  4947 spectrum    1 weight  0.10000E+01 volume  0.34299E-02 ppm1      1.621 ppm2      1.841 CV     1
 ASSI { 4948}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      4.300     1.400     1.400 peak  4948 spectrum    1 weight  0.10000E+01 volume  0.10422E-02 ppm1      0.982 ppm2      9.421 CV     1
 ASSI { 4950}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HN  ))
      4.700     2.700     1.300 peak  4950 spectrum    1 weight  0.10000E+01 volume  0.53335E-03 ppm1      0.937 ppm2      7.762 CV     1
 ASSI { 4951}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      3.800     1.800     1.800 peak  4951 spectrum    1 weight  0.10000E+01 volume  0.73375E-03 ppm1      0.804 ppm2      6.742 CV     1
 ASSI { 4953}
   (  segid "    " and resid 74   and name HG)
   (( segid "    " and resid 35   and name HZ  ))
      3.700     3.700     2.300 peak  4953 spectrum    1 weight  0.10000E+01 volume  0.16257E-02 ppm1      0.932 ppm2      6.884 CV     1
 ASSI { 4980}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      4.600     2.700     1.400 peak  4980 spectrum    1 weight  0.10000E+01 volume  0.77243E-03 ppm1      3.543 ppm2      3.203 CV     1
 OR { 4980}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 4988}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
      5.600     3.900     0.400 peak  4988 spectrum    1 weight  0.10000E+01 volume  0.17156E-03 ppm1      1.050 ppm2      4.795 CV     1
 ASSI { 4991}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
      3.200     1.300     1.300 peak  4991 spectrum    1 weight  0.10000E+01 volume  0.12564E-02 ppm1      3.266 ppm2      0.972 CV     1
 OR { 4991}
   (( segid "    " and resid 67   and name HD2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 5007}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak  5007 spectrum    1 weight  0.10000E+01 volume  0.16202E-02 ppm1      0.839 ppm2      3.743 CV     1
 ASSI { 5009}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      4.600     2.600     1.400 peak  5009 spectrum    1 weight  0.10000E+01 volume  0.28627E-03 ppm1      0.839 ppm2      8.478 CV     1
 ASSI { 5017}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      2.500     2.500     3.500 peak  5017 spectrum    1 weight  0.10000E+01 volume  0.10456E-02 ppm1      1.047 ppm2      3.070 CV     1
 ASSI { 5021}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.500     2.500     1.500 peak  5021 spectrum    1 weight  0.10000E+01 volume  0.29835E-03 ppm1      4.223 ppm2      0.748 CV     1
 ASSI { 5027}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.000     1.100     1.100 peak  5027 spectrum    1 weight  0.10000E+01 volume  0.17883E-02 ppm1      3.345 ppm2      2.191 CV     1
 ASSI { 5028}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
      3.900     1.900     1.900 peak  5028 spectrum    1 weight  0.10000E+01 volume  0.18847E-02 ppm1      1.118 ppm2      2.165 CV     1
 ASSI { 5029}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.000     2.000     2.000 peak  5029 spectrum    1 weight  0.10000E+01 volume  0.36206E-03 ppm1      3.881 ppm2      2.411 CV     1
 ASSI { 5030}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      4.300     2.300     1.700 peak  5030 spectrum    1 weight  0.10000E+01 volume  0.36285E-03 ppm1      0.798 ppm2      3.037 CV     1
 ASSI { 5031}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      3.200     1.300     1.300 peak  5031 spectrum    1 weight  0.10000E+01 volume  0.19351E-02 ppm1      0.801 ppm2      1.981 CV     1
 ASSI { 5033}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      4.100     2.100     1.900 peak  5033 spectrum    1 weight  0.10000E+01 volume  0.47561E-03 ppm1      1.522 ppm2      3.880 CV     1
 ASSI { 5036}
   (  segid "    " and resid 82   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.500     1.600     1.600 peak  5036 spectrum    1 weight  0.10000E+01 volume  0.52691E-03 ppm1      0.981 ppm2      7.431 CV     1
 ASSI { 5039}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      3.400     1.400     1.400 peak  5039 spectrum    1 weight  0.10000E+01 volume  0.12981E-02 ppm1      4.205 ppm2      0.628 CV     1
 OR { 5039}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 5047}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.600     3.600     2.400 peak  5047 spectrum    1 weight  0.10000E+01 volume  0.56605E-03 ppm1      4.453 ppm2      2.279 CV     1
 ASSI { 5053}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      3.700     1.700     1.700 peak  5053 spectrum    1 weight  0.10000E+01 volume  0.48375E-03 ppm1      7.216 ppm2      0.698 CV     1
 ASSI { 5062}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak  5062 spectrum    1 weight  0.10000E+01 volume  0.33026E-02 ppm1      1.036 ppm2      4.726 CV     1
 ASSI { 5070}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.500     0.800     0.800 peak  5070 spectrum    1 weight  0.10000E+01 volume  0.76032E-02 ppm1      4.271 ppm2      2.020 CV     1
 ASSI { 5071}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 30   and name HA  ))
      3.100     1.200     1.200 peak  5071 spectrum    1 weight  0.10000E+01 volume  0.14162E-02 ppm1      1.774 ppm2      4.724 CV     1
 ASSI { 5083}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HD% )
      2.900     1.100     1.100 peak  5083 spectrum    1 weight  0.10000E+01 volume  0.21250E-02 ppm1      2.204 ppm2      7.310 CV     1
 ASSI { 5087}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HB2 ))
      4.800     2.900     1.200 peak  5087 spectrum    1 weight  0.10000E+01 volume  0.47725E-03 ppm1      3.032 ppm2      1.250 CV     1
 ASSI { 5104}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.400     1.400 peak  5104 spectrum    1 weight  0.10000E+01 volume  0.11150E-02 ppm1      1.257 ppm2      8.448 CV     1
 ASSI { 5110}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.400     2.400     1.600 peak  5110 spectrum    1 weight  0.10000E+01 volume  0.57654E-03 ppm1      0.882 ppm2      8.278 CV     1
 ASSI { 5111}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HN  ))
      4.100     2.100     1.900 peak  5111 spectrum    1 weight  0.10000E+01 volume  0.15218E-02 ppm1      1.020 ppm2      8.464 CV     1
 ASSI { 5112}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.600     1.600 peak  5112 spectrum    1 weight  0.10000E+01 volume  0.83567E-03 ppm1      1.032 ppm2      8.377 CV     1
 ASSI { 5114}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak  5114 spectrum    1 weight  0.10000E+01 volume  0.43302E-03 ppm1      0.692 ppm2      3.554 CV     1
 ASSI { 5121}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.800     1.800     1.800 peak  5121 spectrum    1 weight  0.10000E+01 volume  0.78103E-03 ppm1      0.688 ppm2      6.740 CV     1
 ASSI { 5123}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  5123 spectrum    1 weight  0.10000E+01 volume  0.49229E-03 ppm1      0.798 ppm2      7.210 CV     1
 ASSI { 5124}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      3.500     1.500     1.500 peak  5124 spectrum    1 weight  0.10000E+01 volume  0.12522E-02 ppm1      0.696 ppm2      1.981 CV     1
 ASSI { 5129}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      3.700     1.700     1.700 peak  5129 spectrum    1 weight  0.10000E+01 volume  0.59505E-03 ppm1      7.308 ppm2      4.843 CV     1
 ASSI { 5130}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      1.700     0.400     0.500 peak  5130 spectrum    1 weight  0.10000E+01 volume  0.26895E-01 ppm1      2.671 ppm2      2.893 CV     1
 ASSI { 5133}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      4.900     3.000     1.100 peak  5133 spectrum    1 weight  0.10000E+01 volume  0.55164E-03 ppm1      2.827 ppm2      0.340 CV     1
 ASSI { 5139}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HB2 ))
      1.600     0.300     0.600 peak  5139 spectrum    1 weight  0.10000E+01 volume  0.28528E-01 ppm1      2.236 ppm2      2.083 CV     1
 ASSI { 5146}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.900     0.900 peak  5146 spectrum    1 weight  0.10000E+01 volume  0.37276E-02 ppm1      2.871 ppm2      4.715 CV     1
 ASSI { 5151}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak  5151 spectrum    1 weight  0.10000E+01 volume  0.43699E-02 ppm1      4.552 ppm2      7.812 CV     1
 ASSI { 5153}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      3.900     1.900     1.900 peak  5153 spectrum    1 weight  0.10000E+01 volume  0.29879E-03 ppm1      0.802 ppm2      3.294 CV     1
 ASSI { 5158}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      3.100     1.200     1.200 peak  5158 spectrum    1 weight  0.10000E+01 volume  0.18879E-02 ppm1      4.279 ppm2      8.665 CV     1
 ASSI { 5159}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.700     1.700     1.700 peak  5159 spectrum    1 weight  0.10000E+01 volume  0.15796E-02 ppm1      1.564 ppm2      7.966 CV     1
 ASSI { 5162}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.500     0.800     0.800 peak  5162 spectrum    1 weight  0.10000E+01 volume  0.68144E-02 ppm1      4.358 ppm2      2.212 CV     1
 ASSI { 5163}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak  5163 spectrum    1 weight  0.10000E+01 volume  0.65202E-02 ppm1      4.358 ppm2      2.148 CV     1
 ASSI { 5171}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.500     1.500     1.500 peak  5171 spectrum    1 weight  0.10000E+01 volume  0.65523E-03 ppm1      3.615 ppm2      7.822 CV     1
 ASSI { 5172}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HD1%  ))
      3.000     1.500     1.500 peak  5172 spectrum    1 weight  0.10000E+01 volume  0.65523E-03 ppm1      3.615 ppm2      7.822 CV     1
 ASSI { 5174}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 26   and name HD2%)
      3.800     1.800     1.800 peak  5174 spectrum    1 weight  0.10000E+01 volume  0.34666E-03 ppm1      3.300 ppm2      0.796 CV     1
 ASSI { 5176}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HG  ))
      4.200     2.200     1.800 peak  5176 spectrum    1 weight  0.10000E+01 volume  0.59955E-03 ppm1      3.307 ppm2      1.778 CV     1
 OR { 5176}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 5177}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      4.600     2.700     1.400 peak  5177 spectrum    1 weight  0.10000E+01 volume  0.58585E-03 ppm1      3.307 ppm2      7.206 CV     1
 ASSI { 5181}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
      3.600     1.600     1.600 peak  5181 spectrum    1 weight  0.10000E+01 volume  0.44283E-03 ppm1      3.032 ppm2      1.787 CV     1
 OR { 5181}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 5183}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      4.600     2.700     1.400 peak  5183 spectrum    1 weight  0.10000E+01 volume  0.30555E-03 ppm1      3.303 ppm2      7.529 CV     1
 ASSI { 5182}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HE%  ))
      4.500     2.600     1.500 peak  5182 spectrum    1 weight  0.10000E+01 volume  0.38320E-03 ppm1      3.034 ppm2      7.207 CV     1
 ASSI { 5183}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak  5183 spectrum    1 weight  0.10000E+01 volume  0.30681E-03 ppm1      3.039 ppm2      7.518 CV     1
 ASSI { 5184}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak  5184 spectrum    1 weight  0.10000E+01 volume  0.30681E-03 ppm1      3.039 ppm2      7.518 CV     1
 ASSI { 5190}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.500     1.500     1.500 peak  5190 spectrum    1 weight  0.10000E+01 volume  0.10228E-02 ppm1      0.791 ppm2      7.319 CV     1
 ASSI { 5195}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.100     3.100     2.900 peak  5195 spectrum    1 weight  0.10000E+01 volume  0.16141E-02 ppm1      0.643 ppm2      2.678 CV     1
 ASSI { 5196}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HB1 ))
      4.500     2.500     1.500 peak  5196 spectrum    1 weight  0.10000E+01 volume  0.20752E-02 ppm1      1.043 ppm2      1.867 CV     1
 ASSI { 5203}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
      4.300     2.300     1.700 peak  5203 spectrum    1 weight  0.10000E+01 volume  0.52431E-03 ppm1      0.476 ppm2      4.308 CV     1
 ASSI { 5206}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.600     0.800     0.800 peak  5206 spectrum    1 weight  0.10000E+01 volume  0.82315E-02 ppm1      4.203 ppm2      4.322 CV     1
 ASSI { 5217}
   (( segid "    " and resid 34   and name HD1 ))
   (  segid "    " and resid 70   and name HG2%)
      4.100     2.100     1.900 peak  5217 spectrum    1 weight  0.10000E+01 volume  0.56068E-03 ppm1      3.427 ppm2      1.044 CV     1
 ASSI { 5218}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HD2 ))
      1.400     0.300     0.800 peak  5218 spectrum    1 weight  0.10000E+01 volume  0.34458E-01 ppm1      3.430 ppm2      3.324 CV     1
 ASSI { 5220}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak  5220 spectrum    1 weight  0.10000E+01 volume  0.57744E-03 ppm1      3.342 ppm2      8.443 CV     1
 ASSI { 5221}
   (( segid "    " and resid 34   and name HD2 ))
   (  segid "    " and resid 70   and name HG2%)
      4.100     2.100     1.900 peak  5221 spectrum    1 weight  0.10000E+01 volume  0.44784E-03 ppm1      3.355 ppm2      1.037 CV     1
 ASSI { 5222}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HA  ))
      5.300     3.500     0.700 peak  5222 spectrum    1 weight  0.10000E+01 volume  0.34935E-03 ppm1      3.367 ppm2      4.041 CV     1
 ASSI { 5224}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG2 ))
      3.000     1.100     1.100 peak  5224 spectrum    1 weight  0.10000E+01 volume  0.33357E-02 ppm1      3.352 ppm2      1.628 CV     1
 ASSI { 5226}
   (( segid "    " and resid 34   and name HG2 ))
   (  segid "    " and resid 70   and name HG2%)
      3.300     1.400     1.400 peak  5226 spectrum    1 weight  0.10000E+01 volume  0.13781E-02 ppm1      1.623 ppm2      1.045 CV     1
 ASSI { 5231}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
      4.300     2.300     1.700 peak  5231 spectrum    1 weight  0.10000E+01 volume  0.49933E-03 ppm1      4.128 ppm2      1.104 CV     1
 ASSI { 5232}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 48   and name HG2%)
      4.400     2.400     1.600 peak  5232 spectrum    1 weight  0.10000E+01 volume  0.41889E-03 ppm1      4.040 ppm2      1.104 CV     1
 ASSI { 5235}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      1.700     0.300     0.500 peak  5235 spectrum    1 weight  0.10000E+01 volume  0.19226E-01 ppm1      4.131 ppm2      4.047 CV     1
 ASSI { 5236}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 40   and name HE% )
      3.900     1.900     1.900 peak  5236 spectrum    1 weight  0.10000E+01 volume  0.34710E-03 ppm1      4.127 ppm2      6.743 CV     1
 ASSI { 5237}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      4.100     2.100     1.900 peak  5237 spectrum    1 weight  0.10000E+01 volume  0.37704E-03 ppm1      4.039 ppm2      6.744 CV     1
 ASSI { 5260}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.000     1.100     1.100 peak  5260 spectrum    1 weight  0.10000E+01 volume  0.14797E-02 ppm1      2.680 ppm2      9.048 CV     1
 ASSI { 5253}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      3.500     1.500     1.500 peak  5253 spectrum    1 weight  0.10000E+01 volume  0.16583E-02 ppm1      1.040 ppm2      0.790 CV     1
 ASSI { 5262}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak  5262 spectrum    1 weight  0.10000E+01 volume  0.16435E-02 ppm1      4.425 ppm2      2.269 CV     1
 ASSI { 5263}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.400     1.400     1.400 peak  5263 spectrum    1 weight  0.10000E+01 volume  0.10153E-02 ppm1      4.430 ppm2      2.483 CV     1
 ASSI { 5264}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.200     1.200     1.200 peak  5264 spectrum    1 weight  0.10000E+01 volume  0.11152E-02 ppm1      2.383 ppm2      2.266 CV     1
 ASSI { 5265}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      4.600     2.600     1.400 peak  5265 spectrum    1 weight  0.10000E+01 volume  0.57142E-03 ppm1      4.431 ppm2      7.641 CV     1
 ASSI { 5273}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      4.600     2.600     1.400 peak  5273 spectrum    1 weight  0.10000E+01 volume  0.18290E-03 ppm1      5.283 ppm2      7.562 CV     1
 ASSI { 5274}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HB1 ))
      1.700     0.400     0.500 peak  5274 spectrum    1 weight  0.10000E+01 volume  0.22013E-01 ppm1      2.853 ppm2      2.984 CV     1
 ASSI { 5276}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      3.600     2.000     2.000 peak  5276 spectrum    1 weight  0.10000E+01 volume  0.87125E-03 ppm1      2.979 ppm2      7.455 CV     1
 ASSI { 5289}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD1 ))
      2.900     1.100     1.100 peak  5289 spectrum    1 weight  0.10000E+01 volume  0.13801E-02 ppm1      6.808 ppm2      3.079 CV     1
 ASSI { 5291}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.200     1.300     1.300 peak  5291 spectrum    1 weight  0.10000E+01 volume  0.70242E-02 ppm1      4.359 ppm2      0.885 CV     1
 ASSI { 5295}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.800     1.000     1.000 peak  5295 spectrum    1 weight  0.10000E+01 volume  0.16565E-02 ppm1      4.375 ppm2      2.125 CV     1
 ASSI { 5296}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB1 ))
      1.500     0.300     0.700 peak  5296 spectrum    1 weight  0.10000E+01 volume  0.42582E-01 ppm1      3.972 ppm2      4.036 CV     1
 ASSI { 5300}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak  5300 spectrum    1 weight  0.10000E+01 volume  0.46712E-02 ppm1      1.407 ppm2      4.795 CV     1
 ASSI { 5302}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 3    and name HG2% ))
      3.700     1.700     1.700 peak  5302 spectrum    1 weight  0.10000E+01 volume  0.15889E-02 ppm1      4.360 ppm2      1.371 CV     1
 ASSI { 5304}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak  5304 spectrum    1 weight  0.10000E+01 volume  0.31035E-02 ppm1      1.479 ppm2      4.361 CV     1
 ASSI { 5309}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      4.700     2.800     1.300 peak  5309 spectrum    1 weight  0.10000E+01 volume  0.65679E-03 ppm1      3.305 ppm2      4.034 CV     1
 ASSI { 5319}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 47   and name HG2 ))
      4.800     2.900     1.200 peak  5319 spectrum    1 weight  0.10000E+01 volume  0.15725E-03 ppm1      1.006 ppm2      2.451 CV     1
 ASSI { 5320}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      2.600     0.900     0.900 peak  5320 spectrum    1 weight  0.10000E+01 volume  0.29038E-02 ppm1      3.883 ppm2      1.380 CV     1
 ASSI { 5324}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak  5324 spectrum    1 weight  0.10000E+01 volume  0.61494E-02 ppm1      4.117 ppm2      2.363 CV     1
 OR { 5324}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 5325}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
      3.900     1.900     1.900 peak  5325 spectrum    1 weight  0.10000E+01 volume  0.21064E-02 ppm1      2.327 ppm2      4.306 CV     1
 ASSI { 5328}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      6.000     4.500     0.000 peak  5328 spectrum    1 weight  0.10000E+01 volume  0.11114E-03 ppm1      2.474 ppm2      4.387 CV     1
 ASSI { 5330}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 44   and name HA  ))
      4.200     2.200     1.800 peak  5330 spectrum    1 weight  0.10000E+01 volume  0.61036E-03 ppm1      2.451 ppm2      4.303 CV     1
 ASSI { 5331}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 43   and name HD2%)
      3.900     1.900     1.900 peak  5331 spectrum    1 weight  0.10000E+01 volume  0.57892E-03 ppm1      2.454 ppm2      1.067 CV     1
 ASSI { 5335}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 43   and name HD2%)
      3.800     1.800     1.800 peak  5335 spectrum    1 weight  0.10000E+01 volume  0.65668E-03 ppm1      2.427 ppm2      1.029 CV     1
 OR { 5335}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 5338}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      4.100     2.100     1.900 peak  5338 spectrum    1 weight  0.10000E+01 volume  0.79658E-03 ppm1      0.839 ppm2      8.237 CV     1
 ASSI { 5339}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.400     0.700     0.700 peak  5339 spectrum    1 weight  0.10000E+01 volume  0.89255E-02 ppm1      2.144 ppm2      2.505 CV     1
 OR { 5339}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 5336}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HB2 ))
      2.400     0.700     0.700 peak  5336 spectrum    1 weight  0.10000E+01 volume  0.10412E-01 ppm1      2.507 ppm2      2.159 CV     1
 ASSI { 5353}
   (( segid "    " and resid 81   and name HB%  ))
   (  segid "    " and resid 78   and name HG2%)
      4.100     2.100     1.900 peak  5353 spectrum    1 weight  0.10000E+01 volume  0.79658E-03 ppm1      1.628 ppm2      0.858 CV     1
 ASSI { 5354}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 80   and name HA1)
      3.600     2.100     2.300 peak  5354 spectrum    1 weight  0.10000E+01 volume  0.79658E-03 ppm1      4.452 ppm2      4.022 CV     1
 ASSI { 5360}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      5.100     2.100     0.900 peak  5360 spectrum    1 weight  0.10000E+01 volume  0.79658E-03 ppm1      4.284 ppm2      0.886 CV     1
 ASSI { 5357}
   (( segid "    " and resid 83   and name HB%  ))
   (  segid "    " and resid 4    and name HD1%)
      4.100     2.100     1.900 peak  5357 spectrum    1 weight  0.10000E+01 volume  0.79658E-03 ppm1      4.284 ppm2      0.876 CV     1
 ASSI { 5359}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
      4.100     2.100     1.900 peak  5359 spectrum    1 weight  0.10000E+01 volume  0.79658E-03 ppm1      4.284 ppm2      0.967 CV     1
OR {  5359}
   (  segid "    " and resid 83   and name HA)
   (( segid "    " and resid 82   and name HD1%))
 ASSI { 5358}
   (( segid "    " and resid 83   and name HB%  ))
   (  segid "    " and resid 82   and name HD2%)
      4.100     2.100     1.900 peak  5359 spectrum    1 weight  0.10000E+01 volume  0.79658E-03 ppm1      1.600 ppm2      0.967 CV     1
OR { 5358}
   (  segid "    " and resid 83   and name HB%)
   (( segid "    " and resid 82   and name HD1%))
 ASSI { 5361}
   (( segid "    " and resid 83   and name HB%  ))
   (( segid "    " and resid 79   and name HA  ))
      4.500     1.900     1.500 peak  5361 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      1.600 ppm2      4.912 CV     1
 ASSI { 5363}
   (( segid "    " and resid 32   and name HB1  ))
   (( segid "    " and resid 31   and name HB2  ))
      5.500     1.900     0.500 peak  5363 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      1.602 ppm2      7.845 CV     1
 ASSI { 5366}
   (( segid "    " and resid 32   and name HB2  ))
   (( segid "    " and resid 31   and name HB2  ))
      5.500     1.900     0.500 peak  5366 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      1.602 ppm2      7.845 CV     1
 ASSI { 5369}
   (( segid "    " and resid 72   and name HG2  ))
   (( segid "    " and resid 72   and name HD1  ))
      3.300     1.900     0.500 peak  5369 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      1.602 ppm2      7.845 CV     1
 ASSI { 5370}
   (( segid "    " and resid 38   and name HD1%  ))
   (( segid "    " and resid 35   and name HD%  ))
      3.300     1.900     1.500 peak  5370 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      0.894 ppm2      7.177 CV     1
 ASSI { 5371}
   (( segid "    " and resid 38   and name HD1%  ))
   (( segid "    " and resid 40   and name HD%  ))
      3.300     1.900     1.500 peak  5371 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      0.894 ppm2      6.974 CV     1
 ASSI { 5373}
   (( segid "    " and resid 38   and name HD1%  ))
   (( segid "    " and resid 38   and name HN  ))
      3.300     1.900     1.500 peak  5371 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      0.894 ppm2      7.708 CV     1
 ASSI { 5371}
   (( segid "    " and resid 38   and name HD1%  ))
   (( segid "    " and resid 40   and name HD%  ))
      3.300     1.900     1.500 peak  5371 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      0.894 ppm2      6.974 CV     1
 ASSI { 5372}
   (( segid "    " and resid 38   and name HD1%  ))
   (( segid "    " and resid 40   and name HE%  ))
      3.300     1.900     1.500 peak  5372 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      0.894 ppm2      6.741 CV     1
 ASSI { 5377}
   (( segid "    " and resid 38   and name HD1%  ))
   (( segid "    " and resid 40   and name HE%  ))
      3.300     1.900     1.500 peak  5372 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      1.001 ppm2      1.658 CV     1
 ASSI { 5380}
   (( segid "    " and resid 74   and name HD2%  ))
   (( segid "    " and resid 74   and name HB2  ))
      3.300     1.900     1.500 peak  5380 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      1.116 ppm2      4.201 CV     1
 ASSI { 5384}
   (( segid "    " and resid 45  and name HB1 ))
   (( segid "    " and resid 42  and name HA  ))
      3.300      0.900     0.900 peak  5384 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.041 ppm2      8.033 CV     1
 ASSI { 5385}
   (( segid "    " and resid 45  and name HB2 ))
   (( segid "    " and resid 42  and name HA  ))
      3.300      0.900     0.900 peak  5385 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.041 ppm2      8.033 CV     1
 ASSI { 5387}
   (( segid "    " and resid 45  and name HB2 ))
   (( segid "    " and resid 40  and name HD%  ))
      2.800      0.900     0.900 peak  5387 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.041 ppm2      8.033 CV     1
 ASSI { 5388}
   (( segid "    " and resid 45  and name HB2 ))
   (( segid "    " and resid 46  and name HN  ))
      3.500      1.900     1.900 peak  5388 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.041 ppm2      8.033 CV     1
 ASSI { 5389}
   (( segid "    " and resid 5   and name HD2% ))
   (( segid "    " and resid 75  and name HA  ))
      4.100      1.900     1.900 peak  5389 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.041 ppm2      8.033 CV     1
 ASSI { 5395}
   (( segid "    " and resid 45  and name HD1% ))
   (( segid "    " and resid 44  and name HB%  ))
      5.200      1.900     0.800 peak  5395 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      0.224 ppm2      1.523 CV     1
 ASSI { 5394}
   (( segid "    " and resid 45  and name HD2% ))
   (( segid "    " and resid 44  and name HB%  ))
      5.200      1.900     0.800 peak  5394 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      0.340 ppm2      1.520 CV     1
 ASSI { 5391}
   (( segid "    " and resid 45  and name HD1% ))
   (( segid "    " and resid 65  and name HB%  ))
      4.800      1.900     1.200 peak  5391 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      0.348 ppm2      1.338 CV     1
 ASSI { 5393}
   (( segid "    " and resid 45  and name HD1% ))
   (( segid "    " and resid 65  and name HB%  ))
      4.800      1.900     1.200 peak  5394 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      0.217 ppm2      1.338 CV     1
 ASSI { 5396}
   (( segid "    " and resid 74  and name HB1 ))
   (( segid "    " and resid 74  and name HA  ))
      2.800      1.900     1.200 peak  5394 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      2.400 ppm2      4.271 CV     1
 ASSI { 5396}
   (( segid "    " and resid 82  and name HD2% ))
   (( segid "    " and resid 82  and name HG  ))
      2.800      1.900     1.200 peak  5396 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      0.979 ppm2      1.859 CV     1
 ASSI { 5400}
   (( segid "    " and resid 33  and name HD2% ))
   (( segid "    " and resid 33  and name HB2  ))
      2.800      1.900     1.200 peak  5400 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.052 ppm2      1.414 CV     1
 ASSI { 5404}
   (( segid "    " and resid 10  and name HD2% ))
   (( segid "    " and resid 31  and name HD1%  ))
      3.800      1.900     2.200 peak  5400 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.116 ppm2      0.470  CV    1
 ASSI { 5408}
   (( segid "    " and resid 10  and name HD2% ))
   (( segid "    " and resid 71  and name HB2  ))
      3.800      1.900     1.200 peak  5408 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.118 ppm2      2.022   CV   1
 ASSI { 5414}
   (( segid "    " and resid 74  and name HD2% ))
   (( segid "    " and resid 45  and name HD2%  ))
      3.200      1.900     1.200 peak  5414 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.105 ppm2      0.337   CV    1
 OR { 5414}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 45   and name HD2%))
 ASSI { 5415}
   (( segid "    " and resid 74  and name HD2% ))
   (( segid "    " and resid 45  and name HD1%  ))
      3.200      1.900     1.200 peak  5415 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.105 ppm2      0.240    CV   1
 OR { 5416}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 45   and name HD1%))
 ASSI { 5416}
   (( segid "    " and resid 74  and name HD1% ))
   (( segid "    " and resid 49  and name HB%  ))
      3.200      1.900     1.200 peak  5416 spectrum    1 weight  0.10000E+01 volume  0.69094E-03 ppm1      1.014 ppm2      1.453     CV   1
 OR { 5416}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 49   and name HB%))
 ASSI { 5419}
   (( segid "    " and resid 74   and name HG ))
   (  segid "    " and resid 74   and name HB2 )
      3.100     1.200     1.200 peak  5419 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      2.042 ppm2      7.214 CV     1
 ASSI { 5418}
   (( segid "    " and resid 74   and name HA ))
   (  segid "    " and resid 74   and name HG )
      3.100     1.200     1.200 peak  5418 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      2.042 ppm2      7.214 CV     1
 ASSI { 5421}
   (( segid "    " and resid 74   and name HG ))
   (  segid "    " and resid 45   and name HD1% )
      5.200     1.200     0.800 peak  5421 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      2.042 ppm2      7.214 CV     1
 ASSI { 5420}
   (( segid "    " and resid 74   and name HG ))
   (  segid "    " and resid 45   and name HD1% )
      4.800     1.200     1.200 peak  5420 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      2.042 ppm2      7.214 CV     1
 ASSI { 5422}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      5.200     3.300     0.800 peak  5422 spectrum    1 weight  0.10000E+01 volume  0.57791E-03 ppm1      1.856 ppm2      0.472 CV     1
 ASSI { 5428}
   (( segid "    " and resid 86   and name HA ))
   (  segid "    " and resid 86   and name HB%)
      2.800     0.900     0.800 peak  5428 spectrum    1 weight  0.10000E+01 volume  0.57791E-03 ppm1      1.856 ppm2      0.472 CV     1
 ASSI { 5432}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  5432 spectrum    1 weight  0.10000E+01 volume  0.49229E-03 ppm1      0.798 ppm2      7.210 CV     1
 ASSI { 5434}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     0.800     0.800 peak  5434 spectrum    1 weight  0.10000E+01 volume  0.20415E-03 ppm1      2.013 ppm2      6.904 CV     1
 ASSI { 5435}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      5.800     4.200     0.200 peak  5435 spectrum    1 weight  0.10000E+01 volume  0.20415E-03 ppm1      2.013 ppm2      6.904 CV     1
 ASSI { 5436}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      4.100     2.100     1.900 peak  5436 spectrum    1 weight  0.10000E+01 volume  0.52617E-03 ppm1      2.257 ppm2      0.787 CV     1
 ASSI { 5437}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
      3.400     1.400     1.400 peak  5437 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 ASSI { 5438}
   (( segid "    " and resid 71   and name HA ))
   (  segid "    " and resid 10   and name HD2%)
      3.700     1.400     1.400 peak  5438 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 ASSI { 5439}
   (( segid "    " and resid 58   and name HG2% ))
   (  segid "    " and resid 82   and name HA)
      4.800     3.400     1.200 peak  5439 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 ASSI { 5445}
   (( segid "    " and resid 52   and name HA ))
   (  segid "    " and resid 52   and name HD1%)
      2.800     1.400     1.200 peak  5445 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 ASSI { 5446}
   (( segid "    " and resid 60   and name HA ))
   (  segid "    " and resid 60   and name HD1%)
      4.800     3.400     1.200 peak  5446 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 ASSI { 5447}
   (( segid "    " and resid 45   and name HD2% ))
   (  segid "    " and resid 74   and name HG)
      4.000     3.400     1.200 peak  5447 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 ASSI { 5448}
   (( segid "    " and resid 45   and name HD2% ))
   (  segid "    " and resid 74   and name HD1%)
      4.000     3.400     1.200 peak  5448 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 OR { 5448}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HD2%))
 ASSI { 5451}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     0.700     0.700 peak  5451 spectrum    1 weight  0.10000E+01 volume  0.63627E-02 ppm1      2.021 ppm2      8.015 CV     1
 OR { 5451}
   (  segid "    " and resid 11   and name HB1)
   (( segid "    " and resid 12   and name HN))
 ASSI { 5452}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     3.300     2.700 peak  5452 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      2.023 ppm2      8.145 CV     1
 ASSI { 5453}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD2  ))
      3.300     3.300     2.700 peak  5453 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      2.023 ppm2      8.145 CV     1
 ASSI { 5454}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HD2  ))
      3.300     3.300     2.700 peak  5454 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      2.023 ppm2      8.145 CV     1
 ASSI { 5455}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HD1  ))
      3.300     3.300     2.700 peak  5455 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      2.023 ppm2      8.145 CV     1
 ASSI { 5462}
   (( segid "    " and resid 35   and name HA ))
   (( segid "    " and resid 35   and name HZ  ))
      3.800     3.300     2.200 peak  5462 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      2.023 ppm2      8.145 CV     1
 ASSI { 5463}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name H5A ))
      2.800     1.200     1.200 peak  5463 spectrum    1 weight  0.10000E+01 volume  0.90398E-03 ppm1      1.338 ppm2      2.781 CV     1
 OR { 5463}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name H5B ))
 ASSI { 5465}
   (  segid "    " and resid 51   and name HD2 )
   (( segid "    " and resid 51   and name HA ))
      2.800     1.200     1.200 peak  5465 spectrum    1 weight  0.10000E+01 volume  0.90398E-03 ppm1      1.338 ppm2      2.781 CV     1
 ASSI { 5466}
   (  segid "    " and resid 51   and name HD1 )
   (( segid "    " and resid 51   and name HA ))
      2.800     1.200     1.200 peak  5468 spectrum    1 weight  0.10000E+01 volume  0.90398E-03 ppm1      1.338 ppm2      2.781 CV     1
 ASSI { 5467}
   (  segid "    " and resid 67   and name HD1 )
   (( segid "    " and resid 67   and name HG1 ))
      2.800     1.200     1.200 peak  5467 spectrum    1 weight  0.10000E+01 volume  0.90398E-03 ppm1      1.338 ppm2      2.781 CV     1
 ASSI { 5468}
   (  segid "    " and resid 51   and name HD2 )
   (( segid "    " and resid 51   and name HG2 ))
      2.800     1.200     1.200 peak  5468 spectrum    1 weight  0.10000E+01 volume  0.90398E-03 ppm1      1.338 ppm2      2.781 CV     1
 ASSI { 5469}
   (  segid "    " and resid 51   and name HD2 )
   (( segid "    " and resid 52   and name HN ))
      4.800     1.200     1.200 peak  5469 spectrum    1 weight  0.10000E+01 volume  0.90398E-03 ppm1      1.338 ppm2      2.781 CV     1
 ASSI { 5472}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HA ))
      4.200     1.300     1.300 peak  5472 spectrum    1 weight  0.10000E+01 volume  0.19196E-02 ppm1      3.350 ppm2      1.840 CV     1
 ASSI { 5473}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HA ))
      4.200     1.300     1.300 peak  5473 spectrum    1 weight  0.10000E+01 volume  0.19196E-02 ppm1      3.350 ppm2      1.840 CV     1
 ASSI { 5475}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  5475 spectrum    1 weight  0.10000E+01 volume  0.19196E-02 ppm1      3.350 ppm2      1.840 CV     1
 ASSI { 5478}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 48   and name HA ))
      4.200     2.600     1.800 peak  5478 spectrum    1 weight  0.10000E+01 volume  0.80770E-03 ppm1      3.283 ppm2      3.933 CV     1
 ASSI { 5481}
   (( segid "    " and resid 13   and name HB% ))
   (( segid "    " and resid 10   and name HA ))
      3.400     2.600     2.600 peak  5478 spectrum    1 weight  0.10000E+01 volume  0.80770E-03 ppm1      3.283 ppm2      3.933 CV     1
 ASSI { 5482}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak  5482 spectrum    1 weight  0.10000E+01 volume  0.60267E-03 ppm1      1.040 ppm2      8.705 CV     1
 ASSI { 5483}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 35   and name HE%  ))
      5.200     2.200     0.800 peak  5483 spectrum    1 weight  0.10000E+01 volume  0.60267E-03 ppm1      1.040 ppm2      8.705 CV     1
 ASSI { 5484}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
      5.200     2.200     0.800 peak  5484 spectrum    1 weight  0.10000E+01 volume  0.60267E-03 ppm1      1.040 ppm2      8.705 CV     1
 ASSI { 5485}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      2.800     0.900    0.900 peak  5485 spectrum    1 weight  0.10000E+01 volume  0.58432E-03 ppm1      1.112 ppm2      8.160 CV     1
 ASSI { 5486}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 53   and name HN  ))
      3.800     2.200    2.200 peak  5486 spectrum    1 weight  0.10000E+01 volume  0.58432E-03 ppm1      1.112 ppm2      8.160 CV     1
 ASSI { 5496}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      4.800     2.200    1.200 peak  5496 spectrum    1 weight  0.10000E+01 volume  0.58432E-03 ppm1      1.112 ppm2      8.160 CV     1
 ASSI { 5497}
   (  segid "    " and resid 81   and name HB%)
   (( segid "    " and resid 58   and name HA  ))
      4.800     2.200    1.200 peak  5496 spectrum    1 weight  0.10000E+01 volume  0.58432E-03 ppm1      1.112 ppm2      8.160 CV     1
 ASSI { 5502}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.000     1.100     1.100 peak  5502 spectrum    1 weight  0.10000E+01 volume  0.20827E-02 ppm1      8.155 ppm2      1.479 CV     1
 ASSI { 5503}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.000     1.100     1.100 peak  5503 spectrum    1 weight  0.10000E+01 volume  0.20827E-02 ppm1      8.155 ppm2      1.479 CV     1
 ASSI { 5504}
   (( segid "    " and resid 4    and name HA ))
   (  segid "    " and resid 79   and name HD22 )
      5.500     3.800     0.500 peak  5504 spectrum    1 weight  0.10000E+01 volume  0.21502E-03 ppm1      2.747 ppm2      1.628 CV     1
 ASSI { 5505}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 79   and name HD22 )
      5.500     3.800     0.500 peak  5505 spectrum    1 weight  0.10000E+01 volume  0.21502E-03 ppm1      2.747 ppm2      1.628 CV     1
 ASSI { 5506}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 79   and name HD22 )
      5.500     3.800     0.500 peak  5506 spectrum    1 weight  0.10000E+01 volume  0.21502E-03 ppm1      2.747 ppm2      1.628 CV     1
 ASSI { 5507}
   (( segid "    " and resid 4    and name HA ))
   (  segid "    " and resid 79   and name HA )
      5.500     3.800     0.500 peak  5507 spectrum    1 weight  0.10000E+01 volume  0.21502E-03 ppm1      2.747 ppm2      1.628 CV     1
 ASSI { 5508}
   (( segid "    " and resid 4    and name HD2% ))
   (  segid "    " and resid 82   and name HB1 )
      3.500     3.800     2.500 peak  5508 spectrum    1 weight  0.10000E+01 volume  0.21502E-03 ppm1      2.747 ppm2      1.628 CV     1
 ASSI { 5510}
   (( segid "    " and resid 5    and name HA ))
   (  segid "    " and resid 75   and name HD1%)
      5.400     2.400     0.600 peak  5510 spectrum    1 weight  0.10000E+01 volume  0.77289E-03 ppm1      1.366 ppm2      0.792 CV     1
 ASSI { 5513}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      4.400     2.400     1.600 peak  5513 spectrum    1 weight  0.10000E+01 volume  0.77289E-03 ppm1      1.366 ppm2      0.792 CV     1   
 ASSI { 5514}
   (  segid "    " and resid 5    and name HA)
   (( segid "    " and resid 9    and name HB2 ))
      3.100     3.100     2.900 peak  5514 spectrum    1 weight  0.10000E+01 volume  0.16141E-02 ppm1      0.643 ppm2      2.678 CV     1
 ASSI { 5515}
   (  segid "    " and resid 5    and name HB1)
   (( segid "    " and resid 9    and name HB2 ))
      4.800     3.100     2.900 peak  5515 spectrum    1 weight  0.10000E+01 volume  0.16141E-02 ppm1      0.643 ppm2      2.678 CV     1
 ASSI { 5518}
   (  segid "    " and resid 5    and name HB1)
   (( segid "    " and resid 9    and name HB1 ))
      4.800     3.100     1.200 peak  5519 spectrum    1 weight  0.10000E+01 volume  0.16141E-02 ppm1      0.643 ppm2      2.678 CV     1
 ASSI { 5521}
   (  segid "    " and resid 5    and name HA)
   (( segid "    " and resid 56   and name HE% ))
      4.800     3.100     1.200 peak  5517 spectrum    1 weight  0.10000E+01 volume  0.16141E-02 ppm1      0.643 ppm2      2.678 CV     1
 ASSI { 5523}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 29   and name HA  ))
      4.100     2.100     1.900 peak  5523 spectrum    1 weight  0.10000E+01 volume  0.51869E-03 ppm1      3.883 ppm2      4.854 CV     1
 ASSI { 5525}
   (  segid "    " and resid 30   and name HZ )
   (( segid "    " and resid 71   and name HB2 ))
      4.000     1.200     1.200 peak  5525 spectrum    1 weight  0.10000E+01 volume  0.15731E-02 ppm1      7.219 ppm2      2.034 CV     1 
 ASSI { 5529}
   (( segid "    " and resid 30   and name HZ ))
   (( segid "    " and resid 10   and name HD2%  ))
      4.100     2.100     1.900 peak  5529 spectrum    1 weight  0.10000E+01 volume  0.51869E-03 ppm1      3.883 ppm2      4.854 CV     1
 ASSI { 5530}
   (( segid "    " and resid 30   and name HZ ))
   (( segid "    " and resid 14   and name HD2%  ))
      5.100     2.100     0.900 peak  5530 spectrum    1 weight  0.10000E+01 volume  0.51869E-03 ppm1      3.883 ppm2      4.854 CV     1
 ASSI { 5533}
   (( segid "    " and resid 11   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  5533 spectrum    1 weight  0.10000E+01 volume  0.56964E-03 ppm1      1.199 ppm2      7.221 CV     1
 ASSI { 5534}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.000     1.000 peak  5534 spectrum    1 weight  0.10000E+01 volume  0.85996E-03 ppm1      3.028 ppm2      3.603 CV     1
 ASSI { 5537}
   (( segid "    " and resid 61   and name HD2  ))
   (( segid "    " and resid 61   and name HB2  ))
      3.800     2.100     1.900 peak  5537 spectrum    1 weight  0.10000E+01 volume  0.45249E-03 ppm1      7.766 ppm2      0.791 CV     1
 ASSI { 5538}
   (( segid "    " and resid 61   and name HD1  ))
   (( segid "    " and resid 60   and name HB   ))
      3.800     2.100     1.900 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.45249E-03 ppm1      7.766 ppm2      0.791 CV     1
 ASSI { 5542}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HG12))
      4.500     2.500     1.500 peak  5542 spectrum    1 weight  0.10000E+01 volume  0.53425E-03 ppm1      3.570 ppm2      1.122 CV     1
 ASSI { 5545}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.600     1.600 peak  5545 spectrum    1 weight  0.10000E+01 volume  0.56753E-03 ppm1      3.553 ppm2      0.700 CV     1
 ASSI { 5551}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      4.300     2.300     1.700 peak  5551 spectrum    1 weight  0.10000E+01 volume  0.59908E-03 ppm1      4.450 ppm2      2.489 CV     1
 ASSI { 5555}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.200     1.900     1.900 peak  5555 spectrum    1 weight  0.10000E+01 volume  0.20721E-02 ppm1      4.360 ppm2      3.039 CV     1
 ASSI { 5556}
   (  segid "    " and resid 26   and name HA)
   (  segid "    " and resid 30   and name HD% )
      3.500     1.100     1.100 peak  5556 spectrum    1 weight  0.10000E+01 volume  0.21993E-02 ppm1      0.690 ppm2      7.310 CV     1
 ASSI { 5561}
   (( segid "    " and resid 71   and name HA ))
   (  segid "    " and resid 10   and name HD1%)
      3.700     1.400     1.400 peak  5561 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1    
 ASSI { 5563}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 31   and name HB2)
      3.700     1.400     1.400 peak  5561 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1  
 ASSI { 5565}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      3.700     1.400     1.400 peak  5565 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1  
 ASSI { 5567}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.700     1.400     1.400 peak  5567 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1 
 ASSI { 5567}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.700     1.400     1.400 peak  5567 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1  
 ASSI { 5574}
   (( segid "    " and resid 45   and name HD1% ))
   (  segid "    " and resid 42   and name H7A)
      3.700     1.400     2.300 peak  5574 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 OR { 5574}
   (( segid "    " and resid 45   and name HD1% ))
   (  segid "    " and resid 42   and name H11A)
 ASSI { 5575}
   (( segid "    " and resid 45   and name HD2% ))
   (  segid "    " and resid 42   and name H7A)
      3.700     1.400     2.300 peak  5575 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 OR { 5575}
   (( segid "    " and resid 45   and name HD2% ))
   (  segid "    " and resid 42   and name H11A)
 ASSI { 5576}
   (( segid "    " and resid 45   and name HD2% ))
   (  segid "    " and resid 42   and name H8A)
      3.700     1.400     2.300 peak  5576 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 OR { 5576}
   (( segid "    " and resid 45   and name HD2% ))
   (  segid "    " and resid 42   and name H10A)
 ASSI { 5577}
   (( segid "    " and resid 45   and name HD1% ))
   (  segid "    " and resid 42   and name H8A)
      3.700     1.400     2.300 peak  5577 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 OR { 5577}
   (( segid "    " and resid 45   and name HD1% ))
   (  segid "    " and resid 42   and name H10A)
 ASSI { 5579}
   (( segid "    " and resid 65   and name HB% ))
   (  segid "    " and resid 42   and name H8A)
      3.700     1.400     2.300 peak  5579 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 OR { 5579}
   (( segid "    " and resid 65   and name HB% ))
   (  segid "    " and resid 42   and name H10A)
 ASSI { 5582}
   (( segid "    " and resid 35   and name HZ ))
   (  segid "    " and resid 71   and name HA)
      3.500     1.400     2.300 peak  5582 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 ASSI { 5585}
   (( segid "    " and resid 49   and name HB% ))
   (  segid "    " and resid 42   and name H7A)
      3.700     1.400     2.300 peak  5585 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 OR { 5585}
   (( segid "    " and resid 49   and name HB% ))
   (  segid "    " and resid 42   and name H11A)
 ASSI { 5586}
   (( segid "    " and resid 49   and name HB% ))
   (  segid "    " and resid 42   and name H8A)
      3.700     1.400     2.300 peak  5586 spectrum    1 weight  0.10000E+01 volume  0.11994E-02 ppm1      2.023 ppm2      1.112 CV     1
 OR { 5586}
   (( segid "    " and resid 49   and name HB% ))
   (  segid "    " and resid 42   and name H10A)
 ASSI { 5574}
   (( segid "    " and resid 49   and name HB%  ))
   (( segid "    " and resid 52   and name HD1%  ))
      3.500     1.500     1.500 peak  5574 spectrum    1 weight  0.10000E+01 volume  0.65523E-03 ppm1      3.615 ppm2      7.822 CV     1
 ASSI { 5575}
   (( segid "    " and resid 49   and name HB%  ))
   (  segid "    " and resid 74   and name HD2%)
      3.500     1.600     1.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.15581E-02 ppm1      4.203 ppm2      0.869 CV     1
 OR { 5575}
   (( segid "    " and resid 49   and name HB%  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 5576}
   (( segid "    " and resid 49   and name HB%  ))
   (  segid "    " and resid 48   and name HG2%)
      4.400     1.400     1.600 peak  5576 spectrum    1 weight  0.10000E+01 volume  0.93736E-03 ppm1      3.918 ppm2      1.118 CV     1
 ASSI { 5587}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 42   and name H8A))
      3.700     0.900     0.900 peak  5587 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 OR { 5587}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 42   and name H10A))
 OR { 5587}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 42   and name H10A))
 OR { 5587}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 42   and name H8A))
 ASSI { 5588}
   (  segid "    " and resid 74   and name HG)
   (( segid "    " and resid 42   and name H8A))
      3.700     0.900     0.900 peak  5587 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 OR { 5588}
   (  segid "    " and resid 74   and name HG)
   (( segid "    " and resid 42   and name H10A))
 ASSI { 5588}
   (  segid "    " and resid 55   and name HB1)
   (( segid "    " and resid 56   and name HE%))
      3.700     0.900     0.900 peak  5587 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5599}
   (  segid "    " and resid 42   and name HB1)
   (( segid "    " and resid 42   and name H31%))
      3.200     2.300     2.300 peak  5599 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5600}
   (  segid "    " and resid 42   and name HB2)
   (( segid "    " and resid 42   and name H31%))
      3.200     2.300     2.300 peak  5600 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5601}
   (  segid "    " and resid 42   and name HB2)
   (( segid "    " and resid 45   and name HB1))
      4.200     1.200     1.200 peak  5622 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5611}
   (  segid "    " and resid 76   and name HA)
   (( segid "    " and resid 76   and name HN))
      2.800     0.800     0.800 peak  5611 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5619}
   (  segid "    " and resid 83   and name HB%)
   (( segid "    " and resid 86   and name HA))
      4.300     1.200     1.200 peak  5619 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5622}
   (  segid "    " and resid 42   and name HB2)
   (( segid "    " and resid 45   and name HD2%))
      4.200     1.200     1.200 peak  5622 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5623}
   (  segid "    " and resid 42   and name HB1)
   (( segid "    " and resid 45   and name HD2%))
      4.800     1.200     1.200 peak  5623 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5625}
   (  segid "    " and resid 42   and name HB1)
   (( segid "    " and resid 42   and name H30%))
      3.800     2.000     2.000 peak  5625 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5630}
   (  segid "    " and resid 42   and name HB1)
   (( segid "    " and resid 45   and name HB1))
      4.200     1.800     1.800 peak  5630 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5632}
   (  segid "    " and resid 42   and name HB1)
   (( segid "    " and resid 42   and name H28A))
      3.500     1.800     1.800 peak  5632 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5632}
   (  segid "    " and resid 42   and name HB2)
   (( segid "    " and resid 42   and name H28A))
      3.500     1.800     1.800 peak  5632 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5636}
   (  segid "    " and resid 68   and name HA)
   (( segid "    " and resid 69   and name HB2))
      5.200     0.800     0.800 peak  5636 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5638}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HD1%))
      3.500     1.000     1.000 peak  5638 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 ASSI { 5639}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HD2%))
      4.500     1.000     1.000 peak  5639 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1










 ASSI {    3}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H42A))
      2.700     0.900     0.900 peak     3 spectrum    1 weight  0.11000E+01 volume  0.68385E-02 ppm1      1.062 ppm2      3.433 CV     1
 OR {    3}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H42B))
 ASSI {    5}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H28B))
      2.400     0.700     0.700 peak     5 spectrum    1 weight  0.11000E+01 volume  0.90932E-02 ppm1      0.948 ppm2      3.907 CV     1
 ASSI {    6}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H28A))
      2.400     0.700     0.700 peak     5 spectrum    1 weight  0.11000E+01 volume  0.90932E-02 ppm1      0.948 ppm2      3.907 CV     1
 ASSI {    8}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H28B))
      2.900     1.000     1.000 peak     8 spectrum    1 weight  0.11000E+01 volume  0.36003E-02 ppm1      1.060 ppm2      3.906 CV     1
 ASSI {    9}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H28A))
      2.900     1.100     1.100 peak     9 spectrum    1 weight  0.11000E+01 volume  0.37742E-02 ppm1      1.060 ppm2      3.894 CV     1
 ASSI {   10}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H32A))
      2.900     1.100     1.100 peak    10 spectrum    1 weight  0.11000E+01 volume  0.10457E-01 ppm1      0.947 ppm2      4.129 CV     1
 ASSI {   11}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H32A))
      2.500     0.800     0.800 peak    11 spectrum    1 weight  0.11000E+01 volume  0.20284E-01 ppm1      1.061 ppm2      4.129 CV     1
 ASSI {   12}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H36A))
      2.800     1.200     1.200 peak    12 spectrum    1 weight  0.11000E+01 volume  0.20284E-01 ppm1      1.061 ppm2      4.129 CV     1
 ASSI {   13}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H36A))
      2.800     1.200     1.200 peak    13 spectrum    1 weight  0.11000E+01 volume  0.20284E-01 ppm1      1.061 ppm2      4.129 CV     1
 ASSI {   14}
   (  segid "    " and resid 42   and name H38A)
   (( segid "    " and resid 42   and name H36A))
      2.800     1.200     1.200 peak    14 spectrum    1 weight  0.11000E+01 volume  0.20284E-01 ppm1      1.061 ppm2      4.129 CV     1
 OR {   14}
   (  segid "    " and resid 42   and name H38B)
   (( segid "    " and resid 42   and name H36A))
 ASSI {   16}
   (( segid "    " and resid 42   and name H5B ))
   (( segid "    " and resid 42   and name H7A ))
      2.800     1.000     1.000 peak    16 spectrum    1 weight  0.11000E+01 volume  0.74873E-02 ppm1      2.898 ppm2      7.230 CV     1
 OR {   16}
   (( segid "    " and resid 42   and name H5A ))
   (( segid "    " and resid 42   and name H11A))
 OR {   16}
   (( segid "    " and resid 42   and name H5B ))
   (( segid "    " and resid 42   and name H11A))
 OR {   16}
   (( segid "    " and resid 42   and name H5A ))
   (( segid "    " and resid 42   and name H7A ))
 ASSI {   18}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H37B))
      2.700     0.900     0.900 peak    18 spectrum    1 weight  0.11000E+01 volume  0.59037E-02 ppm1      2.583 ppm2      3.615 CV     1
 OR {   18}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H37A))
 OR {   18}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H37A))
 OR {   18}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H37B))
 ASSI {   21}
   (( segid "    " and resid 42   and name H43A ))
   (( segid "    " and resid 42   and name H41A ))
      3.500     1.800     1.800 peak    21 spectrum    1 weight  0.11000E+01 volume  0.13265E-01 ppm1      7.238 ppm2      2.900 CV     1
 OR {   21}
   (( segid "    " and resid 42   and name H43B ))
   (( segid "    " and resid 42   and name H41A ))
 ASSI {   27}
   (( segid "    " and resid 42   and name H7A ))
   (( segid "    " and resid 42   and name H5B ))
      2.500     0.800     0.800 peak    27 spectrum    1 weight  0.11000E+01 volume  0.13265E-01 ppm1      7.238 ppm2      2.900 CV     1
 OR {   27}
   (( segid "    " and resid 42   and name H7A ))
   (( segid "    " and resid 42   and name H5A ))
 ASSI {   31}
   (( segid "    " and resid 42   and name H5B ))
   (( segid "    " and resid 42   and name H8A ))
      4.100     2.100     1.900 peak    31 spectrum    1 weight  0.11000E+01 volume  0.23668E-02 ppm1      2.897 ppm2      7.287 CV     1
 OR {   31}
   (( segid "    " and resid 42   and name H5A ))
   (( segid "    " and resid 42   and name H8A ))
 ASSI {   32}
   (( segid "    " and resid 42   and name H38A ))
   (( segid "    " and resid 42   and name H36A ))
      3.100     2.100     1.900 peak    32 spectrum    1 weight  0.11000E+01 volume  0.23668E-02 ppm1      2.897 ppm2      7.287 CV     1
 OR {   32}
   (( segid "    " and resid 42   and name H38B ))
   (( segid "    " and resid 42   and name H36A ))
 ASSI {   36}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H31%)
      2.800     0.900     0.900 peak    36 spectrum    1 weight  0.10000E+01 volume  0.60979E-02 ppm1      3.898 ppm2      1.064 CV     1
 OR {   36}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   37}
   (( segid "    " and resid 42   and name H42A))
   (  segid "    " and resid 42   and name H31%)
      2.500     0.800     0.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.11621E-01 ppm1      3.427 ppm2      1.064 CV     1
 ASSI {   40}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H30%)
      2.700     0.900     0.900 peak    40 spectrum    1 weight  0.11000E+01 volume  0.16480E-01 ppm1      3.899 ppm2      0.949 CV     1
 ASSI {   41}
   (( segid "    " and resid 42   and name H42B))
   (  segid "    " and resid 42   and name H30%)
      2.100     0.600     0.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.18394E-01 ppm1      3.427 ppm2      0.949 CV     1
 ASSI {   49}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H42B))
      3.200     1.200     1.200 peak    49 spectrum    1 weight  0.10000E+01 volume  0.25962E-01 ppm1      3.900 ppm2      3.418 CV     1
 OR {   49}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H42A))
 OR {   49}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H42B))
 OR {   49}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H42A))


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1 -18.308  -7.749  -4.287
    2    H2   MET   1           HT2      MET   1 -19.069  -6.446  -3.516
    3    H3   MET   1           HT3      MET   1 -19.944  -7.840  -3.900
    4    HA   MET   1           HA       MET   1 -19.322  -7.710  -1.540
    5    HB2  MET   1           HB2      MET   1 -17.977  -9.935  -3.114
    6    HB3  MET   1           HB1      MET   1 -18.118  -9.933  -1.367
    7    HG2  MET   1           HG2      MET   1 -20.550  -9.970  -1.563
    8    HG3  MET   1           HG1      MET   1 -20.402  -9.949  -3.314
    9    HE1  MET   1           HE1      MET   1 -21.643 -13.593  -2.546
   10    HE2  MET   1           HE2      MET   1 -21.961 -12.110  -3.447
   11    HE3  MET   1           HE3      MET   1 -22.080 -12.120  -1.685
   12    H    ALA   2           HN       ALA   2 -17.907  -6.864  -0.158
   13    HA   ALA   2           HA       ALA   2 -15.458  -5.820  -0.987
   14    HB1  ALA   2           HB1      ALA   2 -16.444  -6.381   1.802
   15    HB2  ALA   2           HB2      ALA   2 -16.733  -4.900   0.886
   16    HB3  ALA   2           HB3      ALA   2 -15.097  -5.328   1.380
   17    H    THR   3           HN       THR   3 -13.877  -7.069  -1.658
   18    HA   THR   3           HA       THR   3 -13.235  -9.543  -0.239
   19    HB   THR   3           HB       THR   3 -12.056  -8.420  -2.791
   20    HG1  THR   3           HG1      THR   3 -14.455  -9.069  -2.635
   21   HG21  THR   3          HG21      THR   3 -10.650 -10.114  -1.683
   22   HG22  THR   3          HG22      THR   3 -11.327 -10.782  -3.162
   23   HG23  THR   3          HG23      THR   3 -12.020 -11.217  -1.607
   24    H    LEU   4           HN       LEU   4 -12.339  -8.580   1.586
   25    HA   LEU   4           HA       LEU   4 -10.312  -6.616   1.499
   26    HB2  LEU   4           HB2      LEU   4 -11.225  -8.485   3.678
   27    HB3  LEU   4           HB1      LEU   4  -9.781  -7.517   3.879
   28    HG   LEU   4           HG       LEU   4 -11.146  -5.460   3.623
   29   HD11  LEU   4          HD11      LEU   4 -13.527  -7.302   3.563
   30   HD12  LEU   4          HD12      LEU   4 -12.931  -6.319   2.226
   31   HD13  LEU   4          HD13      LEU   4 -13.544  -5.541   3.692
   32   HD21  LEU   4          HD21      LEU   4 -12.145  -7.361   5.727
   33   HD22  LEU   4          HD22      LEU   4 -12.306  -5.597   5.752
   34   HD23  LEU   4          HD23      LEU   4 -10.708  -6.347   5.819
   35    H    LEU   5           HN       LEU   5  -8.303  -6.732   1.076
   36    HA   LEU   5           HA       LEU   5  -7.091  -9.224   0.309
   37    HB2  LEU   5           HB2      LEU   5  -5.146  -7.861  -0.339
   38    HB3  LEU   5           HB1      LEU   5  -6.622  -7.363  -1.125
   39    HG   LEU   5           HG       LEU   5  -5.911  -5.845   1.318
   40   HD11  LEU   5          HD11      LEU   5  -4.340  -5.615  -1.254
   41   HD12  LEU   5          HD12      LEU   5  -3.705  -6.188   0.289
   42   HD13  LEU   5          HD13      LEU   5  -4.238  -4.516   0.126
   43   HD21  LEU   5          HD21      LEU   5  -6.633  -3.984  -0.081
   44   HD22  LEU   5          HD22      LEU   5  -7.844  -5.266  -0.168
   45   HD23  LEU   5          HD23      LEU   5  -6.698  -5.052  -1.484
   46    H    THR   6           HN       THR   6  -5.076  -9.976   1.079
   47    HA   THR   6           HA       THR   6  -4.870  -9.671   3.920
   48    HB   THR   6           HB       THR   6  -3.253 -11.606   3.662
   49    HG1  THR   6           HG1      THR   6  -3.503 -12.689   1.534
   50   HG21  THR   6          HG21      THR   6  -5.628 -11.962   4.263
   51   HG22  THR   6          HG22      THR   6  -5.018 -13.266   3.252
   52   HG23  THR   6          HG23      THR   6  -6.052 -12.021   2.549
   53    H    THR   7           HN       THR   7  -2.401  -9.908   4.676
   54    HA   THR   7           HA       THR   7  -1.174  -7.514   3.721
   55    HB   THR   7           HB       THR   7  -0.114  -9.429   5.823
   56    HG1  THR   7           HG1      THR   7  -1.615  -8.620   7.185
   57   HG21  THR   7          HG21      THR   7   0.851  -7.372   6.767
   58   HG22  THR   7          HG22      THR   7   0.158  -6.437   5.443
   59   HG23  THR   7          HG23      THR   7   1.414  -7.618   5.109
   60    H    ASP   8           HN       ASP   8  -1.013 -10.777   2.950
   61    HA   ASP   8           HA       ASP   8   1.775 -10.997   2.251
   62    HB2  ASP   8           HB2      ASP   8   0.520 -13.034   2.709
   63    HB3  ASP   8           HB1      ASP   8  -0.602 -12.702   1.397
   64    H    ASP   9           HN       ASP   9  -1.212 -10.402   0.516
   65    HA   ASP   9           HA       ASP   9  -0.082 -10.295  -2.065
   66    HB2  ASP   9           HB2      ASP   9  -2.630 -10.409  -1.198
   67    HB3  ASP   9           HB1      ASP   9  -2.477  -8.665  -1.382
   68    H    LEU  10           HN       LEU  10  -0.901  -7.847   0.328
   69    HA   LEU  10           HA       LEU  10  -0.157  -5.483  -0.947
   70    HB2  LEU  10           HB2      LEU  10  -1.337  -5.568   1.220
   71    HB3  LEU  10           HB1      LEU  10   0.097  -6.228   1.977
   72    HG   LEU  10           HG       LEU  10   1.304  -4.139   1.632
   73   HD11  LEU  10          HD11      LEU  10   0.224  -3.339  -0.396
   74   HD12  LEU  10          HD12      LEU  10   0.150  -2.121   0.858
   75   HD13  LEU  10          HD13      LEU  10  -1.280  -3.076   0.475
   76   HD21  LEU  10          HD21      LEU  10   0.067  -2.792   3.258
   77   HD22  LEU  10          HD22      LEU  10   0.045  -4.490   3.701
   78   HD23  LEU  10          HD23      LEU  10  -1.371  -3.758   2.969
   79    H    ARG  11           HN       ARG  11   1.800  -7.627   1.071
   80    HA   ARG  11           HA       ARG  11   4.221  -6.289   0.985
   81    HB2  ARG  11           HB2      ARG  11   3.885  -8.115   2.507
   82    HB3  ARG  11           HB1      ARG  11   3.596  -9.227   1.182
   83    HG2  ARG  11           HG2      ARG  11   5.914  -9.103   0.523
   84    HG3  ARG  11           HG1      ARG  11   6.232  -7.867   1.733
   85    HD2  ARG  11           HD2      ARG  11   6.985 -10.093   2.466
   86    HD3  ARG  11           HD1      ARG  11   5.725  -9.466   3.518
   87    HE   ARG  11           HE       ARG  11   4.479 -11.020   1.588
   88   HH11  ARG  11          HH11      ARG  11   6.900 -11.585   4.135
   89   HH12  ARG  11          HH12      ARG  11   6.327 -13.153   4.502
   90   HH21  ARG  11          HH21      ARG  11   3.742 -13.258   2.095
   91   HH22  ARG  11          HH22      ARG  11   4.563 -14.089   3.323
   92    H    ARG  12           HN       ARG  12   2.943  -8.717  -1.229
   93    HA   ARG  12           HA       ARG  12   5.297  -8.897  -2.815
   94    HB2  ARG  12           HB2      ARG  12   2.470  -9.738  -3.352
   95    HB3  ARG  12           HB1      ARG  12   3.832 -10.149  -4.377
   96    HG2  ARG  12           HG2      ARG  12   4.882 -11.329  -2.500
   97    HG3  ARG  12           HG1      ARG  12   3.539 -10.864  -1.457
   98    HD2  ARG  12           HD2      ARG  12   3.155 -13.109  -2.065
   99    HD3  ARG  12           HD1      ARG  12   2.031 -12.138  -3.000
  100    HE   ARG  12           HE       ARG  12   4.315 -12.506  -4.567
  101   HH11  ARG  12          HH11      ARG  12   1.659 -14.420  -3.206
  102   HH12  ARG  12          HH12      ARG  12   1.714 -15.642  -4.382
  103   HH21  ARG  12          HH21      ARG  12   4.432 -14.238  -6.219
  104   HH22  ARG  12          HH22      ARG  12   3.348 -15.539  -6.110
  105    H    ALA  13           HN       ALA  13   2.252  -7.203  -3.200
  106    HA   ALA  13           HA       ALA  13   2.799  -6.162  -5.738
  107    HB1  ALA  13           HB1      ALA  13   0.978  -4.587  -5.344
  108    HB2  ALA  13           HB2      ALA  13   1.006  -4.969  -3.621
  109    HB3  ALA  13           HB3      ALA  13   0.538  -6.204  -4.794
  110    H    LEU  14           HN       LEU  14   3.785  -5.108  -2.574
  111    HA   LEU  14           HA       LEU  14   4.586  -2.470  -3.291
  112    HB2  LEU  14           HB2      LEU  14   4.141  -3.261  -0.955
  113    HB3  LEU  14           HB1      LEU  14   5.595  -4.194  -1.019
  114    HG   LEU  14           HG       LEU  14   6.947  -2.135  -1.235
  115   HD11  LEU  14          HD11      LEU  14   4.335  -0.701  -0.784
  116   HD12  LEU  14          HD12      LEU  14   5.295  -0.664  -2.262
  117   HD13  LEU  14          HD13      LEU  14   5.936   0.038  -0.784
  118   HD21  LEU  14          HD21      LEU  14   6.574  -3.136   0.950
  119   HD22  LEU  14          HD22      LEU  14   5.091  -2.214   1.146
  120   HD23  LEU  14          HD23      LEU  14   6.646  -1.380   1.085
  121    H    VAL  15           HN       VAL  15   5.966  -5.574  -3.589
  122    HA   VAL  15           HA       VAL  15   8.701  -4.759  -4.010
  123    HB   VAL  15           HB       VAL  15   7.348  -7.371  -4.773
  124   HG11  VAL  15          HG11      VAL  15   9.428  -7.024  -5.985
  125   HG12  VAL  15          HG12      VAL  15   9.599  -8.324  -4.823
  126   HG13  VAL  15          HG13      VAL  15  10.280  -6.734  -4.472
  127   HG21  VAL  15          HG21      VAL  15   8.317  -8.281  -2.710
  128   HG22  VAL  15          HG22      VAL  15   7.189  -6.964  -2.371
  129   HG23  VAL  15          HG23      VAL  15   8.934  -6.676  -2.298
  130    H    GLU  16           HN       GLU  16   5.919  -5.521  -6.057
  131    HA   GLU  16           HA       GLU  16   7.184  -5.712  -8.555
  132    HB2  GLU  16           HB2      GLU  16   4.379  -4.723  -7.989
  133    HB3  GLU  16           HB1      GLU  16   4.984  -5.285  -9.540
  134    HG2  GLU  16           HG2      GLU  16   5.326  -7.532  -8.503
  135    HG3  GLU  16           HG1      GLU  16   4.548  -6.919  -7.047
  136    H    SER  17           HN       SER  17   6.615  -2.915  -6.670
  137    HA   SER  17           HA       SER  17   6.420  -1.106  -8.902
  138    HB2  SER  17           HB2      SER  17   5.133  -0.882  -6.733
  139    HB3  SER  17           HB1      SER  17   6.652  -0.425  -5.971
  140    HG   SER  17           HG       SER  17   5.781   1.470  -6.553
  141    H    ALA  18           HN       ALA  18   9.000  -2.609  -7.347
  142    HA   ALA  18           HA       ALA  18  10.749  -0.296  -7.822
  143    HB1  ALA  18           HB1      ALA  18  10.734  -1.102  -5.500
  144    HB2  ALA  18           HB2      ALA  18  12.331  -1.261  -6.243
  145    HB3  ALA  18           HB3      ALA  18  11.297  -2.680  -6.051
  146    H    GLY  19           HN       GLY  19  11.596  -3.741  -7.643
  147    HA2  GLY  19           HA2      GLY  19  11.912  -4.232 -10.360
  148    HA3  GLY  19           HA1      GLY  19  13.399  -3.490  -9.798
  149    H    GLU  20           HN       GLU  20  14.774  -4.632  -8.518
  150    HA   GLU  20           HA       GLU  20  14.151  -7.286  -7.525
  151    HB2  GLU  20           HB2      GLU  20  14.502  -7.684  -9.916
  152    HB3  GLU  20           HB1      GLU  20  16.068  -6.930  -9.856
  153    HG2  GLU  20           HG2      GLU  20  16.571  -9.196  -9.835
  154    HG3  GLU  20           HG1      GLU  20  16.678  -8.756  -8.147
  155    H    THR  21           HN       THR  21  17.114  -5.749  -8.703
  156    HA   THR  21           HA       THR  21  18.439  -6.293  -6.166
  157    HB   THR  21           HB       THR  21  20.494  -5.666  -7.481
  158    HG1  THR  21           HG1      THR  21  19.066  -4.406  -8.978
  159   HG21  THR  21          HG21      THR  21  19.820  -8.027  -7.346
  160   HG22  THR  21          HG22      THR  21  20.487  -7.668  -8.941
  161   HG23  THR  21          HG23      THR  21  18.746  -7.799  -8.715
  162    H    ASP  22           HN       ASP  22  16.620  -4.398  -5.902
  163    HA   ASP  22           HA       ASP  22  18.118  -1.978  -5.388
  164    HB2  ASP  22           HB2      ASP  22  16.450  -0.570  -6.630
  165    HB3  ASP  22           HB1      ASP  22  17.495  -1.541  -7.655
  166    H    GLY  23           HN       GLY  23  16.150  -4.195  -4.270
  167    HA2  GLY  23           HA2      GLY  23  14.659  -2.295  -2.621
  168    HA3  GLY  23           HA1      GLY  23  13.899  -3.756  -3.246
  169    H    THR  24           HN       THR  24  13.783  -3.567  -0.629
  170    HA   THR  24           HA       THR  24  16.072  -5.066   0.384
  171    HB   THR  24           HB       THR  24  15.626  -2.946   1.619
  172    HG1  THR  24           HG1      THR  24  16.147  -3.882   3.421
  173   HG21  THR  24          HG21      THR  24  13.560  -2.704   2.957
  174   HG22  THR  24          HG22      THR  24  12.928  -4.179   2.237
  175   HG23  THR  24          HG23      THR  24  13.230  -2.770   1.228
  176    H    ASP  25           HN       ASP  25  15.021  -6.348   2.517
  177    HA   ASP  25           HA       ASP  25  13.333  -8.330   1.181
  178    HB2  ASP  25           HB2      ASP  25  14.854  -8.554   3.796
  179    HB3  ASP  25           HB1      ASP  25  13.903  -9.835   3.050
  180    H    LEU  26           HN       LEU  26  11.287  -7.725   1.411
  181    HA   LEU  26           HA       LEU  26  10.315  -6.626   3.910
  182    HB2  LEU  26           HB2      LEU  26   8.715  -7.613   1.532
  183    HB3  LEU  26           HB1      LEU  26   8.106  -6.696   2.881
  184    HG   LEU  26           HG       LEU  26  10.115  -5.625   0.906
  185   HD11  LEU  26          HD11      LEU  26   7.954  -6.019  -0.159
  186   HD12  LEU  26          HD12      LEU  26   8.247  -4.298   0.066
  187   HD13  LEU  26          HD13      LEU  26   7.133  -5.145   1.130
  188   HD21  LEU  26          HD21      LEU  26   8.521  -4.279   3.096
  189   HD22  LEU  26          HD22      LEU  26   9.579  -3.476   1.940
  190   HD23  LEU  26          HD23      LEU  26  10.260  -4.599   3.117
  191    H    SER  27           HN       SER  27  10.925  -8.205   5.333
  192    HA   SER  27           HA       SER  27   9.038 -10.374   5.506
  193    HB2  SER  27           HB2      SER  27  11.069 -11.309   4.363
  194    HB3  SER  27           HB1      SER  27  12.042 -10.777   5.722
  195    HG   SER  27           HG       SER  27  11.436 -13.002   5.905
  196    H    GLY  28           HN       GLY  28   9.228 -11.299   7.757
  197    HA2  GLY  28           HA2      GLY  28   9.375 -10.985  10.061
  198    HA3  GLY  28           HA1      GLY  28  10.390  -9.565   9.766
  199    H    ASP  29           HN       ASP  29   9.383  -7.638   9.040
  200    HA   ASP  29           HA       ASP  29   6.547  -7.386   9.241
  201    HB2  ASP  29           HB2      ASP  29   7.010  -7.229  11.626
  202    HB3  ASP  29           HB1      ASP  29   8.305  -6.069  11.346
  203    H    PHE  30           HN       PHE  30   5.850  -5.504   8.394
  204    HA   PHE  30           HA       PHE  30   7.731  -3.440   7.782
  205    HB2  PHE  30           HB2      PHE  30   7.216  -3.256   5.433
  206    HB3  PHE  30           HB1      PHE  30   7.747  -4.890   5.736
  207    HD1  PHE  30           HD1      PHE  30   6.006  -6.744   5.828
  208    HD2  PHE  30           HD2      PHE  30   5.090  -2.809   4.464
  209    HE1  PHE  30           HE1      PHE  30   3.950  -7.582   4.715
  210    HE2  PHE  30           HE2      PHE  30   3.074  -3.644   3.369
  211    HZ   PHE  30           HZ       PHE  30   2.496  -6.002   3.481
  212    H    LEU  31           HN       LEU  31   5.071  -4.237   9.284
  213    HA   LEU  31           HA       LEU  31   3.254  -2.331   8.119
  214    HB2  LEU  31           HB2      LEU  31   2.930  -4.198  10.443
  215    HB3  LEU  31           HB1      LEU  31   1.676  -3.131   9.845
  216    HG   LEU  31           HG       LEU  31   2.912  -5.416   8.299
  217   HD11  LEU  31          HD11      LEU  31   0.173  -5.088   9.510
  218   HD12  LEU  31          HD12      LEU  31   1.452  -6.153  10.070
  219   HD13  LEU  31          HD13      LEU  31   0.716  -6.420   8.476
  220   HD21  LEU  31          HD21      LEU  31   0.699  -3.499   7.529
  221   HD22  LEU  31          HD22      LEU  31   1.176  -4.946   6.647
  222   HD23  LEU  31          HD23      LEU  31   2.313  -3.608   6.810
  223    H    ASP  32           HN       ASP  32   5.269  -2.575  11.022
  224    HA   ASP  32           HA       ASP  32   4.044  -0.102  12.047
  225    HB2  ASP  32           HB2      ASP  32   4.319  -2.111  13.550
  226    HB3  ASP  32           HB1      ASP  32   6.062  -1.938  13.393
  227    H    LEU  33           HN       LEU  33   6.188  -0.659   9.888
  228    HA   LEU  33           HA       LEU  33   8.115   1.335  10.787
  229    HB2  LEU  33           HB2      LEU  33   9.734   0.366   9.016
  230    HB3  LEU  33           HB1      LEU  33   9.107  -0.749  10.165
  231    HG   LEU  33           HG       LEU  33   7.638  -1.694   8.478
  232   HD11  LEU  33          HD11      LEU  33   7.919  -1.062   6.130
  233   HD12  LEU  33          HD12      LEU  33   9.003   0.245   6.599
  234   HD13  LEU  33          HD13      LEU  33   7.308   0.292   7.080
  235   HD21  LEU  33          HD21      LEU  33   9.813  -2.568   8.910
  236   HD22  LEU  33          HD22      LEU  33  10.540  -1.430   7.780
  237   HD23  LEU  33          HD23      LEU  33   9.464  -2.709   7.186
  238    H    ARG  34           HN       ARG  34   8.912   2.884   8.912
  239    HA   ARG  34           HA       ARG  34   6.474   4.131   7.902
  240    HB2  ARG  34           HB2      ARG  34   9.290   5.145   8.207
  241    HB3  ARG  34           HB1      ARG  34   7.931   6.113   7.652
  242    HG2  ARG  34           HG2      ARG  34   6.887   6.009   9.765
  243    HG3  ARG  34           HG1      ARG  34   7.973   4.736  10.309
  244    HD2  ARG  34           HD2      ARG  34   8.824   7.552   9.616
  245    HD3  ARG  34           HD1      ARG  34   8.549   6.948  11.257
  246    HE   ARG  34           HE       ARG  34  10.333   5.181  10.221
  247   HH11  ARG  34          HH11      ARG  34  10.431   8.757  10.482
  248   HH12  ARG  34          HH12      ARG  34  12.114   8.766  10.780
  249   HH21  ARG  34          HH21      ARG  34  12.629   5.284  10.429
  250   HH22  ARG  34          HH22      ARG  34  13.381   6.788  10.735
  251    H    PHE  35           HN       PHE  35   6.739   5.309   5.747
  252    HA   PHE  35           HA       PHE  35   7.632   3.425   3.782
  253    HB2  PHE  35           HB2      PHE  35   6.428   6.184   3.491
  254    HB3  PHE  35           HB1      PHE  35   6.748   5.084   2.143
  255    HD1  PHE  35           HD2      PHE  35   5.619   2.714   2.362
  256    HD2  PHE  35           HD1      PHE  35   4.358   6.198   4.462
  257    HE1  PHE  35           HE2      PHE  35   3.422   1.697   2.707
  258    HE2  PHE  35           HE1      PHE  35   2.141   5.165   4.813
  259    HZ   PHE  35           HZ       PHE  35   1.642   2.971   3.839
  260    H    GLU  36           HN       GLU  36   8.537   6.657   4.822
  261    HA   GLU  36           HA       GLU  36  10.766   7.208   3.174
  262    HB2  GLU  36           HB2      GLU  36   9.802   8.864   4.731
  263    HB3  GLU  36           HB1      GLU  36  10.236   7.886   6.102
  264    HG2  GLU  36           HG2      GLU  36  11.766   9.619   6.088
  265    HG3  GLU  36           HG1      GLU  36  12.667   8.280   5.390
  266    H    ASP  37           HN       ASP  37  10.303   5.134   5.854
  267    HA   ASP  37           HA       ASP  37  13.018   4.713   6.653
  268    HB2  ASP  37           HB2      ASP  37  10.896   4.541   8.071
  269    HB3  ASP  37           HB1      ASP  37  10.606   3.003   7.293
  270    H    ILE  38           HN       ILE  38  10.858   3.257   4.320
  271    HA   ILE  38           HA       ILE  38  12.796   1.097   3.865
  272    HB   ILE  38           HB       ILE  38  11.007  -0.030   2.518
  273   HG12  ILE  38          HG12      ILE  38   9.198   1.971   3.892
  274   HG13  ILE  38          HG11      ILE  38   9.535   1.910   2.165
  275   HG21  ILE  38          HG21      ILE  38  11.626  -0.791   4.708
  276   HG22  ILE  38          HG22      ILE  38   9.879  -0.972   4.433
  277   HG23  ILE  38          HG23      ILE  38  10.482   0.347   5.443
  278   HD11  ILE  38          HD11      ILE  38   7.359   0.968   2.695
  279   HD12  ILE  38          HD12      ILE  38   8.105  -0.209   3.770
  280   HD13  ILE  38          HD13      ILE  38   8.433  -0.262   2.042
  281    H    GLY  39           HN       GLY  39  12.665   3.931   2.833
  282    HA2  GLY  39           HA2      GLY  39  13.611   4.912   0.954
  283    HA3  GLY  39           HA1      GLY  39  13.893   3.297   0.335
  284    H    TYR  40           HN       TYR  40  10.716   4.510   1.167
  285    HA   TYR  40           HA       TYR  40  10.114   4.753  -1.688
  286    HB2  TYR  40           HB2      TYR  40   8.460   3.589   0.530
  287    HB3  TYR  40           HB1      TYR  40   7.670   4.367  -0.825
  288    HD1  TYR  40           HD1      TYR  40   7.996   3.428  -3.166
  289    HD2  TYR  40           HD2      TYR  40   9.415   1.459   0.325
  290    HE1  TYR  40           HE1      TYR  40   8.200   1.351  -4.427
  291    HE2  TYR  40           HE2      TYR  40   9.639  -0.620  -0.898
  292    HH   TYR  40           HH       TYR  40   9.602  -0.902  -4.185
  293    H    ASP  41           HN       ASP  41   9.440   6.634  -2.388
  294    HA   ASP  41           HA       ASP  41   9.246   8.809  -0.464
  295    HB2  ASP  41           HB2      ASP  41   8.858   8.965  -3.472
  296    HB3  ASP  41           HB1      ASP  41   9.034  10.319  -2.370
  297    H    SER  42           HN       SER  42   7.338   8.768  -3.312
  298    HA   SER  42           HA       SER  42   4.792   8.376  -1.997
  299    HB2  SER  42           HB2      SER  42   4.066  10.583  -3.007
  300    HB3  SER  42           HB1      SER  42   5.240  10.780  -1.690
  301    H    LEU  43           HN       LEU  43   6.455   9.511  -4.835
  302    HA   LEU  43           HA       LEU  43   4.747   8.858  -6.887
  303    HB2  LEU  43           HB2      LEU  43   6.804  10.133  -7.180
  304    HB3  LEU  43           HB1      LEU  43   7.759   8.704  -6.892
  305    HG   LEU  43           HG       LEU  43   6.896   7.705  -8.982
  306   HD11  LEU  43          HD11      LEU  43   5.611  10.393  -9.418
  307   HD12  LEU  43          HD12      LEU  43   4.770   8.869  -9.127
  308   HD13  LEU  43          HD13      LEU  43   5.731   9.082 -10.594
  309   HD21  LEU  43          HD21      LEU  43   8.182   9.128 -10.487
  310   HD22  LEU  43          HD22      LEU  43   9.006   8.907  -8.937
  311   HD23  LEU  43          HD23      LEU  43   8.165  10.420  -9.279
  312    H    ALA  44           HN       ALA  44   7.478   6.803  -5.841
  313    HA   ALA  44           HA       ALA  44   6.650   4.580  -7.335
  314    HB1  ALA  44           HB1      ALA  44   8.346   3.328  -6.090
  315    HB2  ALA  44           HB2      ALA  44   8.462   4.656  -4.931
  316    HB3  ALA  44           HB3      ALA  44   8.960   4.893  -6.611
  317    H    LEU  45           HN       LEU  45   5.573   5.829  -4.411
  318    HA   LEU  45           HA       LEU  45   4.653   3.360  -3.250
  319    HB2  LEU  45           HB2      LEU  45   5.483   5.488  -2.050
  320    HB3  LEU  45           HB1      LEU  45   3.936   6.176  -2.453
  321    HG   LEU  45           HG       LEU  45   4.334   3.753  -0.681
  322   HD11  LEU  45          HD11      LEU  45   3.823   6.623   0.017
  323   HD12  LEU  45          HD12      LEU  45   5.316   5.702   0.261
  324   HD13  LEU  45          HD13      LEU  45   3.855   5.257   1.143
  325   HD21  LEU  45          HD21      LEU  45   2.123   3.828  -1.740
  326   HD22  LEU  45          HD22      LEU  45   1.900   5.485  -1.161
  327   HD23  LEU  45          HD23      LEU  45   2.024   4.149  -0.007
  328    H    MET  46           HN       MET  46   3.235   6.251  -4.945
  329    HA   MET  46           HA       MET  46   0.614   5.306  -4.789
  330    HB2  MET  46           HB2      MET  46   1.873   7.243  -6.707
  331    HB3  MET  46           HB1      MET  46   0.149   6.905  -6.697
  332    HG2  MET  46           HG2      MET  46   0.171   7.591  -4.266
  333    HG3  MET  46           HG1      MET  46   1.785   8.216  -4.559
  334    HE1  MET  46           HE1      MET  46  -2.002   8.433  -5.555
  335    HE2  MET  46           HE2      MET  46  -1.202   8.124  -7.092
  336    HE3  MET  46           HE3      MET  46  -1.953   9.688  -6.795
  337    H    GLU  47           HN       GLU  47   3.163   4.569  -6.989
  338    HA   GLU  47           HA       GLU  47   1.726   3.241  -8.997
  339    HB2  GLU  47           HB2      GLU  47   4.459   2.750  -7.804
  340    HB3  GLU  47           HB1      GLU  47   3.845   1.814  -9.151
  341    HG2  GLU  47           HG2      GLU  47   4.064   4.791  -9.218
  342    HG3  GLU  47           HG1      GLU  47   5.388   3.718  -9.673
  343    H    THR  48           HN       THR  48   2.993   2.033  -5.884
  344    HA   THR  48           HA       THR  48   2.079  -0.587  -5.984
  345    HB   THR  48           HB       THR  48   2.377   1.224  -3.569
  346    HG1  THR  48           HG1      THR  48   4.350  -0.462  -4.709
  347   HG21  THR  48          HG21      THR  48   1.310  -0.935  -3.080
  348   HG22  THR  48          HG22      THR  48   2.935  -0.868  -2.398
  349   HG23  THR  48          HG23      THR  48   2.638  -1.782  -3.877
  350    H    ALA  49           HN       ALA  49   0.589   2.379  -4.718
  351    HA   ALA  49           HA       ALA  49  -1.761   1.285  -3.678
  352    HB1  ALA  49           HB1      ALA  49  -1.366   4.023  -4.868
  353    HB2  ALA  49           HB2      ALA  49  -1.007   3.578  -3.203
  354    HB3  ALA  49           HB3      ALA  49  -2.679   3.542  -3.793
  355    H    ALA  50           HN       ALA  50  -1.178   2.725  -6.883
  356    HA   ALA  50           HA       ALA  50  -3.774   2.379  -7.896
  357    HB1  ALA  50           HB1      ALA  50  -1.179   2.584  -9.442
  358    HB2  ALA  50           HB2      ALA  50  -2.158   3.932  -8.862
  359    HB3  ALA  50           HB3      ALA  50  -2.815   2.845 -10.077
  360    H    ARG  51           HN       ARG  51  -1.055   0.273  -7.729
  361    HA   ARG  51           HA       ARG  51  -1.687  -1.751  -9.573
  362    HB2  ARG  51           HB2      ARG  51   0.435  -1.439  -8.201
  363    HB3  ARG  51           HB1      ARG  51  -0.433  -2.065  -6.828
  364    HG2  ARG  51           HG2      ARG  51   0.924  -3.798  -7.688
  365    HG3  ARG  51           HG1      ARG  51  -0.735  -4.201  -8.120
  366    HD2  ARG  51           HD2      ARG  51  -0.436  -3.487 -10.351
  367    HD3  ARG  51           HD1      ARG  51   1.115  -2.727  -9.978
  368    HE   ARG  51           HE       ARG  51   1.326  -5.459  -9.389
  369   HH11  ARG  51          HH11      ARG  51   0.937  -3.395 -12.260
  370   HH12  ARG  51          HH12      ARG  51   1.734  -4.421 -13.308
  371   HH21  ARG  51          HH21      ARG  51   2.440  -6.904 -10.797
  372   HH22  ARG  51          HH22      ARG  51   2.625  -6.545 -12.447
  373    H    LEU  52           HN       LEU  52  -2.616  -1.206  -6.224
  374    HA   LEU  52           HA       LEU  52  -4.208  -3.596  -6.042
  375    HB2  LEU  52           HB2      LEU  52  -3.858  -1.271  -4.140
  376    HB3  LEU  52           HB1      LEU  52  -4.800  -2.718  -3.796
  377    HG   LEU  52           HG       LEU  52  -1.832  -2.685  -4.361
  378   HD11  LEU  52          HD11      LEU  52  -3.305  -2.883  -1.739
  379   HD12  LEU  52          HD12      LEU  52  -2.312  -1.523  -2.294
  380   HD13  LEU  52          HD13      LEU  52  -1.566  -3.081  -1.964
  381   HD21  LEU  52          HD21      LEU  52  -2.932  -4.822  -4.911
  382   HD22  LEU  52          HD22      LEU  52  -3.645  -4.865  -3.303
  383   HD23  LEU  52          HD23      LEU  52  -1.895  -4.979  -3.497
  384    H    GLU  53           HN       GLU  53  -4.812  -0.070  -6.260
  385    HA   GLU  53           HA       GLU  53  -7.593   0.049  -5.943
  386    HB2  GLU  53           HB2      GLU  53  -5.913   1.643  -7.869
  387    HB3  GLU  53           HB1      GLU  53  -7.544   2.036  -7.353
  388    HG2  GLU  53           HG2      GLU  53  -6.667   2.337  -5.073
  389    HG3  GLU  53           HG1      GLU  53  -5.036   2.033  -5.709
  390    H    SER  54           HN       SER  54  -5.786  -0.404  -8.957
  391    HA   SER  54           HA       SER  54  -8.054  -0.531 -10.627
  392    HB2  SER  54           HB2      SER  54  -5.312  -1.701 -11.125
  393    HB3  SER  54           HB1      SER  54  -6.514  -1.237 -12.333
  394    HG   SER  54           HG       SER  54  -4.859   0.355 -10.747
  395    H    ARG  55           HN       ARG  55  -6.361  -2.986  -8.803
  396    HA   ARG  55           HA       ARG  55  -7.533  -5.186 -10.201
  397    HB2  ARG  55           HB2      ARG  55  -5.395  -5.487  -9.215
  398    HB3  ARG  55           HB1      ARG  55  -5.973  -5.015  -7.629
  399    HG2  ARG  55           HG2      ARG  55  -7.350  -7.055  -7.530
  400    HG3  ARG  55           HG1      ARG  55  -6.749  -7.502  -9.138
  401    HD2  ARG  55           HD2      ARG  55  -4.554  -7.762  -8.348
  402    HD3  ARG  55           HD1      ARG  55  -4.935  -6.958  -6.824
  403    HE   ARG  55           HE       ARG  55  -6.467  -9.332  -7.212
  404   HH11  ARG  55          HH11      ARG  55  -3.195  -8.223  -6.375
  405   HH12  ARG  55          HH12      ARG  55  -3.003  -9.369  -5.169
  406   HH21  ARG  55          HH21      ARG  55  -6.070 -11.050  -5.547
  407   HH22  ARG  55          HH22      ARG  55  -4.539 -10.943  -4.732
  408    H    TYR  56           HN       TYR  56  -8.200  -3.648  -7.078
  409    HA   TYR  56           HA       TYR  56 -10.469  -5.436  -6.755
  410    HB2  TYR  56           HB2      TYR  56  -9.229  -3.426  -4.888
  411    HB3  TYR  56           HB1      TYR  56 -10.733  -4.259  -4.516
  412    HD1  TYR  56           HD1      TYR  56 -10.720  -6.683  -4.041
  413    HD2  TYR  56           HD2      TYR  56  -7.126  -4.595  -4.903
  414    HE1  TYR  56           HE1      TYR  56  -9.404  -8.567  -3.151
  415    HE2  TYR  56           HE2      TYR  56  -5.800  -6.462  -4.024
  416    HH   TYR  56           HH       TYR  56  -6.073  -8.332  -2.495
  417    H    GLY  57           HN       GLY  57  -9.915  -2.389  -8.019
  418    HA2  GLY  57           HA2      GLY  57 -11.431  -1.063  -9.122
  419    HA3  GLY  57           HA1      GLY  57 -12.764  -2.020  -8.465
  420    H    VAL  58           HN       VAL  58 -10.145  -0.110  -7.014
  421    HA   VAL  58           HA       VAL  58 -12.249   1.310  -5.565
  422    HB   VAL  58           HB       VAL  58 -11.155   1.302  -3.538
  423   HG11  VAL  58          HG11      VAL  58 -10.610  -0.985  -2.954
  424   HG12  VAL  58          HG12      VAL  58 -10.362  -1.317  -4.665
  425   HG13  VAL  58          HG13      VAL  58 -11.991  -0.919  -4.081
  426   HG21  VAL  58          HG21      VAL  58  -8.853   0.659  -3.045
  427   HG22  VAL  58          HG22      VAL  58  -8.902   1.994  -4.178
  428   HG23  VAL  58          HG23      VAL  58  -8.542   0.356  -4.753
  429    H    SER  59           HN       SER  59 -11.049   3.367  -4.379
  430    HA   SER  59           HA       SER  59  -9.143   4.632  -6.127
  431    HB2  SER  59           HB2      SER  59 -11.387   5.128  -7.143
  432    HB3  SER  59           HB1      SER  59 -11.879   5.867  -5.611
  433    HG   SER  59           HG       SER  59  -9.521   6.838  -6.633
  434    H    ILE  60           HN       ILE  60  -7.744   5.500  -4.787
  435    HA   ILE  60           HA       ILE  60  -8.260   5.853  -1.989
  436    HB   ILE  60           HB       ILE  60  -5.869   6.339  -3.753
  437   HG12  ILE  60          HG12      ILE  60  -6.366   3.999  -3.334
  438   HG13  ILE  60          HG11      ILE  60  -4.880   4.446  -2.511
  439   HG21  ILE  60          HG21      ILE  60  -5.993   6.768  -0.775
  440   HG22  ILE  60          HG22      ILE  60  -5.720   8.000  -1.996
  441   HG23  ILE  60          HG23      ILE  60  -4.503   6.749  -1.730
  442   HD11  ILE  60          HD11      ILE  60  -6.270   3.000  -1.109
  443   HD12  ILE  60          HD12      ILE  60  -7.602   4.152  -1.215
  444   HD13  ILE  60          HD13      ILE  60  -6.110   4.608  -0.400
  445    HA   PRO  61           HA       PRO  61  -9.453  10.146  -2.342
  446    HB2  PRO  61           HB2      PRO  61  -9.621  10.562   0.397
  447    HB3  PRO  61           HB1      PRO  61 -10.918   9.939  -0.623
  448    HG2  PRO  61           HG2      PRO  61  -9.285   8.551   1.356
  449    HG3  PRO  61           HG1      PRO  61 -10.775   8.019   0.562
  450    HD2  PRO  61           HD2      PRO  61  -8.080   7.210   0.026
  451    HD3  PRO  61           HD1      PRO  61  -9.567   6.657  -0.747
  452    H    ASP  62           HN       ASP  62  -8.475  12.169  -2.100
  453    HA   ASP  62           HA       ASP  62  -5.668  12.057  -2.046
  454    HB2  ASP  62           HB2      ASP  62  -5.743  14.467  -2.579
  455    HB3  ASP  62           HB1      ASP  62  -6.810  13.499  -3.600
  456    H    ASP  63           HN       ASP  63  -7.802  13.967   0.189
  457    HA   ASP  63           HA       ASP  63  -5.725  14.868   1.839
  458    HB2  ASP  63           HB2      ASP  63  -8.616  14.358   2.451
  459    HB3  ASP  63           HB1      ASP  63  -7.496  14.916   3.681
  460    H    VAL  64           HN       VAL  64  -7.341  11.849   1.762
  461    HA   VAL  64           HA       VAL  64  -6.563  11.073   4.417
  462    HB   VAL  64           HB       VAL  64  -7.768   9.333   2.244
  463   HG11  VAL  64          HG11      VAL  64  -7.665   8.894   5.211
  464   HG12  VAL  64          HG12      VAL  64  -6.727   8.029   3.980
  465   HG13  VAL  64          HG13      VAL  64  -8.474   7.860   4.022
  466   HG21  VAL  64          HG21      VAL  64  -9.195  11.233   2.740
  467   HG22  VAL  64          HG22      VAL  64  -9.139  10.860   4.458
  468   HG23  VAL  64          HG23      VAL  64  -9.923   9.744   3.344
  469    H    ALA  65           HN       ALA  65  -5.034  11.002   1.367
  470    HA   ALA  65           HA       ALA  65  -3.377   8.741   1.780
  471    HB1  ALA  65           HB1      ALA  65  -2.022   9.646  -0.042
  472    HB2  ALA  65           HB2      ALA  65  -2.908  11.172   0.057
  473    HB3  ALA  65           HB3      ALA  65  -3.743   9.710  -0.458
  474    H    GLY  66           HN       GLY  66  -3.343  11.981   2.910
  475    HA2  GLY  66           HA2      GLY  66  -0.576  11.861   3.767
  476    HA3  GLY  66           HA1      GLY  66  -1.691  13.193   4.061
  477    H    ARG  67           HN       ARG  67  -3.006  10.166   4.876
  478    HA   ARG  67           HA       ARG  67  -2.423  10.688   7.710
  479    HB2  ARG  67           HB2      ARG  67  -4.908   9.701   6.373
  480    HB3  ARG  67           HB1      ARG  67  -4.544   9.160   8.008
  481    HG2  ARG  67           HG2      ARG  67  -6.020  11.052   8.132
  482    HG3  ARG  67           HG1      ARG  67  -4.422  11.495   8.718
  483    HD2  ARG  67           HD2      ARG  67  -3.961  12.565   6.535
  484    HD3  ARG  67           HD1      ARG  67  -5.607  12.194   6.024
  485    HE   ARG  67           HE       ARG  67  -5.897  13.493   8.393
  486   HH11  ARG  67          HH11      ARG  67  -4.555  14.294   5.220
  487   HH12  ARG  67          HH12      ARG  67  -4.540  15.983   5.462
  488   HH21  ARG  67          HH21      ARG  67  -6.009  15.897   8.703
  489   HH22  ARG  67          HH22      ARG  67  -5.439  16.911   7.482
  490    H    VAL  68           HN       VAL  68  -1.289   8.775   5.425
  491    HA   VAL  68           HA       VAL  68  -1.188   6.490   7.235
  492    HB   VAL  68           HB       VAL  68  -0.655   5.051   5.247
  493   HG11  VAL  68          HG11      VAL  68  -2.933   4.993   4.331
  494   HG12  VAL  68          HG12      VAL  68  -3.253   6.565   5.073
  495   HG13  VAL  68          HG13      VAL  68  -2.918   5.157   6.090
  496   HG21  VAL  68          HG21      VAL  68   0.231   6.759   3.735
  497   HG22  VAL  68          HG22      VAL  68  -1.353   7.517   3.643
  498   HG23  VAL  68          HG23      VAL  68  -1.102   5.901   2.971
  499    H    ASP  69           HN       ASP  69   0.576   6.631   8.430
  500    HA   ASP  69           HA       ASP  69   3.039   7.578   7.193
  501    HB2  ASP  69           HB2      ASP  69   2.442   6.807  10.057
  502    HB3  ASP  69           HB1      ASP  69   4.030   7.277   9.511
  503    H    THR  70           HN       THR  70   1.466   4.817   8.468
  504    HA   THR  70           HA       THR  70   3.777   3.115   7.796
  505    HB   THR  70           HB       THR  70   2.867   1.503   9.482
  506    HG1  THR  70           HG1      THR  70   1.059   3.648   9.958
  507   HG21  THR  70          HG21      THR  70   3.398   4.277  10.549
  508   HG22  THR  70          HG22      THR  70   4.627   3.074  10.154
  509   HG23  THR  70          HG23      THR  70   3.506   2.784  11.486
  510    HA   PRO  71           HA       PRO  71   1.246   0.836   4.791
  511    HB2  PRO  71           HB2      PRO  71   2.509  -1.536   6.162
  512    HB3  PRO  71           HB1      PRO  71   2.340  -1.205   4.424
  513    HG2  PRO  71           HG2      PRO  71   4.657  -0.805   5.562
  514    HG3  PRO  71           HG1      PRO  71   4.006   0.449   4.489
  515    HD2  PRO  71           HD2      PRO  71   4.027   0.370   7.503
  516    HD3  PRO  71           HD1      PRO  71   4.420   1.729   6.424
  517    H    ARG  72           HN       ARG  72   1.343  -0.001   8.153
  518    HA   ARG  72           HA       ARG  72  -0.775  -1.750   8.559
  519    HB2  ARG  72           HB2      ARG  72   0.740  -1.072  10.325
  520    HB3  ARG  72           HB1      ARG  72   0.172   0.589  10.220
  521    HG2  ARG  72           HG2      ARG  72  -2.086  -0.268  10.931
  522    HG3  ARG  72           HG1      ARG  72  -1.316  -1.815  11.251
  523    HD2  ARG  72           HD2      ARG  72  -1.431  -0.522  13.297
  524    HD3  ARG  72           HD1      ARG  72   0.241  -0.722  12.811
  525    HE   ARG  72           HE       ARG  72  -0.641   1.685  11.716
  526   HH11  ARG  72          HH11      ARG  72   0.082   0.340  14.902
  527   HH12  ARG  72          HH12      ARG  72   0.272   1.810  15.691
  528   HH21  ARG  72          HH21      ARG  72  -0.357   3.816  12.764
  529   HH22  ARG  72          HH22      ARG  72   0.042   3.843  14.411
  530    H    GLU  73           HN       GLU  73  -0.744   1.774   8.450
  531    HA   GLU  73           HA       GLU  73  -3.543   2.054   8.933
  532    HB2  GLU  73           HB2      GLU  73  -1.466   4.055   8.024
  533    HB3  GLU  73           HB1      GLU  73  -3.076   4.441   8.633
  534    HG2  GLU  73           HG2      GLU  73  -2.579   3.712  10.785
  535    HG3  GLU  73           HG1      GLU  73  -1.152   2.833  10.250
  536    H    LEU  74           HN       LEU  74  -1.465   1.921   6.155
  537    HA   LEU  74           HA       LEU  74  -3.250   2.964   4.229
  538    HB2  LEU  74           HB2      LEU  74  -0.676   2.429   4.114
  539    HB3  LEU  74           HB1      LEU  74  -1.215   0.843   3.611
  540    HG   LEU  74           HG       LEU  74  -1.707   3.451   2.163
  541   HD11  LEU  74          HD11      LEU  74  -0.164   2.589   0.495
  542   HD12  LEU  74          HD12      LEU  74   0.099   1.157   1.493
  543   HD13  LEU  74          HD13      LEU  74   0.604   2.743   2.086
  544   HD21  LEU  74          HD21      LEU  74  -3.533   1.888   1.736
  545   HD22  LEU  74          HD22      LEU  74  -2.380   0.638   1.283
  546   HD23  LEU  74          HD23      LEU  74  -2.542   2.109   0.308
  547    H    LEU  75           HN       LEU  75  -2.586  -0.272   5.482
  548    HA   LEU  75           HA       LEU  75  -4.266  -1.727   3.758
  549    HB2  LEU  75           HB2      LEU  75  -2.528  -2.743   5.221
  550    HB3  LEU  75           HB1      LEU  75  -3.516  -2.398   6.621
  551    HG   LEU  75           HG       LEU  75  -5.272  -3.936   5.715
  552   HD11  LEU  75          HD11      LEU  75  -4.675  -3.817   3.352
  553   HD12  LEU  75          HD12      LEU  75  -4.660  -5.484   3.938
  554   HD13  LEU  75          HD13      LEU  75  -3.138  -4.606   3.699
  555   HD21  LEU  75          HD21      LEU  75  -2.523  -5.108   6.121
  556   HD22  LEU  75          HD22      LEU  75  -4.047  -5.992   6.257
  557   HD23  LEU  75          HD23      LEU  75  -3.668  -4.697   7.395
  558    H    ASP  76           HN       ASP  76  -4.869  -0.295   6.972
  559    HA   ASP  76           HA       ASP  76  -7.516  -1.138   7.334
  560    HB2  ASP  76           HB2      ASP  76  -6.236  -0.047   9.148
  561    HB3  ASP  76           HB1      ASP  76  -6.295   1.478   8.270
  562    H    LEU  77           HN       LEU  77  -6.248   1.761   5.851
  563    HA   LEU  77           HA       LEU  77  -8.563   3.081   5.136
  564    HB2  LEU  77           HB2      LEU  77  -6.444   4.146   4.918
  565    HB3  LEU  77           HB1      LEU  77  -5.872   2.933   3.795
  566    HG   LEU  77           HG       LEU  77  -7.383   3.775   2.070
  567   HD11  LEU  77          HD11      LEU  77  -8.125   5.845   4.116
  568   HD12  LEU  77          HD12      LEU  77  -9.158   4.548   3.527
  569   HD13  LEU  77          HD13      LEU  77  -8.631   5.832   2.422
  570   HD21  LEU  77          HD21      LEU  77  -5.735   5.933   3.375
  571   HD22  LEU  77          HD22      LEU  77  -6.258   5.909   1.691
  572   HD23  LEU  77          HD23      LEU  77  -5.125   4.698   2.280
  573    H    ILE  78           HN       ILE  78  -6.822   0.653   3.189
  574    HA   ILE  78           HA       ILE  78  -8.761   0.840   1.104
  575    HB   ILE  78           HB       ILE  78  -6.611  -1.264   1.516
  576   HG12  ILE  78          HG12      ILE  78  -6.741   1.210  -0.247
  577   HG13  ILE  78          HG11      ILE  78  -5.700   0.962   1.139
  578   HG21  ILE  78          HG21      ILE  78  -8.433  -2.159   0.130
  579   HG22  ILE  78          HG22      ILE  78  -6.997  -1.866  -0.860
  580   HG23  ILE  78          HG23      ILE  78  -8.347  -0.732  -0.910
  581   HD11  ILE  78          HD11      ILE  78  -5.562  -0.534  -1.482
  582   HD12  ILE  78          HD12      ILE  78  -4.509  -0.810  -0.092
  583   HD13  ILE  78          HD13      ILE  78  -4.471   0.731  -0.944
  584    H    ASN  79           HN       ASN  79  -8.205  -1.426   3.724
  585    HA   ASN  79           HA       ASN  79 -10.219  -3.290   3.043
  586    HB2  ASN  79           HB2      ASN  79  -8.917  -2.581   5.658
  587    HB3  ASN  79           HB1      ASN  79 -10.248  -3.700   5.611
  588   HD21  ASN  79          HD21      ASN  79  -7.851  -3.634   3.018
  589   HD22  ASN  79          HD22      ASN  79  -7.124  -5.137   3.464
  590    H    GLY  80           HN       GLY  80 -10.314  -0.368   5.023
  591    HA2  GLY  80           HA2      GLY  80 -12.996  -0.635   5.818
  592    HA3  GLY  80           HA1      GLY  80 -12.041   0.842   5.861
  593    H    ALA  81           HN       ALA  81 -11.489   1.032   3.035
  594    HA   ALA  81           HA       ALA  81 -13.862   2.337   2.272
  595    HB1  ALA  81           HB1      ALA  81 -11.649   3.070   1.577
  596    HB2  ALA  81           HB2      ALA  81 -12.669   2.792   0.173
  597    HB3  ALA  81           HB3      ALA  81 -11.438   1.592   0.643
  598    H    LEU  82           HN       LEU  82 -12.430  -0.769   1.439
  599    HA   LEU  82           HA       LEU  82 -14.208  -1.630  -0.548
  600    HB2  LEU  82           HB2      LEU  82 -12.704  -3.154   1.554
  601    HB3  LEU  82           HB1      LEU  82 -13.687  -3.952   0.348
  602    HG   LEU  82           HG       LEU  82 -11.333  -2.170  -0.277
  603   HD11  LEU  82          HD11      LEU  82 -10.146  -4.268  -0.734
  604   HD12  LEU  82          HD12      LEU  82 -11.549  -5.177  -0.174
  605   HD13  LEU  82          HD13      LEU  82 -10.645  -4.174   0.958
  606   HD21  LEU  82          HD21      LEU  82 -11.528  -3.197  -2.509
  607   HD22  LEU  82          HD22      LEU  82 -12.997  -2.339  -2.075
  608   HD23  LEU  82          HD23      LEU  82 -12.943  -4.090  -1.982
  609    H    ALA  83           HN       ALA  83 -14.472  -1.774   2.950
  610    HA   ALA  83           HA       ALA  83 -16.797  -3.379   3.059
  611    HB1  ALA  83           HB1      ALA  83 -16.958  -2.702   5.383
  612    HB2  ALA  83           HB2      ALA  83 -15.800  -1.405   5.113
  613    HB3  ALA  83           HB3      ALA  83 -15.291  -3.090   4.974
  614    H    GLU  84           HN       GLU  84 -16.349   0.025   2.537
  615    HA   GLU  84           HA       GLU  84 -19.165   0.552   3.009
  616    HB2  GLU  84           HB2      GLU  84 -17.400   2.177   3.746
  617    HB3  GLU  84           HB1      GLU  84 -17.024   2.481   2.054
  618    HG2  GLU  84           HG2      GLU  84 -19.301   3.316   1.723
  619    HG3  GLU  84           HG1      GLU  84 -19.658   2.988   3.411
  620    H    ALA  85           HN       ALA  85 -17.239  -0.523   0.447
  621    HA   ALA  85           HA       ALA  85 -18.871   0.687  -1.631
  622    HB1  ALA  85           HB1      ALA  85 -16.575  -1.259  -1.898
  623    HB2  ALA  85           HB2      ALA  85 -16.450   0.508  -1.971
  624    HB3  ALA  85           HB3      ALA  85 -17.352  -0.370  -3.211
  625    H    ALA  86           HN       ALA  86 -18.798  -2.157   0.206
  626    HA   ALA  86           HA       ALA  86 -20.057  -4.016   0.345
  627    HB1  ALA  86           HB1      ALA  86 -22.050  -2.447  -1.288
  628    HB2  ALA  86           HB2      ALA  86 -21.834  -2.298   0.452
  629    HB3  ALA  86           HB3      ALA  86 -22.403  -3.828  -0.246
  630   H28A  SXR 101          H28A      SXR  42   5.012  11.244  -6.398
  631   H28B  SXR 101          H28B      SXR  42   3.579  10.616  -5.601
  632   H30A  SXR 101          H30A      SXR  42   3.128  10.193  -7.673
  633   H30B  SXR 101          H30B      SXR  42   3.154  11.373  -8.990
  634   H30C  SXR 101          H30C      SXR  42   1.683  11.148  -8.014
  635   H31A  SXR 101          H31A      SXR  42   1.100  12.597  -6.865
  636   H31B  SXR 101          H31B      SXR  42   2.111  13.969  -6.431
  637   H31C  SXR 101          H31C      SXR  42   1.978  12.610  -5.328
  638   H32A  SXR 101          H32A      SXR  42   5.135  12.881  -7.990
  639   H33A  SXR 101          H33A      SXR  42   4.477  15.228  -7.508
  640   H36A  SXR 101          H36A      SXR  42   1.869  14.107  -8.249
  641   H37A  SXR 101          H37A      SXR  42   1.881  15.740 -10.471
  642   H37B  SXR 101          H37B      SXR  42   1.741  14.097 -11.099
  643   H38A  SXR 101          H38A      SXR  42  -0.136  15.412  -9.138
  644   H38B  SXR 101          H38B      SXR  42  -0.489  14.990 -10.830
  645   H41A  SXR 101          H41A      SXR  42  -1.381  14.192  -7.947
  646   H42A  SXR 101          H42A      SXR  42  -1.725  11.379  -8.521
  647   H42B  SXR 101          H42B      SXR  42  -0.874  11.815  -7.073
  648   H43A  SXR 101          H43A      SXR  42  -3.202  11.457  -6.469
  649   H43B  SXR 101          H43B      SXR  42  -3.726  12.577  -7.724
  650   H11A  SXR 101          H11A      SXR  42   2.456  10.883   0.326
  651   H10A  SXR 101          H10A      SXR  42   2.571   9.042   1.979
  652    H9A  SXR 101           H9A      SXR  42   1.281   6.956   1.601
  653    H8A  SXR 101           H8A      SXR  42  -0.124   6.724  -0.418
  654    H7A  SXR 101           H7A      SXR  42  -0.248   8.571  -2.063
  655    H5A  SXR 101           H5A      SXR  42   1.739  11.776  -2.075
  656    H5B  SXR 101           H5B      SXR  42   1.635  10.395  -2.670
  657    H4A  SXR 101           H4A      SXR  42  -0.852  10.610  -3.267
  658    H4B  SXR 101           H4B      SXR  42  -0.765  10.568  -1.754
  659    H2A  SXR 101           H2A      SXR  42  -2.954  13.160  -3.188
  660    H2B  SXR 101           H2B      SXR  42  -1.843  14.151  -2.987
  661    H1A  SXR 101           H1A      SXR  42  -0.539  13.060  -5.310
  662    H1B  SXR 101           H1B      SXR  42  -1.563  12.028  -4.842
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1 -21.479  -8.685   0.993
    2    H2   MET   1           HT2      MET   1 -20.450  -7.590   0.140
    3    H3   MET   1           HT3      MET   1 -20.497  -7.598   1.816
    4    HA   MET   1           HA       MET   1 -19.410  -9.559   2.045
    5    HB2  MET   1           HB2      MET   1 -20.531 -10.793   0.211
    6    HB3  MET   1           HB1      MET   1 -19.636  -9.858  -0.976
    7    HG2  MET   1           HG2      MET   1 -17.542 -10.818  -0.133
    8    HG3  MET   1           HG1      MET   1 -18.466 -11.782   1.026
    9    HE1  MET   1           HE1      MET   1 -17.581 -11.196  -2.771
   10    HE2  MET   1           HE2      MET   1 -19.327 -10.937  -2.763
   11    HE3  MET   1           HE3      MET   1 -18.652 -12.351  -3.561
   12    H    ALA   2           HN       ALA   2 -17.769  -8.187   2.718
   13    HA   ALA   2           HA       ALA   2 -16.502  -6.496   0.796
   14    HB1  ALA   2           HB1      ALA   2 -16.955  -5.725   3.071
   15    HB2  ALA   2           HB2      ALA   2 -15.229  -5.669   2.701
   16    HB3  ALA   2           HB3      ALA   2 -15.871  -6.964   3.705
   17    H    THR   3           HN       THR   3 -15.064  -7.319  -0.545
   18    HA   THR   3           HA       THR   3 -13.563  -9.683  -0.016
   19    HB   THR   3           HB       THR   3 -13.331  -7.719  -2.311
   20    HG1  THR   3           HG1      THR   3 -15.004 -10.019  -2.055
   21   HG21  THR   3          HG21      THR   3 -12.587  -9.692  -3.582
   22   HG22  THR   3          HG22      THR   3 -12.730 -10.693  -2.125
   23   HG23  THR   3          HG23      THR   3 -11.534  -9.407  -2.202
   24    H    LEU   4           HN       LEU   4 -12.366  -8.884   1.864
   25    HA   LEU   4           HA       LEU   4 -10.462  -6.749   1.579
   26    HB2  LEU   4           HB2      LEU   4 -11.107  -8.630   3.830
   27    HB3  LEU   4           HB1      LEU   4  -9.593  -7.760   3.835
   28    HG   LEU   4           HG       LEU   4 -10.843  -5.635   3.802
   29   HD11  LEU   4          HD11      LEU   4 -13.289  -7.361   4.099
   30   HD12  LEU   4          HD12      LEU   4 -12.868  -6.369   2.704
   31   HD13  LEU   4          HD13      LEU   4 -13.222  -5.606   4.253
   32   HD21  LEU   4          HD21      LEU   4 -11.637  -5.767   6.099
   33   HD22  LEU   4          HD22      LEU   4 -10.102  -6.590   5.883
   34   HD23  LEU   4          HD23      LEU   4 -11.596  -7.527   6.016
   35    H    LEU   5           HN       LEU   5  -8.375  -6.800   1.392
   36    HA   LEU   5           HA       LEU   5  -7.072  -9.281   0.582
   37    HB2  LEU   5           HB2      LEU   5  -5.221  -7.833  -0.234
   38    HB3  LEU   5           HB1      LEU   5  -6.737  -7.469  -1.015
   39    HG   LEU   5           HG       LEU   5  -5.903  -5.747   1.300
   40   HD11  LEU   5          HD11      LEU   5  -3.875  -5.966  -0.099
   41   HD12  LEU   5          HD12      LEU   5  -4.564  -4.353  -0.222
   42   HD13  LEU   5          HD13      LEU   5  -4.824  -5.529  -1.517
   43   HD21  LEU   5          HD21      LEU   5  -7.279  -5.230  -1.341
   44   HD22  LEU   5          HD22      LEU   5  -6.907  -4.004  -0.151
   45   HD23  LEU   5          HD23      LEU   5  -8.083  -5.240   0.228
   46    H    THR   6           HN       THR   6  -4.879  -9.656   1.454
   47    HA   THR   6           HA       THR   6  -4.910  -8.834   4.239
   48    HB   THR   6           HB       THR   6  -3.576 -10.913   4.714
   49    HG1  THR   6           HG1      THR   6  -3.882 -11.209   1.941
   50   HG21  THR   6          HG21      THR   6  -6.322 -11.310   3.505
   51   HG22  THR   6          HG22      THR   6  -5.981 -10.805   5.166
   52   HG23  THR   6          HG23      THR   6  -5.522 -12.411   4.626
   53    H    THR   7           HN       THR   7  -2.413  -9.533   5.110
   54    HA   THR   7           HA       THR   7  -0.933  -7.272   4.449
   55    HB   THR   7           HB       THR   7   0.141  -9.762   5.796
   56    HG1  THR   7           HG1      THR   7  -0.653  -8.311   7.680
   57   HG21  THR   7          HG21      THR   7   1.439  -8.075   7.060
   58   HG22  THR   7          HG22      THR   7   0.678  -6.802   6.111
   59   HG23  THR   7          HG23      THR   7   1.749  -7.966   5.327
   60    H    ASP   8           HN       ASP   8  -0.718 -10.656   3.346
   61    HA   ASP   8           HA       ASP   8   1.827 -10.307   2.131
   62    HB2  ASP   8           HB2      ASP   8  -0.153 -12.554   2.094
   63    HB3  ASP   8           HB1      ASP   8   1.186 -12.531   0.952
   64    H    ASP   9           HN       ASP   9  -1.367  -9.826   1.105
   65    HA   ASP   9           HA       ASP   9  -0.811  -9.766  -1.675
   66    HB2  ASP   9           HB2      ASP   9  -2.983  -8.328  -0.126
   67    HB3  ASP   9           HB1      ASP   9  -2.938  -8.582  -1.877
   68    H    LEU  10           HN       LEU  10  -0.850  -7.392   0.893
   69    HA   LEU  10           HA       LEU  10  -0.184  -5.145  -0.670
   70    HB2  LEU  10           HB2      LEU  10  -1.163  -4.916   1.541
   71    HB3  LEU  10           HB1      LEU  10   0.229  -5.679   2.276
   72    HG   LEU  10           HG       LEU  10   1.625  -3.745   1.649
   73   HD11  LEU  10          HD11      LEU  10  -0.949  -2.559   0.601
   74   HD12  LEU  10          HD12      LEU  10   0.463  -3.035  -0.357
   75   HD13  LEU  10          HD13      LEU  10   0.591  -1.714   0.793
   76   HD21  LEU  10          HD21      LEU  10  -0.893  -2.988   3.130
   77   HD22  LEU  10          HD22      LEU  10   0.647  -2.129   3.181
   78   HD23  LEU  10          HD23      LEU  10   0.535  -3.760   3.831
   79    H    ARG  11           HN       ARG  11   1.850  -7.354   1.241
   80    HA   ARG  11           HA       ARG  11   4.240  -5.983   0.679
   81    HB2  ARG  11           HB2      ARG  11   5.496  -8.035   1.376
   82    HB3  ARG  11           HB1      ARG  11   4.287  -7.496   2.542
   83    HG2  ARG  11           HG2      ARG  11   2.801  -9.267   1.785
   84    HG3  ARG  11           HG1      ARG  11   4.018  -9.793   0.622
   85    HD2  ARG  11           HD2      ARG  11   4.463  -9.676   3.613
   86    HD3  ARG  11           HD1      ARG  11   3.954 -11.143   2.800
   87    HE   ARG  11           HE       ARG  11   6.514  -9.778   2.410
   88   HH11  ARG  11          HH11      ARG  11   4.524 -12.766   2.437
   89   HH12  ARG  11          HH12      ARG  11   5.818 -13.789   2.133
   90   HH21  ARG  11          HH21      ARG  11   8.314 -11.247   1.964
   91   HH22  ARG  11          HH22      ARG  11   8.047 -12.916   1.815
   92    H    ARG  12           HN       ARG  12   2.591  -8.432  -1.142
   93    HA   ARG  12           HA       ARG  12   4.659  -8.827  -3.068
   94    HB2  ARG  12           HB2      ARG  12   1.684  -9.296  -3.178
   95    HB3  ARG  12           HB1      ARG  12   2.734  -9.607  -4.549
   96    HG2  ARG  12           HG2      ARG  12   3.904 -11.305  -3.323
   97    HG3  ARG  12           HG1      ARG  12   2.990 -10.918  -1.848
   98    HD2  ARG  12           HD2      ARG  12   0.938 -11.582  -2.894
   99    HD3  ARG  12           HD1      ARG  12   1.752 -11.829  -4.433
  100    HE   ARG  12           HE       ARG  12   3.038 -13.621  -3.146
  101   HH11  ARG  12          HH11      ARG  12  -0.305 -12.764  -2.255
  102   HH12  ARG  12          HH12      ARG  12  -0.783 -14.361  -1.950
  103   HH21  ARG  12          HH21      ARG  12   2.327 -15.847  -2.786
  104   HH22  ARG  12          HH22      ARG  12   0.716 -16.156  -2.304
  105    H    ALA  13           HN       ALA  13   1.823  -6.689  -2.947
  106    HA   ALA  13           HA       ALA  13   2.128  -5.644  -5.540
  107    HB1  ALA  13           HB1      ALA  13   0.032  -5.550  -4.278
  108    HB2  ALA  13           HB2      ALA  13   0.522  -3.963  -4.874
  109    HB3  ALA  13           HB3      ALA  13   0.755  -4.382  -3.179
  110    H    LEU  14           HN       LEU  14   3.605  -4.776  -2.519
  111    HA   LEU  14           HA       LEU  14   4.527  -2.212  -3.346
  112    HB2  LEU  14           HB2      LEU  14   4.341  -3.013  -0.983
  113    HB3  LEU  14           HB1      LEU  14   5.733  -4.028  -1.261
  114    HG   LEU  14           HG       LEU  14   7.093  -1.987  -1.717
  115   HD11  LEU  14          HD11      LEU  14   4.647  -0.534  -0.701
  116   HD12  LEU  14          HD12      LEU  14   5.286  -0.453  -2.346
  117   HD13  LEU  14          HD13      LEU  14   6.216   0.203  -1.005
  118   HD21  LEU  14          HD21      LEU  14   7.155  -3.037   0.477
  119   HD22  LEU  14          HD22      LEU  14   5.746  -2.112   0.972
  120   HD23  LEU  14          HD23      LEU  14   7.258  -1.284   0.635
  121    H    VAL  15           HN       VAL  15   5.647  -5.456  -3.799
  122    HA   VAL  15           HA       VAL  15   8.285  -4.690  -4.602
  123    HB   VAL  15           HB       VAL  15   6.882  -7.368  -4.952
  124   HG11  VAL  15          HG11      VAL  15   8.762  -7.144  -6.512
  125   HG12  VAL  15          HG12      VAL  15   9.147  -8.298  -5.234
  126   HG13  VAL  15          HG13      VAL  15   9.815  -6.668  -5.179
  127   HG21  VAL  15          HG21      VAL  15   8.808  -6.403  -2.846
  128   HG22  VAL  15          HG22      VAL  15   8.199  -8.056  -3.003
  129   HG23  VAL  15          HG23      VAL  15   7.093  -6.743  -2.626
  130    H    GLU  16           HN       GLU  16   5.215  -5.174  -6.150
  131    HA   GLU  16           HA       GLU  16   5.880  -5.474  -8.855
  132    HB2  GLU  16           HB2      GLU  16   3.604  -3.897  -7.623
  133    HB3  GLU  16           HB1      GLU  16   3.754  -4.228  -9.323
  134    HG2  GLU  16           HG2      GLU  16   3.552  -6.346  -7.215
  135    HG3  GLU  16           HG1      GLU  16   2.168  -5.725  -8.109
  136    H    SER  17           HN       SER  17   5.572  -2.499  -6.941
  137    HA   SER  17           HA       SER  17   6.247  -0.831  -9.128
  138    HB2  SER  17           HB2      SER  17   6.437   0.869  -7.164
  139    HB3  SER  17           HB1      SER  17   4.861   0.209  -7.608
  140    HG   SER  17           HG       SER  17   6.523  -0.788  -5.490
  141    H    ALA  18           HN       ALA  18   8.092  -2.634  -6.881
  142    HA   ALA  18           HA       ALA  18  10.369  -0.883  -6.870
  143    HB1  ALA  18           HB1      ALA  18  10.137  -3.707  -5.806
  144    HB2  ALA  18           HB2      ALA  18   9.869  -2.208  -4.898
  145    HB3  ALA  18           HB3      ALA  18  11.473  -2.583  -5.515
  146    H    GLY  19           HN       GLY  19  10.088  -4.319  -8.068
  147    HA2  GLY  19           HA2      GLY  19  11.053  -3.868 -10.562
  148    HA3  GLY  19           HA1      GLY  19  12.489  -3.845  -9.559
  149    H    GLU  20           HN       GLU  20  13.406  -5.544 -10.393
  150    HA   GLU  20           HA       GLU  20  12.146  -8.014 -11.134
  151    HB2  GLU  20           HB2      GLU  20  14.060  -6.985 -12.264
  152    HB3  GLU  20           HB1      GLU  20  15.039  -7.252 -10.817
  153    HG2  GLU  20           HG2      GLU  20  15.680  -8.964 -12.213
  154    HG3  GLU  20           HG1      GLU  20  14.436  -9.732 -11.216
  155    H    THR  21           HN       THR  21  13.844  -6.861  -8.274
  156    HA   THR  21           HA       THR  21  13.972  -9.624  -7.311
  157    HB   THR  21           HB       THR  21  16.056  -8.799  -6.034
  158    HG1  THR  21           HG1      THR  21  16.160  -7.037  -8.260
  159   HG21  THR  21          HG21      THR  21  16.137 -10.509  -7.788
  160   HG22  THR  21          HG22      THR  21  17.498  -9.414  -7.944
  161   HG23  THR  21          HG23      THR  21  16.115  -9.257  -9.030
  162    H    ASP  22           HN       ASP  22  14.378  -9.791  -4.896
  163    HA   ASP  22           HA       ASP  22  12.441  -8.236  -3.474
  164    HB2  ASP  22           HB2      ASP  22  14.473 -10.188  -2.297
  165    HB3  ASP  22           HB1      ASP  22  13.001  -9.618  -1.549
  166    H    GLY  23           HN       GLY  23  13.385  -6.188  -3.747
  167    HA2  GLY  23           HA2      GLY  23  16.040  -5.623  -2.743
  168    HA3  GLY  23           HA1      GLY  23  14.864  -4.429  -3.266
  169    H    THR  24           HN       THR  24  12.819  -5.429  -1.502
  170    HA   THR  24           HA       THR  24  13.738  -4.148   0.952
  171    HB   THR  24           HB       THR  24  11.236  -4.026   1.317
  172    HG1  THR  24           HG1      THR  24  10.850  -5.673  -0.329
  173   HG21  THR  24          HG21      THR  24  12.536  -2.090   0.564
  174   HG22  THR  24          HG22      THR  24  10.956  -2.110  -0.231
  175   HG23  THR  24          HG23      THR  24  12.390  -2.624  -1.110
  176    H    ASP  25           HN       ASP  25  14.344  -5.641   2.498
  177    HA   ASP  25           HA       ASP  25  13.336  -8.290   2.712
  178    HB2  ASP  25           HB2      ASP  25  15.415  -7.686   3.891
  179    HB3  ASP  25           HB1      ASP  25  14.566  -6.498   4.859
  180    H    LEU  26           HN       LEU  26  11.243  -8.396   2.613
  181    HA   LEU  26           HA       LEU  26   9.643  -6.841   4.536
  182    HB2  LEU  26           HB2      LEU  26   9.752  -6.437   1.888
  183    HB3  LEU  26           HB1      LEU  26   8.476  -7.634   1.935
  184    HG   LEU  26           HG       LEU  26   7.292  -6.139   3.576
  185   HD11  LEU  26          HD11      LEU  26   9.385  -4.162   2.647
  186   HD12  LEU  26          HD12      LEU  26   9.230  -4.828   4.272
  187   HD13  LEU  26          HD13      LEU  26   7.965  -3.787   3.624
  188   HD21  LEU  26          HD21      LEU  26   6.648  -6.287   1.224
  189   HD22  LEU  26          HD22      LEU  26   7.843  -5.053   0.815
  190   HD23  LEU  26          HD23      LEU  26   6.471  -4.643   1.829
  191    H    SER  27           HN       SER  27  10.741  -9.588   4.678
  192    HA   SER  27           HA       SER  27   8.303 -11.182   4.491
  193    HB2  SER  27           HB2      SER  27  10.481 -12.016   3.496
  194    HB3  SER  27           HB1      SER  27  11.154 -12.073   5.115
  195    HG   SER  27           HG       SER  27  10.263 -13.929   5.340
  196    H    GLY  28           HN       GLY  28   9.137  -9.037   6.417
  197    HA2  GLY  28           HA2      GLY  28   8.539 -10.461   8.905
  198    HA3  GLY  28           HA1      GLY  28   9.692  -9.127   8.856
  199    H    ASP  29           HN       ASP  29   7.818  -8.531  10.522
  200    HA   ASP  29           HA       ASP  29   5.488  -7.511   9.215
  201    HB2  ASP  29           HB2      ASP  29   6.355  -7.423  12.084
  202    HB3  ASP  29           HB1      ASP  29   4.886  -6.626  11.527
  203    H    PHE  30           HN       PHE  30   6.164  -6.017   7.799
  204    HA   PHE  30           HA       PHE  30   7.626  -3.697   8.526
  205    HB2  PHE  30           HB2      PHE  30   7.342  -3.129   6.208
  206    HB3  PHE  30           HB1      PHE  30   7.879  -4.784   6.348
  207    HD1  PHE  30           HD1      PHE  30   6.183  -6.677   5.997
  208    HD2  PHE  30           HD2      PHE  30   5.257  -2.611   5.099
  209    HE1  PHE  30           HE1      PHE  30   4.289  -7.402   4.631
  210    HE2  PHE  30           HE2      PHE  30   3.374  -3.345   3.739
  211    HZ   PHE  30           HZ       PHE  30   2.870  -5.736   3.505
  212    H    LEU  31           HN       LEU  31   4.542  -4.589   9.073
  213    HA   LEU  31           HA       LEU  31   3.063  -2.379   8.116
  214    HB2  LEU  31           HB2      LEU  31   2.435  -4.251  10.395
  215    HB3  LEU  31           HB1      LEU  31   1.317  -3.069   9.749
  216    HG   LEU  31           HG       LEU  31   2.482  -5.401   8.230
  217   HD11  LEU  31          HD11      LEU  31   0.884  -6.101   9.913
  218   HD12  LEU  31          HD12      LEU  31   0.215  -6.269   8.289
  219   HD13  LEU  31          HD13      LEU  31  -0.275  -4.909   9.303
  220   HD21  LEU  31          HD21      LEU  31   0.845  -4.789   6.492
  221   HD22  LEU  31          HD22      LEU  31   2.049  -3.529   6.734
  222   HD23  LEU  31          HD23      LEU  31   0.429  -3.342   7.408
  223    H    ASP  32           HN       ASP  32   5.092  -2.758  10.880
  224    HA   ASP  32           HA       ASP  32   4.138  -0.210  12.007
  225    HB2  ASP  32           HB2      ASP  32   4.182  -2.339  13.464
  226    HB3  ASP  32           HB1      ASP  32   5.940  -2.246  13.351
  227    H    LEU  33           HN       LEU  33   6.063  -1.090   9.776
  228    HA   LEU  33           HA       LEU  33   8.485   0.316  10.549
  229    HB2  LEU  33           HB2      LEU  33   7.675  -1.498   8.339
  230    HB3  LEU  33           HB1      LEU  33   9.090  -0.580   8.040
  231    HG   LEU  33           HG       LEU  33   8.655  -2.713  10.121
  232   HD11  LEU  33          HD11      LEU  33   9.205  -3.451   7.878
  233   HD12  LEU  33          HD12      LEU  33  10.548  -3.751   8.982
  234   HD13  LEU  33          HD13      LEU  33  10.619  -2.396   7.848
  235   HD21  LEU  33          HD21      LEU  33  10.995  -0.842   9.841
  236   HD22  LEU  33          HD22      LEU  33  10.976  -2.305  10.822
  237   HD23  LEU  33          HD23      LEU  33   9.902  -0.958  11.233
  238    H    ARG  34           HN       ARG  34   9.302   1.875   8.808
  239    HA   ARG  34           HA       ARG  34   7.019   3.574   8.078
  240    HB2  ARG  34           HB2      ARG  34   9.910   4.257   8.553
  241    HB3  ARG  34           HB1      ARG  34   8.755   5.399   7.897
  242    HG2  ARG  34           HG2      ARG  34   7.444   5.214   9.942
  243    HG3  ARG  34           HG1      ARG  34   8.637   4.082  10.598
  244    HD2  ARG  34           HD2      ARG  34   9.254   6.888   9.711
  245    HD3  ARG  34           HD1      ARG  34   8.980   6.406  11.389
  246    HE   ARG  34           HE       ARG  34  10.925   4.767  10.779
  247   HH11  ARG  34          HH11      ARG  34  10.722   8.167   9.610
  248   HH12  ARG  34          HH12      ARG  34  12.373   8.463   9.880
  249   HH21  ARG  34          HH21      ARG  34  13.286   5.245  10.960
  250   HH22  ARG  34          HH22      ARG  34  13.805   6.833  10.587
  251    H    PHE  35           HN       PHE  35   6.907   4.500   6.016
  252    HA   PHE  35           HA       PHE  35   7.863   2.976   3.857
  253    HB2  PHE  35           HB2      PHE  35   6.879   5.839   3.883
  254    HB3  PHE  35           HB1      PHE  35   7.101   4.880   2.423
  255    HD1  PHE  35           HD2      PHE  35   5.854   2.455   2.624
  256    HD2  PHE  35           HD1      PHE  35   4.661   6.050   4.641
  257    HE1  PHE  35           HE2      PHE  35   3.547   1.613   2.833
  258    HE2  PHE  35           HE1      PHE  35   2.409   5.184   4.839
  259    HZ   PHE  35           HZ       PHE  35   1.841   2.974   3.943
  260    H    GLU  36           HN       GLU  36   9.127   5.725   5.524
  261    HA   GLU  36           HA       GLU  36  11.159   6.674   3.849
  262    HB2  GLU  36           HB2      GLU  36  11.173   6.467   6.850
  263    HB3  GLU  36           HB1      GLU  36  12.169   7.523   5.883
  264    HG2  GLU  36           HG2      GLU  36  10.216   8.778   5.185
  265    HG3  GLU  36           HG1      GLU  36   9.168   7.664   6.060
  266    H    ASP  37           HN       ASP  37  11.226   4.114   6.318
  267    HA   ASP  37           HA       ASP  37  14.039   3.724   6.307
  268    HB2  ASP  37           HB2      ASP  37  12.412   3.083   8.170
  269    HB3  ASP  37           HB1      ASP  37  11.934   1.712   7.184
  270    H    ILE  38           HN       ILE  38  11.395   2.285   4.513
  271    HA   ILE  38           HA       ILE  38  13.181   0.347   3.305
  272    HB   ILE  38           HB       ILE  38  11.188  -0.540   2.109
  273   HG12  ILE  38          HG12      ILE  38   9.705   1.550   3.723
  274   HG13  ILE  38          HG11      ILE  38   9.889   1.543   1.973
  275   HG21  ILE  38          HG21      ILE  38  11.871  -1.461   4.250
  276   HG22  ILE  38          HG22      ILE  38  10.117  -1.505   4.065
  277   HG23  ILE  38          HG23      ILE  38  10.863  -0.280   5.103
  278   HD11  ILE  38          HD11      ILE  38   7.673   0.785   2.622
  279   HD12  ILE  38          HD12      ILE  38   8.387  -0.503   3.591
  280   HD13  ILE  38          HD13      ILE  38   8.591  -0.495   1.833
  281    H    GLY  39           HN       GLY  39  12.962   3.413   2.764
  282    HA2  GLY  39           HA2      GLY  39  13.748   4.706   1.035
  283    HA3  GLY  39           HA1      GLY  39  14.077   3.220   0.175
  284    H    TYR  40           HN       TYR  40  10.882   4.350   1.244
  285    HA   TYR  40           HA       TYR  40  10.201   4.636  -1.578
  286    HB2  TYR  40           HB2      TYR  40   8.618   3.402   0.639
  287    HB3  TYR  40           HB1      TYR  40   7.776   4.275  -0.625
  288    HD1  TYR  40           HD2      TYR  40   9.871   1.287   0.057
  289    HD2  TYR  40           HD1      TYR  40   7.612   3.467  -2.811
  290    HE1  TYR  40           HE2      TYR  40   9.929  -0.632  -1.437
  291    HE2  TYR  40           HE1      TYR  40   7.647   1.558  -4.316
  292    HH   TYR  40           HH       TYR  40   8.464  -1.524  -3.418
  293    H    ASP  41           HN       ASP  41  10.019   6.645  -2.177
  294    HA   ASP  41           HA       ASP  41   9.026   8.696  -0.406
  295    HB2  ASP  41           HB2      ASP  41   9.230   8.879  -3.452
  296    HB3  ASP  41           HB1      ASP  41   9.044  10.190  -2.331
  297    H    SER  42           HN       SER  42   7.129  10.017  -1.427
  298    HA   SER  42           HA       SER  42   4.819   8.415  -1.423
  299    HB2  SER  42           HB2      SER  42   3.822  10.699  -2.094
  300    HB3  SER  42           HB1      SER  42   4.719  10.638  -0.567
  301    H    LEU  43           HN       LEU  43   6.826   9.812  -3.867
  302    HA   LEU  43           HA       LEU  43   5.293   9.698  -6.182
  303    HB2  LEU  43           HB2      LEU  43   7.422  10.787  -6.178
  304    HB3  LEU  43           HB1      LEU  43   8.263   9.296  -5.777
  305    HG   LEU  43           HG       LEU  43   6.817   9.420  -8.394
  306   HD11  LEU  43          HD11      LEU  43   9.482  10.707  -7.853
  307   HD12  LEU  43          HD12      LEU  43   7.991  11.577  -8.266
  308   HD13  LEU  43          HD13      LEU  43   8.742  10.483  -9.444
  309   HD21  LEU  43          HD21      LEU  43   7.997   7.363  -7.684
  310   HD22  LEU  43          HD22      LEU  43   9.491   8.291  -7.541
  311   HD23  LEU  43          HD23      LEU  43   8.729   8.083  -9.124
  312    H    ALA  44           HN       ALA  44   7.452   7.212  -4.940
  313    HA   ALA  44           HA       ALA  44   6.679   5.273  -6.898
  314    HB1  ALA  44           HB1      ALA  44   8.206   4.933  -4.319
  315    HB2  ALA  44           HB2      ALA  44   8.908   5.314  -5.888
  316    HB3  ALA  44           HB3      ALA  44   8.118   3.756  -5.632
  317    H    LEU  45           HN       LEU  45   5.640   6.199  -3.757
  318    HA   LEU  45           HA       LEU  45   4.257   3.834  -3.085
  319    HB2  LEU  45           HB2      LEU  45   5.040   5.928  -1.703
  320    HB3  LEU  45           HB1      LEU  45   3.424   6.511  -2.064
  321    HG   LEU  45           HG       LEU  45   3.995   3.900  -0.659
  322   HD11  LEU  45          HD11      LEU  45   4.824   5.708   0.680
  323   HD12  LEU  45          HD12      LEU  45   3.363   5.035   1.391
  324   HD13  LEU  45          HD13      LEU  45   3.298   6.576   0.517
  325   HD21  LEU  45          HD21      LEU  45   1.460   5.515  -0.913
  326   HD22  LEU  45          HD22      LEU  45   1.660   4.022   0.014
  327   HD23  LEU  45          HD23      LEU  45   1.813   4.002  -1.748
  328    H    MET  46           HN       MET  46   3.293   6.837  -4.900
  329    HA   MET  46           HA       MET  46   0.584   6.273  -5.188
  330    HB2  MET  46           HB2      MET  46   2.356   7.202  -7.442
  331    HB3  MET  46           HB1      MET  46   0.616   7.352  -7.373
  332    HG2  MET  46           HG2      MET  46   1.004   8.777  -5.301
  333    HG3  MET  46           HG1      MET  46   2.691   8.811  -5.833
  334    HE1  MET  46           HE1      MET  46   3.407   9.572  -8.414
  335    HE2  MET  46           HE2      MET  46   2.229  10.244  -9.537
  336    HE3  MET  46           HE3      MET  46   2.116   8.555  -9.056
  337    H    GLU  47           HN       GLU  47   3.249   5.053  -7.149
  338    HA   GLU  47           HA       GLU  47   1.810   3.519  -8.951
  339    HB2  GLU  47           HB2      GLU  47   4.635   3.283  -7.938
  340    HB3  GLU  47           HB1      GLU  47   3.983   2.291  -9.246
  341    HG2  GLU  47           HG2      GLU  47   4.218   5.317  -9.243
  342    HG3  GLU  47           HG1      GLU  47   5.260   4.176 -10.073
  343    H    THR  48           HN       THR  48   3.013   2.675  -5.744
  344    HA   THR  48           HA       THR  48   2.429  -0.067  -5.784
  345    HB   THR  48           HB       THR  48   2.327   1.864  -3.461
  346    HG1  THR  48           HG1      THR  48   4.487   0.552  -4.789
  347   HG21  THR  48          HG21      THR  48   2.926  -0.101  -2.108
  348   HG22  THR  48          HG22      THR  48   2.844  -1.127  -3.542
  349   HG23  THR  48          HG23      THR  48   1.385  -0.344  -2.929
  350    H    ALA  49           HN       ALA  49   0.559   2.688  -4.491
  351    HA   ALA  49           HA       ALA  49  -1.701   1.243  -3.671
  352    HB1  ALA  49           HB1      ALA  49  -1.168   3.492  -2.862
  353    HB2  ALA  49           HB2      ALA  49  -2.809   3.407  -3.506
  354    HB3  ALA  49           HB3      ALA  49  -1.525   4.157  -4.458
  355    H    ALA  50           HN       ALA  50  -0.947   2.825  -6.729
  356    HA   ALA  50           HA       ALA  50  -3.413   2.685  -7.990
  357    HB1  ALA  50           HB1      ALA  50  -0.699   2.395  -9.260
  358    HB2  ALA  50           HB2      ALA  50  -1.504   3.922  -8.865
  359    HB3  ALA  50           HB3      ALA  50  -2.190   2.849 -10.086
  360    H    ARG  51           HN       ARG  51  -0.999   0.204  -7.517
  361    HA   ARG  51           HA       ARG  51  -2.023  -1.664  -9.444
  362    HB2  ARG  51           HB2      ARG  51  -0.424  -2.298  -6.952
  363    HB3  ARG  51           HB1      ARG  51  -0.637  -3.340  -8.344
  364    HG2  ARG  51           HG2      ARG  51   0.831  -0.706  -8.329
  365    HG3  ARG  51           HG1      ARG  51   1.566  -2.303  -8.326
  366    HD2  ARG  51           HD2      ARG  51   0.580  -2.766 -10.529
  367    HD3  ARG  51           HD1      ARG  51  -0.241  -1.214 -10.501
  368    HE   ARG  51           HE       ARG  51   2.325  -0.507 -10.186
  369   HH11  ARG  51          HH11      ARG  51   0.740  -2.559 -12.636
  370   HH12  ARG  51          HH12      ARG  51   1.829  -2.115 -13.871
  371   HH21  ARG  51          HH21      ARG  51   3.863   0.013 -11.911
  372   HH22  ARG  51          HH22      ARG  51   3.714  -0.758 -13.399
  373    H    LEU  52           HN       LEU  52  -2.597  -1.110  -6.039
  374    HA   LEU  52           HA       LEU  52  -4.261  -3.409  -5.671
  375    HB2  LEU  52           HB2      LEU  52  -3.905  -0.936  -3.983
  376    HB3  LEU  52           HB1      LEU  52  -4.801  -2.355  -3.502
  377    HG   LEU  52           HG       LEU  52  -1.852  -2.304  -4.124
  378   HD11  LEU  52          HD11      LEU  52  -1.558  -2.625  -1.705
  379   HD12  LEU  52          HD12      LEU  52  -3.296  -2.466  -1.485
  380   HD13  LEU  52          HD13      LEU  52  -2.354  -1.091  -2.065
  381   HD21  LEU  52          HD21      LEU  52  -1.857  -4.568  -3.178
  382   HD22  LEU  52          HD22      LEU  52  -2.865  -4.457  -4.619
  383   HD23  LEU  52          HD23      LEU  52  -3.614  -4.483  -3.018
  384    H    GLU  53           HN       GLU  53  -4.835   0.040  -6.266
  385    HA   GLU  53           HA       GLU  53  -7.643   0.019  -6.049
  386    HB2  GLU  53           HB2      GLU  53  -5.976   1.648  -7.976
  387    HB3  GLU  53           HB1      GLU  53  -7.625   1.978  -7.515
  388    HG2  GLU  53           HG2      GLU  53  -6.847   2.406  -5.202
  389    HG3  GLU  53           HG1      GLU  53  -5.181   2.210  -5.771
  390    H    SER  54           HN       SER  54  -5.519  -0.568  -8.811
  391    HA   SER  54           HA       SER  54  -7.596  -0.956 -10.685
  392    HB2  SER  54           HB2      SER  54  -4.731  -1.917 -10.833
  393    HB3  SER  54           HB1      SER  54  -5.872  -1.756 -12.174
  394    HG   SER  54           HG       SER  54  -4.706   0.306 -10.595
  395    H    ARG  55           HN       ARG  55  -5.860  -3.238  -8.600
  396    HA   ARG  55           HA       ARG  55  -6.787  -5.544  -9.984
  397    HB2  ARG  55           HB2      ARG  55  -4.716  -5.665  -8.758
  398    HB3  ARG  55           HB1      ARG  55  -5.538  -5.284  -7.259
  399    HG2  ARG  55           HG2      ARG  55  -6.670  -7.419  -7.260
  400    HG3  ARG  55           HG1      ARG  55  -6.041  -7.777  -8.869
  401    HD2  ARG  55           HD2      ARG  55  -4.321  -7.355  -6.434
  402    HD3  ARG  55           HD1      ARG  55  -4.837  -8.937  -7.019
  403    HE   ARG  55           HE       ARG  55  -3.662  -7.619  -9.162
  404   HH11  ARG  55          HH11      ARG  55  -2.562  -8.922  -6.029
  405   HH12  ARG  55          HH12      ARG  55  -0.979  -9.188  -6.617
  406   HH21  ARG  55          HH21      ARG  55  -1.561  -7.997  -9.869
  407   HH22  ARG  55          HH22      ARG  55  -0.366  -8.658  -8.842
  408    H    TYR  56           HN       TYR  56  -8.022  -3.842  -7.170
  409    HA   TYR  56           HA       TYR  56 -10.153  -5.852  -7.072
  410    HB2  TYR  56           HB2      TYR  56  -9.326  -3.807  -5.010
  411    HB3  TYR  56           HB1      TYR  56 -10.742  -4.840  -4.840
  412    HD1  TYR  56           HD1      TYR  56 -10.488  -7.237  -4.426
  413    HD2  TYR  56           HD2      TYR  56  -7.089  -4.713  -4.782
  414    HE1  TYR  56           HE1      TYR  56  -9.080  -9.006  -3.471
  415    HE2  TYR  56           HE2      TYR  56  -5.673  -6.474  -3.826
  416    HH   TYR  56           HH       TYR  56  -6.739  -9.698  -3.375
  417    H    GLY  57           HN       GLY  57  -9.597  -2.625  -8.034
  418    HA2  GLY  57           HA2      GLY  57 -11.055  -1.393  -9.342
  419    HA3  GLY  57           HA1      GLY  57 -12.391  -2.387  -8.797
  420    H    VAL  58           HN       VAL  58  -9.970  -0.666  -6.891
  421    HA   VAL  58           HA       VAL  58 -12.222   0.636  -5.539
  422    HB   VAL  58           HB       VAL  58 -11.129   0.627  -3.480
  423   HG11  VAL  58          HG11      VAL  58 -10.129  -1.855  -4.784
  424   HG12  VAL  58          HG12      VAL  58 -11.749  -1.637  -4.072
  425   HG13  VAL  58          HG13      VAL  58 -10.319  -1.642  -3.047
  426   HG21  VAL  58          HG21      VAL  58  -8.761   0.173  -3.053
  427   HG22  VAL  58          HG22      VAL  58  -8.978   1.578  -4.090
  428   HG23  VAL  58          HG23      VAL  58  -8.456   0.038  -4.795
  429    H    SER  59           HN       SER  59 -11.160   2.766  -4.261
  430    HA   SER  59           HA       SER  59  -9.391   4.212  -6.007
  431    HB2  SER  59           HB2      SER  59 -12.183   5.178  -5.334
  432    HB3  SER  59           HB1      SER  59 -10.946   6.121  -6.183
  433    HG   SER  59           HG       SER  59 -11.108   3.905  -7.486
  434    H    ILE  60           HN       ILE  60  -8.052   5.301  -4.729
  435    HA   ILE  60           HA       ILE  60  -8.610   5.441  -1.875
  436    HB   ILE  60           HB       ILE  60  -6.163   6.332  -3.433
  437   HG12  ILE  60          HG12      ILE  60  -6.451   3.920  -3.628
  438   HG13  ILE  60          HG11      ILE  60  -5.104   4.256  -2.558
  439   HG21  ILE  60          HG21      ILE  60  -4.997   6.357  -1.268
  440   HG22  ILE  60          HG22      ILE  60  -6.530   6.004  -0.452
  441   HG23  ILE  60          HG23      ILE  60  -6.331   7.513  -1.322
  442   HD11  ILE  60          HD11      ILE  60  -6.511   3.804  -0.612
  443   HD12  ILE  60          HD12      ILE  60  -6.459   2.433  -1.721
  444   HD13  ILE  60          HD13      ILE  60  -7.882   3.468  -1.670
  445    HA   PRO  61           HA       PRO  61 -10.220   9.570  -2.357
  446    HB2  PRO  61           HB2      PRO  61 -10.045   9.783   0.570
  447    HB3  PRO  61           HB1      PRO  61 -11.474   9.810  -0.465
  448    HG2  PRO  61           HG2      PRO  61 -10.925   7.713   1.135
  449    HG3  PRO  61           HG1      PRO  61 -11.707   7.507  -0.440
  450    HD2  PRO  61           HD2      PRO  61  -8.850   7.098   0.327
  451    HD3  PRO  61           HD1      PRO  61  -9.884   6.081  -0.695
  452    H    ASP  62           HN       ASP  62  -9.240  11.471  -2.625
  453    HA   ASP  62           HA       ASP  62  -6.496  11.844  -2.449
  454    HB2  ASP  62           HB2      ASP  62  -6.956  14.192  -3.058
  455    HB3  ASP  62           HB1      ASP  62  -7.914  13.086  -4.022
  456    H    ASP  63           HN       ASP  63  -9.026  13.019  -0.358
  457    HA   ASP  63           HA       ASP  63  -7.491  14.575   1.415
  458    HB2  ASP  63           HB2      ASP  63  -9.868  14.874   1.314
  459    HB3  ASP  63           HB1      ASP  63 -10.154  13.189   1.698
  460    H    VAL  64           HN       VAL  64  -8.278  11.169   1.441
  461    HA   VAL  64           HA       VAL  64  -7.326  10.784   4.161
  462    HB   VAL  64           HB       VAL  64  -8.371   8.747   2.165
  463   HG11  VAL  64          HG11      VAL  64  -8.728   7.278   4.078
  464   HG12  VAL  64          HG12      VAL  64  -7.945   8.455   5.144
  465   HG13  VAL  64          HG13      VAL  64  -7.019   7.660   3.878
  466   HG21  VAL  64          HG21      VAL  64 -10.454   8.856   3.452
  467   HG22  VAL  64          HG22      VAL  64 -10.035  10.413   2.723
  468   HG23  VAL  64          HG23      VAL  64  -9.754  10.139   4.443
  469    H    ALA  65           HN       ALA  65  -6.111  10.341   0.959
  470    HA   ALA  65           HA       ALA  65  -4.259   8.296   1.243
  471    HB1  ALA  65           HB1      ALA  65  -3.183   9.147  -0.748
  472    HB2  ALA  65           HB2      ALA  65  -3.970  10.711  -0.552
  473    HB3  ALA  65           HB3      ALA  65  -4.931   9.284  -0.903
  474    H    GLY  66           HN       GLY  66  -3.697  11.763   1.839
  475    HA2  GLY  66           HA2      GLY  66  -0.889  11.220   2.354
  476    HA3  GLY  66           HA1      GLY  66  -1.653  12.793   2.372
  477    H    ARG  67           HN       ARG  67  -2.665   9.941   4.234
  478    HA   ARG  67           HA       ARG  67  -1.803  11.357   6.666
  479    HB2  ARG  67           HB2      ARG  67  -4.422   9.900   6.254
  480    HB3  ARG  67           HB1      ARG  67  -3.845  10.446   7.819
  481    HG2  ARG  67           HG2      ARG  67  -3.793  12.746   6.964
  482    HG3  ARG  67           HG1      ARG  67  -4.428  12.177   5.432
  483    HD2  ARG  67           HD2      ARG  67  -6.481  11.463   6.548
  484    HD3  ARG  67           HD1      ARG  67  -5.812  11.977   8.099
  485    HE   ARG  67           HE       ARG  67  -5.645  14.221   7.102
  486   HH11  ARG  67          HH11      ARG  67  -8.217  11.977   6.118
  487   HH12  ARG  67          HH12      ARG  67  -9.135  13.186   5.320
  488   HH21  ARG  67          HH21      ARG  67  -7.024  15.887   6.031
  489   HH22  ARG  67          HH22      ARG  67  -8.440  15.365   5.224
  490    H    VAL  68           HN       VAL  68  -1.092   8.801   4.901
  491    HA   VAL  68           HA       VAL  68  -0.933   6.909   7.130
  492    HB   VAL  68           HB       VAL  68  -0.423   5.184   5.406
  493   HG11  VAL  68          HG11      VAL  68  -2.705   5.514   6.171
  494   HG12  VAL  68          HG12      VAL  68  -2.666   5.049   4.466
  495   HG13  VAL  68          HG13      VAL  68  -2.961   6.734   4.919
  496   HG21  VAL  68          HG21      VAL  68  -0.821   5.667   3.018
  497   HG22  VAL  68          HG22      VAL  68   0.527   6.609   3.657
  498   HG23  VAL  68          HG23      VAL  68  -1.045   7.374   3.416
  499    H    ASP  69           HN       ASP  69   0.941   6.734   8.187
  500    HA   ASP  69           HA       ASP  69   3.348   7.246   6.596
  501    HB2  ASP  69           HB2      ASP  69   4.605   7.907   8.604
  502    HB3  ASP  69           HB1      ASP  69   3.183   8.924   8.396
  503    H    THR  70           HN       THR  70   1.617   4.959   8.311
  504    HA   THR  70           HA       THR  70   3.874   3.117   7.967
  505    HB   THR  70           HB       THR  70   2.707   1.639   9.665
  506    HG1  THR  70           HG1      THR  70   1.145   3.984   9.930
  507   HG21  THR  70          HG21      THR  70   3.530   2.895  11.620
  508   HG22  THR  70          HG22      THR  70   3.672   4.341  10.621
  509   HG23  THR  70          HG23      THR  70   4.677   2.926  10.282
  510    HA   PRO  71           HA       PRO  71   1.613   0.906   4.812
  511    HB2  PRO  71           HB2      PRO  71   2.726  -1.541   6.094
  512    HB3  PRO  71           HB1      PRO  71   2.859  -1.004   4.414
  513    HG2  PRO  71           HG2      PRO  71   4.942  -0.805   6.030
  514    HG3  PRO  71           HG1      PRO  71   4.548   0.530   4.918
  515    HD2  PRO  71           HD2      PRO  71   4.008   0.270   7.852
  516    HD3  PRO  71           HD1      PRO  71   4.623   1.672   6.941
  517    H    ARG  72           HN       ARG  72   1.349   0.073   8.118
  518    HA   ARG  72           HA       ARG  72  -0.750  -1.817   8.077
  519    HB2  ARG  72           HB2      ARG  72   0.655  -1.375  10.005
  520    HB3  ARG  72           HB1      ARG  72   0.023   0.253  10.140
  521    HG2  ARG  72           HG2      ARG  72  -2.203  -0.706  10.639
  522    HG3  ARG  72           HG1      ARG  72  -1.466  -2.319  10.583
  523    HD2  ARG  72           HD2      ARG  72  -1.608  -1.450  12.886
  524    HD3  ARG  72           HD1      ARG  72   0.060  -1.715  12.365
  525    HE   ARG  72           HE       ARG  72  -1.220   0.908  12.212
  526   HH11  ARG  72          HH11      ARG  72   1.402  -1.121  13.559
  527   HH12  ARG  72          HH12      ARG  72   2.448   0.130  14.017
  528   HH21  ARG  72          HH21      ARG  72   0.242   2.712  12.819
  529   HH22  ARG  72          HH22      ARG  72   1.738   2.408  13.569
  530    H    GLU  73           HN       GLU  73  -0.662   1.731   8.210
  531    HA   GLU  73           HA       GLU  73  -3.464   2.101   8.473
  532    HB2  GLU  73           HB2      GLU  73  -1.359   4.000   7.471
  533    HB3  GLU  73           HB1      GLU  73  -2.949   4.439   8.067
  534    HG2  GLU  73           HG2      GLU  73  -2.400   3.673  10.264
  535    HG3  GLU  73           HG1      GLU  73  -0.838   3.101   9.692
  536    H    LEU  74           HN       LEU  74  -1.243   1.764   5.851
  537    HA   LEU  74           HA       LEU  74  -2.911   2.755   3.760
  538    HB2  LEU  74           HB2      LEU  74  -0.384   2.317   3.719
  539    HB3  LEU  74           HB1      LEU  74  -0.800   0.624   3.459
  540    HG   LEU  74           HG       LEU  74  -2.027   1.413   1.341
  541   HD11  LEU  74          HD11      LEU  74  -2.363   3.663   1.951
  542   HD12  LEU  74          HD12      LEU  74  -1.371   3.562   0.480
  543   HD13  LEU  74          HD13      LEU  74  -0.629   3.936   2.032
  544   HD21  LEU  74          HD21      LEU  74   0.028   1.637   0.047
  545   HD22  LEU  74          HD22      LEU  74   0.210   0.372   1.247
  546   HD23  LEU  74          HD23      LEU  74   0.945   1.959   1.521
  547    H    LEU  75           HN       LEU  75  -2.407  -0.326   5.302
  548    HA   LEU  75           HA       LEU  75  -4.047  -1.920   3.641
  549    HB2  LEU  75           HB2      LEU  75  -2.288  -2.723   5.271
  550    HB3  LEU  75           HB1      LEU  75  -3.389  -2.306   6.564
  551    HG   LEU  75           HG       LEU  75  -5.002  -4.003   5.491
  552   HD11  LEU  75          HD11      LEU  75  -3.882  -4.118   3.321
  553   HD12  LEU  75          HD12      LEU  75  -4.025  -5.700   4.096
  554   HD13  LEU  75          HD13      LEU  75  -2.474  -4.862   4.107
  555   HD21  LEU  75          HD21      LEU  75  -2.377  -4.972   6.630
  556   HD22  LEU  75          HD22      LEU  75  -3.871  -5.903   6.561
  557   HD23  LEU  75          HD23      LEU  75  -3.783  -4.456   7.563
  558    H    ASP  76           HN       ASP  76  -4.497  -0.418   6.868
  559    HA   ASP  76           HA       ASP  76  -7.156  -0.967   7.381
  560    HB2  ASP  76           HB2      ASP  76  -5.645   1.578   8.065
  561    HB3  ASP  76           HB1      ASP  76  -7.250   1.203   8.665
  562    H    LEU  77           HN       LEU  77  -5.803   1.719   5.586
  563    HA   LEU  77           HA       LEU  77  -8.059   3.248   5.062
  564    HB2  LEU  77           HB2      LEU  77  -5.580   3.773   4.595
  565    HB3  LEU  77           HB1      LEU  77  -5.759   2.863   3.127
  566    HG   LEU  77           HG       LEU  77  -7.225   5.421   3.793
  567   HD11  LEU  77          HD11      LEU  77  -4.871   5.784   3.534
  568   HD12  LEU  77          HD12      LEU  77  -5.747   6.456   2.152
  569   HD13  LEU  77          HD13      LEU  77  -4.888   4.914   1.994
  570   HD21  LEU  77          HD21      LEU  77  -7.048   3.930   1.164
  571   HD22  LEU  77          HD22      LEU  77  -7.838   5.491   1.421
  572   HD23  LEU  77          HD23      LEU  77  -8.486   4.036   2.180
  573    H    ILE  78           HN       ILE  78  -6.662   0.613   3.095
  574    HA   ILE  78           HA       ILE  78  -8.698   0.908   1.116
  575    HB   ILE  78           HB       ILE  78  -6.663  -1.317   1.463
  576   HG12  ILE  78          HG12      ILE  78  -6.789   1.063  -0.410
  577   HG13  ILE  78          HG11      ILE  78  -5.673   0.863   0.934
  578   HG21  ILE  78          HG21      ILE  78  -8.606  -2.155   0.285
  579   HG22  ILE  78          HG22      ILE  78  -7.230  -1.995  -0.808
  580   HG23  ILE  78          HG23      ILE  78  -8.541  -0.801  -0.847
  581   HD11  ILE  78          HD11      ILE  78  -5.786  -0.772  -1.585
  582   HD12  ILE  78          HD12      ILE  78  -4.661  -1.031  -0.251
  583   HD13  ILE  78          HD13      ILE  78  -4.596   0.460  -1.188
  584    H    ASN  79           HN       ASN  79  -8.110  -1.317   3.772
  585    HA   ASN  79           HA       ASN  79 -10.235  -3.077   3.248
  586    HB2  ASN  79           HB2      ASN  79  -8.947  -2.310   5.864
  587    HB3  ASN  79           HB1      ASN  79 -10.137  -3.597   5.724
  588   HD21  ASN  79          HD21      ASN  79  -8.911  -4.395   3.055
  589   HD22  ASN  79          HD22      ASN  79  -7.472  -5.258   3.535
  590    H    GLY  80           HN       GLY  80 -10.111  -0.031   4.951
  591    HA2  GLY  80           HA2      GLY  80 -12.832  -0.130   5.834
  592    HA3  GLY  80           HA1      GLY  80 -11.767   1.267   5.864
  593    H    ALA  81           HN       ALA  81 -11.139   1.298   3.046
  594    HA   ALA  81           HA       ALA  81 -13.299   2.874   2.149
  595    HB1  ALA  81           HB1      ALA  81 -11.003   1.757   0.528
  596    HB2  ALA  81           HB2      ALA  81 -10.987   3.266   1.442
  597    HB3  ALA  81           HB3      ALA  81 -12.069   3.093   0.061
  598    H    LEU  82           HN       LEU  82 -12.445  -0.458   1.663
  599    HA   LEU  82           HA       LEU  82 -14.147  -1.158  -0.441
  600    HB2  LEU  82           HB2      LEU  82 -13.335  -2.772   1.984
  601    HB3  LEU  82           HB1      LEU  82 -14.120  -3.455   0.581
  602    HG   LEU  82           HG       LEU  82 -11.420  -2.103   0.524
  603   HD11  LEU  82          HD11      LEU  82 -11.328  -4.116   1.891
  604   HD12  LEU  82          HD12      LEU  82 -10.496  -4.357   0.358
  605   HD13  LEU  82          HD13      LEU  82 -12.106  -5.031   0.601
  606   HD21  LEU  82          HD21      LEU  82 -12.860  -3.817  -1.487
  607   HD22  LEU  82          HD22      LEU  82 -11.221  -3.195  -1.650
  608   HD23  LEU  82          HD23      LEU  82 -12.590  -2.078  -1.607
  609    H    ALA  83           HN       ALA  83 -14.773  -0.992   3.023
  610    HA   ALA  83           HA       ALA  83 -17.489  -1.921   2.786
  611    HB1  ALA  83           HB1      ALA  83 -17.593  -1.647   5.194
  612    HB2  ALA  83           HB2      ALA  83 -16.068  -0.766   5.178
  613    HB3  ALA  83           HB3      ALA  83 -16.106  -2.486   4.734
  614    H    GLU  84           HN       GLU  84 -16.101   1.000   2.127
  615    HA   GLU  84           HA       GLU  84 -18.324   2.620   3.076
  616    HB2  GLU  84           HB2      GLU  84 -15.915   3.439   3.037
  617    HB3  GLU  84           HB1      GLU  84 -15.999   3.429   1.280
  618    HG2  GLU  84           HG2      GLU  84 -16.342   5.672   2.009
  619    HG3  GLU  84           HG1      GLU  84 -17.891   5.040   1.459
  620    H    ALA  85           HN       ALA  85 -17.544   0.579   0.574
  621    HA   ALA  85           HA       ALA  85 -19.263   1.917  -1.351
  622    HB1  ALA  85           HB1      ALA  85 -18.415   0.292  -2.986
  623    HB2  ALA  85           HB2      ALA  85 -17.478  -0.506  -1.731
  624    HB3  ALA  85           HB3      ALA  85 -17.095   1.159  -2.205
  625    H    ALA  86           HN       ALA  86 -18.746  -1.535  -0.352
  626    HA   ALA  86           HA       ALA  86 -21.236  -2.067   0.700
  627    HB1  ALA  86           HB1      ALA  86 -22.378  -3.255  -1.130
  628    HB2  ALA  86           HB2      ALA  86 -21.083  -2.772  -2.241
  629    HB3  ALA  86           HB3      ALA  86 -22.123  -1.558  -1.525
  630   H28A  SXR 101          H28A      SXR  42   5.579  12.349  -4.909
  631   H28B  SXR 101          H28B      SXR  42   4.189  11.241  -4.691
  632   H30A  SXR 101          H30A      SXR  42   1.796  12.250  -6.383
  633   H30B  SXR 101          H30B      SXR  42   1.811  13.686  -5.353
  634   H30C  SXR 101          H30C      SXR  42   2.178  12.102  -4.665
  635   H31A  SXR 101          H31A      SXR  42   3.976  14.856  -6.858
  636   H31B  SXR 101          H31B      SXR  42   5.086  14.575  -5.499
  637   H31C  SXR 101          H31C      SXR  42   3.400  14.946  -5.189
  638   H32A  SXR 101          H32A      SXR  42   3.796  11.266  -7.313
  639   H33A  SXR 101          H33A      SXR  42   5.682  12.750  -8.235
  640   H36A  SXR 101          H36A      SXR  42   1.858  13.058  -7.722
  641   H37A  SXR 101          H37A      SXR  42   2.339  14.974  -9.776
  642   H37B  SXR 101          H37B      SXR  42   1.500  13.537 -10.384
  643   H38A  SXR 101          H38A      SXR  42  -0.063  15.425  -9.620
  644   H38B  SXR 101          H38B      SXR  42  -0.317  13.878  -8.873
  645   H41A  SXR 101          H41A      SXR  42  -0.988  14.252  -6.931
  646   H42A  SXR 101          H42A      SXR  42   0.110  14.421  -4.711
  647   H42B  SXR 101          H42B      SXR  42   0.418  16.090  -5.112
  648   H43A  SXR 101          H43A      SXR  42  -2.010  16.540  -5.236
  649   H43B  SXR 101          H43B      SXR  42  -1.699  15.728  -3.691
  650   H11A  SXR 101          H11A      SXR  42   0.255   8.765  -1.560
  651   H10A  SXR 101          H10A      SXR  42  -0.179   7.773   0.647
  652    H9A  SXR 101           H9A      SXR  42  -1.967   6.053   0.910
  653    H8A  SXR 101           H8A      SXR  42  -3.305   5.365  -1.046
  654    H7A  SXR 101           H7A      SXR  42  -2.867   6.374  -3.276
  655    H5A  SXR 101           H5A      SXR  42  -0.075   8.201  -4.445
  656    H5B  SXR 101           H5B      SXR  42  -1.319   7.348  -4.389
  657    H4A  SXR 101           H4A      SXR  42  -2.594   9.399  -5.082
  658    H4B  SXR 101           H4B      SXR  42  -2.694   9.060  -3.614
  659    H2A  SXR 101           H2A      SXR  42  -1.254  12.260  -5.777
  660    H2B  SXR 101           H2B      SXR  42  -2.382  11.353  -5.434
  661    H1A  SXR 101           H1A      SXR  42  -2.918  13.082  -3.178
  662    H1B  SXR 101           H1B      SXR  42  -1.483  13.356  -3.613
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1 -19.027 -11.216  -3.253
    2    H2   MET   1           HT2      MET   1 -18.043 -12.552  -3.571
    3    H3   MET   1           HT3      MET   1 -19.252 -12.074  -4.671
    4    HA   MET   1           HA       MET   1 -16.924 -11.461  -5.261
    5    HB2  MET   1           HB2      MET   1 -17.540  -9.162  -6.004
    6    HB3  MET   1           HB1      MET   1 -18.770 -10.346  -6.380
    7    HG2  MET   1           HG2      MET   1 -20.058  -9.541  -4.389
    8    HG3  MET   1           HG1      MET   1 -18.819  -8.296  -4.174
    9    HE1  MET   1           HE1      MET   1 -21.433  -8.521  -7.988
   10    HE2  MET   1           HE2      MET   1 -21.575  -9.690  -6.674
   11    HE3  MET   1           HE3      MET   1 -20.100  -9.618  -7.636
   12    H    ALA   2           HN       ALA   2 -16.907 -11.661  -2.302
   13    HA   ALA   2           HA       ALA   2 -15.659  -9.175  -1.497
   14    HB1  ALA   2           HB1      ALA   2 -17.233 -10.267   0.066
   15    HB2  ALA   2           HB2      ALA   2 -15.605 -10.243   0.725
   16    HB3  ALA   2           HB3      ALA   2 -16.255 -11.725   0.019
   17    H    THR   3           HN       THR   3 -13.589  -8.963  -1.945
   18    HA   THR   3           HA       THR   3 -11.802 -11.265  -1.640
   19    HB   THR   3           HB       THR   3 -11.675  -9.265  -3.933
   20    HG1  THR   3           HG1      THR   3 -13.306 -11.244  -3.717
   21   HG21  THR   3          HG21      THR   3  -9.966 -10.762  -4.842
   22   HG22  THR   3          HG22      THR   3 -10.081 -11.800  -3.413
   23   HG23  THR   3          HG23      THR   3  -9.465 -10.157  -3.265
   24    H    LEU   4           HN       LEU   4 -11.007 -10.499   0.297
   25    HA   LEU   4           HA       LEU   4 -10.119  -7.750   0.480
   26    HB2  LEU   4           HB2      LEU   4  -9.915  -9.979   2.542
   27    HB3  LEU   4           HB1      LEU   4  -9.421  -8.328   2.801
   28    HG   LEU   4           HG       LEU   4 -11.411  -8.594   3.940
   29   HD11  LEU   4          HD11      LEU   4 -11.278  -6.500   2.814
   30   HD12  LEU   4          HD12      LEU   4 -12.956  -7.036   2.908
   31   HD13  LEU   4          HD13      LEU   4 -12.082  -7.162   1.394
   32   HD21  LEU   4          HD21      LEU   4 -12.216 -10.631   2.935
   33   HD22  LEU   4          HD22      LEU   4 -12.657  -9.766   1.455
   34   HD23  LEU   4          HD23      LEU   4 -13.495  -9.415   2.965
   35    H    LEU   5           HN       LEU   5  -8.011  -7.110   0.558
   36    HA   LEU   5           HA       LEU   5  -6.085  -9.140  -0.181
   37    HB2  LEU   5           HB2      LEU   5  -4.531  -7.294  -0.670
   38    HB3  LEU   5           HB1      LEU   5  -5.992  -7.120  -1.600
   39    HG   LEU   5           HG       LEU   5  -5.825  -5.584   0.954
   40   HD11  LEU   5          HD11      LEU   5  -4.342  -4.877  -1.569
   41   HD12  LEU   5          HD12      LEU   5  -3.606  -5.353  -0.044
   42   HD13  LEU   5          HD13      LEU   5  -4.524  -3.842  -0.142
   43   HD21  LEU   5          HD21      LEU   5  -7.835  -5.443  -0.525
   44   HD22  LEU   5          HD22      LEU   5  -6.769  -4.932  -1.838
   45   HD23  LEU   5          HD23      LEU   5  -6.956  -3.921  -0.415
   46    H    THR   6           HN       THR   6  -4.703  -9.876   1.266
   47    HA   THR   6           HA       THR   6  -4.833  -8.626   3.882
   48    HB   THR   6           HB       THR   6  -3.681 -10.805   4.642
   49    HG1  THR   6           HG1      THR   6  -4.681 -11.712   2.119
   50   HG21  THR   6          HG21      THR   6  -6.049 -10.329   5.059
   51   HG22  THR   6          HG22      THR   6  -5.822 -12.031   4.661
   52   HG23  THR   6          HG23      THR   6  -6.473 -10.931   3.454
   53    H    THR   7           HN       THR   7  -2.499  -9.372   5.126
   54    HA   THR   7           HA       THR   7  -0.809  -7.339   4.366
   55    HB   THR   7           HB       THR   7   0.003  -9.733   6.022
   56    HG1  THR   7           HG1      THR   7  -1.133  -8.026   7.648
   57   HG21  THR   7          HG21      THR   7   1.157  -7.953   7.325
   58   HG22  THR   7          HG22      THR   7   0.520  -6.746   6.198
   59   HG23  THR   7          HG23      THR   7   1.673  -7.950   5.635
   60    H    ASP   8           HN       ASP   8  -0.768 -10.789   3.505
   61    HA   ASP   8           HA       ASP   8   1.812 -10.890   2.392
   62    HB2  ASP   8           HB2      ASP   8  -0.659 -12.506   1.797
   63    HB3  ASP   8           HB1      ASP   8   0.876 -12.812   1.011
   64    H    ASP   9           HN       ASP   9  -1.285  -9.973   1.024
   65    HA   ASP   9           HA       ASP   9  -0.346  -9.803  -1.670
   66    HB2  ASP   9           HB2      ASP   9  -2.847  -9.927  -1.015
   67    HB3  ASP   9           HB1      ASP   9  -2.683  -8.267  -0.516
   68    H    LEU  10           HN       LEU  10  -0.924  -7.524   0.927
   69    HA   LEU  10           HA       LEU  10  -0.205  -5.151  -0.310
   70    HB2  LEU  10           HB2      LEU  10  -1.257  -5.362   1.915
   71    HB3  LEU  10           HB1      LEU  10   0.257  -5.946   2.571
   72    HG   LEU  10           HG       LEU  10   1.286  -3.745   2.044
   73   HD11  LEU  10          HD11      LEU  10  -1.543  -2.970   1.364
   74   HD12  LEU  10          HD12      LEU  10  -0.177  -3.054   0.246
   75   HD13  LEU  10          HD13      LEU  10  -0.179  -1.867   1.549
   76   HD21  LEU  10          HD21      LEU  10  -1.161  -3.678   3.808
   77   HD22  LEU  10          HD22      LEU  10   0.178  -2.533   3.856
   78   HD23  LEU  10          HD23      LEU  10   0.450  -4.221   4.280
   79    H    ARG  11           HN       ARG  11   1.876  -7.466   1.371
   80    HA   ARG  11           HA       ARG  11   4.300  -6.073   1.134
   81    HB2  ARG  11           HB2      ARG  11   4.013  -7.972   2.647
   82    HB3  ARG  11           HB1      ARG  11   3.765  -9.044   1.287
   83    HG2  ARG  11           HG2      ARG  11   6.037  -8.681   0.545
   84    HG3  ARG  11           HG1      ARG  11   6.332  -7.586   1.907
   85    HD2  ARG  11           HD2      ARG  11   7.203  -9.842   2.352
   86    HD3  ARG  11           HD1      ARG  11   5.896  -9.461   3.458
   87    HE   ARG  11           HE       ARG  11   5.171 -10.886   1.047
   88   HH11  ARG  11          HH11      ARG  11   6.114 -11.259   4.466
   89   HH12  ARG  11          HH12      ARG  11   5.231 -12.694   4.688
   90   HH21  ARG  11          HH21      ARG  11   4.013 -12.844   1.354
   91   HH22  ARG  11          HH22      ARG  11   3.853 -13.555   2.882
   92    H    ARG  12           HN       ARG  12   2.658  -8.338  -1.024
   93    HA   ARG  12           HA       ARG  12   4.862  -8.586  -2.843
   94    HB2  ARG  12           HB2      ARG  12   2.894 -10.193  -2.523
   95    HB3  ARG  12           HB1      ARG  12   1.987  -9.063  -3.463
   96    HG2  ARG  12           HG2      ARG  12   3.753  -9.273  -5.309
   97    HG3  ARG  12           HG1      ARG  12   4.316 -10.704  -4.428
   98    HD2  ARG  12           HD2      ARG  12   2.767 -11.318  -6.189
   99    HD3  ARG  12           HD1      ARG  12   2.068 -11.656  -4.595
  100    HE   ARG  12           HE       ARG  12   1.444  -9.151  -5.997
  101   HH11  ARG  12          HH11      ARG  12   0.230 -12.240  -4.734
  102   HH12  ARG  12          HH12      ARG  12  -1.360 -11.640  -4.530
  103   HH21  ARG  12          HH21      ARG  12  -0.572  -8.417  -5.744
  104   HH22  ARG  12          HH22      ARG  12  -1.827  -9.344  -4.995
  105    H    ALA  13           HN       ALA  13   1.848  -6.873  -2.775
  106    HA   ALA  13           HA       ALA  13   1.827  -5.653  -5.244
  107    HB1  ALA  13           HB1      ALA  13   0.329  -3.988  -4.279
  108    HB2  ALA  13           HB2      ALA  13   0.834  -4.449  -2.669
  109    HB3  ALA  13           HB3      ALA  13  -0.054  -5.597  -3.671
  110    H    LEU  14           HN       LEU  14   3.425  -4.582  -2.331
  111    HA   LEU  14           HA       LEU  14   4.324  -2.071  -3.225
  112    HB2  LEU  14           HB2      LEU  14   4.322  -3.061  -0.865
  113    HB3  LEU  14           HB1      LEU  14   5.760  -3.930  -1.323
  114    HG   LEU  14           HG       LEU  14   6.936  -1.793  -1.703
  115   HD11  LEU  14          HD11      LEU  14   5.000  -0.376  -2.131
  116   HD12  LEU  14          HD12      LEU  14   5.987   0.264  -0.816
  117   HD13  LEU  14          HD13      LEU  14   4.470  -0.579  -0.457
  118   HD21  LEU  14          HD21      LEU  14   7.211  -1.278   0.674
  119   HD22  LEU  14          HD22      LEU  14   7.170  -3.023   0.385
  120   HD23  LEU  14          HD23      LEU  14   5.764  -2.217   1.051
  121    H    VAL  15           HN       VAL  15   5.686  -5.313  -3.417
  122    HA   VAL  15           HA       VAL  15   8.108  -4.552  -4.705
  123    HB   VAL  15           HB       VAL  15   6.801  -7.280  -4.415
  124   HG11  VAL  15          HG11      VAL  15   9.635  -6.595  -5.214
  125   HG12  VAL  15          HG12      VAL  15   8.375  -7.277  -6.249
  126   HG13  VAL  15          HG13      VAL  15   9.009  -8.218  -4.901
  127   HG21  VAL  15          HG21      VAL  15   8.982  -5.968  -2.787
  128   HG22  VAL  15          HG22      VAL  15   8.399  -7.622  -2.571
  129   HG23  VAL  15          HG23      VAL  15   7.324  -6.258  -2.271
  130    H    GLU  16           HN       GLU  16   4.920  -5.487  -5.762
  131    HA   GLU  16           HA       GLU  16   5.476  -6.097  -8.461
  132    HB2  GLU  16           HB2      GLU  16   2.956  -4.947  -7.237
  133    HB3  GLU  16           HB1      GLU  16   3.068  -5.502  -8.897
  134    HG2  GLU  16           HG2      GLU  16   3.603  -7.761  -8.074
  135    HG3  GLU  16           HG1      GLU  16   3.421  -7.182  -6.418
  136    H    SER  17           HN       SER  17   5.307  -3.111  -6.807
  137    HA   SER  17           HA       SER  17   4.995  -1.505  -9.139
  138    HB2  SER  17           HB2      SER  17   4.263  -0.765  -6.889
  139    HB3  SER  17           HB1      SER  17   5.942  -0.746  -6.358
  140    HG   SER  17           HG       SER  17   5.577   1.274  -6.944
  141    H    ALA  18           HN       ALA  18   7.726  -2.111  -6.917
  142    HA   ALA  18           HA       ALA  18   9.589  -0.711  -8.555
  143    HB1  ALA  18           HB1      ALA  18  11.257  -1.450  -6.964
  144    HB2  ALA  18           HB2      ALA  18  10.115  -2.595  -6.255
  145    HB3  ALA  18           HB3      ALA  18   9.835  -0.857  -6.124
  146    H    GLY  19           HN       GLY  19   8.892  -4.130  -8.039
  147    HA2  GLY  19           HA2      GLY  19   9.334  -5.965  -9.296
  148    HA3  GLY  19           HA1      GLY  19   9.780  -4.889 -10.598
  149    H    GLU  20           HN       GLU  20  11.894  -4.215 -10.756
  150    HA   GLU  20           HA       GLU  20  13.821  -6.254 -10.120
  151    HB2  GLU  20           HB2      GLU  20  14.144  -3.619 -11.546
  152    HB3  GLU  20           HB1      GLU  20  15.381  -4.852 -11.392
  153    HG2  GLU  20           HG2      GLU  20  12.721  -5.243 -12.759
  154    HG3  GLU  20           HG1      GLU  20  14.255  -4.926 -13.577
  155    H    THR  21           HN       THR  21  12.859  -3.353  -8.698
  156    HA   THR  21           HA       THR  21  15.379  -2.955  -7.328
  157    HB   THR  21           HB       THR  21  12.777  -1.437  -6.932
  158    HG1  THR  21           HG1      THR  21  14.536  -1.532  -9.024
  159   HG21  THR  21          HG21      THR  21  14.276   0.346  -6.169
  160   HG22  THR  21          HG22      THR  21  15.677  -0.667  -6.503
  161   HG23  THR  21          HG23      THR  21  14.552  -1.110  -5.211
  162    H    ASP  22           HN       ASP  22  15.435  -4.896  -6.223
  163    HA   ASP  22           HA       ASP  22  13.542  -5.967  -4.453
  164    HB2  ASP  22           HB2      ASP  22  15.572  -7.143  -5.232
  165    HB3  ASP  22           HB1      ASP  22  16.563  -6.026  -4.312
  166    H    GLY  23           HN       GLY  23  12.652  -4.924  -2.777
  167    HA2  GLY  23           HA2      GLY  23  14.029  -2.574  -1.754
  168    HA3  GLY  23           HA1      GLY  23  12.308  -2.885  -1.685
  169    H    THR  24           HN       THR  24  15.310  -3.089  -0.163
  170    HA   THR  24           HA       THR  24  16.063  -3.567   1.889
  171    HB   THR  24           HB       THR  24  14.629  -2.550   3.741
  172    HG1  THR  24           HG1      THR  24  13.016  -1.281   1.878
  173   HG21  THR  24          HG21      THR  24  15.222  -0.886   1.289
  174   HG22  THR  24          HG22      THR  24  16.365  -1.271   2.592
  175   HG23  THR  24          HG23      THR  24  14.964  -0.255   2.916
  176    H    ASP  25           HN       ASP  25  14.256  -4.002   4.315
  177    HA   ASP  25           HA       ASP  25  13.602  -6.797   3.819
  178    HB2  ASP  25           HB2      ASP  25  15.614  -6.784   5.203
  179    HB3  ASP  25           HB1      ASP  25  14.859  -5.694   6.362
  180    H    LEU  26           HN       LEU  26  11.618  -6.676   3.581
  181    HA   LEU  26           HA       LEU  26   9.941  -5.754   5.773
  182    HB2  LEU  26           HB2      LEU  26   8.321  -4.941   3.942
  183    HB3  LEU  26           HB1      LEU  26   9.739  -3.989   4.270
  184    HG   LEU  26           HG       LEU  26  10.800  -5.172   2.243
  185   HD11  LEU  26          HD11      LEU  26   9.310  -5.942   0.501
  186   HD12  LEU  26          HD12      LEU  26   7.933  -5.817   1.609
  187   HD13  LEU  26          HD13      LEU  26   9.221  -6.967   1.935
  188   HD21  LEU  26          HD21      LEU  26  10.189  -2.847   2.253
  189   HD22  LEU  26          HD22      LEU  26   8.513  -3.241   1.851
  190   HD23  LEU  26          HD23      LEU  26   9.816  -3.564   0.694
  191    H    SER  27           HN       SER  27  11.061  -8.201   4.998
  192    HA   SER  27           HA       SER  27   9.422  -9.918   3.521
  193    HB2  SER  27           HB2      SER  27  11.323 -10.628   5.749
  194    HB3  SER  27           HB1      SER  27  10.901 -11.586   4.323
  195    HG   SER  27           HG       SER  27  12.683  -9.475   4.611
  196    H    GLY  28           HN       GLY  28   9.930  -9.584   7.044
  197    HA2  GLY  28           HA2      GLY  28   7.549 -11.234   7.511
  198    HA3  GLY  28           HA1      GLY  28   8.808 -10.867   8.689
  199    H    ASP  29           HN       ASP  29   8.889  -8.059   8.486
  200    HA   ASP  29           HA       ASP  29   6.160  -7.278   8.913
  201    HB2  ASP  29           HB2      ASP  29   6.467  -6.459  11.034
  202    HB3  ASP  29           HB1      ASP  29   7.276  -8.010  11.105
  203    H    PHE  30           HN       PHE  30   5.817  -5.111   8.655
  204    HA   PHE  30           HA       PHE  30   7.825  -3.222   8.215
  205    HB2  PHE  30           HB2      PHE  30   7.479  -2.793   5.904
  206    HB3  PHE  30           HB1      PHE  30   7.975  -4.466   6.044
  207    HD1  PHE  30           HD1      PHE  30   6.010  -6.238   6.141
  208    HD2  PHE  30           HD2      PHE  30   5.590  -2.329   4.488
  209    HE1  PHE  30           HE1      PHE  30   4.068  -6.996   4.845
  210    HE2  PHE  30           HE2      PHE  30   3.641  -3.098   3.196
  211    HZ   PHE  30           HZ       PHE  30   2.856  -5.331   3.358
  212    H    LEU  31           HN       LEU  31   5.247  -3.913   9.606
  213    HA   LEU  31           HA       LEU  31   3.322  -2.199   8.311
  214    HB2  LEU  31           HB2      LEU  31   3.091  -3.904  10.768
  215    HB3  LEU  31           HB1      LEU  31   1.803  -2.929  10.114
  216    HG   LEU  31           HG       LEU  31   3.122  -5.198   8.642
  217   HD11  LEU  31          HD11      LEU  31   1.801  -6.001  10.520
  218   HD12  LEU  31          HD12      LEU  31   0.986  -6.326   8.974
  219   HD13  LEU  31          HD13      LEU  31   0.438  -5.001   9.991
  220   HD21  LEU  31          HD21      LEU  31   1.265  -4.927   7.065
  221   HD22  LEU  31          HD22      LEU  31   2.291  -3.488   7.134
  222   HD23  LEU  31          HD23      LEU  31   0.726  -3.497   7.947
  223    H    ASP  32           HN       ASP  32   5.398  -2.252  11.093
  224    HA   ASP  32           HA       ASP  32   4.459   0.441  11.753
  225    HB2  ASP  32           HB2      ASP  32   6.220  -1.464  13.307
  226    HB3  ASP  32           HB1      ASP  32   5.931   0.213  13.795
  227    H    LEU  33           HN       LEU  33   6.423  -0.862   9.701
  228    HA   LEU  33           HA       LEU  33   8.763   0.790  10.094
  229    HB2  LEU  33           HB2      LEU  33   7.906  -1.115   7.940
  230    HB3  LEU  33           HB1      LEU  33   9.359  -0.206   7.765
  231    HG   LEU  33           HG       LEU  33   8.725  -2.413   9.692
  232   HD11  LEU  33          HD11      LEU  33  10.755  -3.379   8.708
  233   HD12  LEU  33          HD12      LEU  33  10.912  -1.931   7.700
  234   HD13  LEU  33          HD13      LEU  33   9.530  -3.012   7.483
  235   HD21  LEU  33          HD21      LEU  33  10.910  -2.059  10.706
  236   HD22  LEU  33          HD22      LEU  33   9.840  -0.688  10.999
  237   HD23  LEU  33          HD23      LEU  33  11.101  -0.584   9.763
  238    H    ARG  34           HN       ARG  34   8.965   2.737   9.214
  239    HA   ARG  34           HA       ARG  34   6.628   3.638   7.811
  240    HB2  ARG  34           HB2      ARG  34   8.841   5.251   9.081
  241    HB3  ARG  34           HB1      ARG  34   7.527   5.971   8.132
  242    HG2  ARG  34           HG2      ARG  34   5.911   4.900   9.702
  243    HG3  ARG  34           HG1      ARG  34   7.283   4.372  10.676
  244    HD2  ARG  34           HD2      ARG  34   6.653   7.237   9.994
  245    HD3  ARG  34           HD1      ARG  34   6.116   6.437  11.470
  246    HE   ARG  34           HE       ARG  34   8.789   6.084  11.461
  247   HH11  ARG  34          HH11      ARG  34   6.625   8.876  11.304
  248   HH12  ARG  34          HH12      ARG  34   7.738   9.969  12.041
  249   HH21  ARG  34          HH21      ARG  34  10.347   7.651  12.429
  250   HH22  ARG  34          HH22      ARG  34   9.806   9.268  12.684
  251    H    PHE  35           HN       PHE  35   6.590   4.846   6.002
  252    HA   PHE  35           HA       PHE  35   7.639   3.475   3.849
  253    HB2  PHE  35           HB2      PHE  35   6.548   6.285   3.862
  254    HB3  PHE  35           HB1      PHE  35   6.740   5.268   2.435
  255    HD1  PHE  35           HD2      PHE  35   5.409   3.149   2.279
  256    HD2  PHE  35           HD1      PHE  35   4.617   6.129   5.230
  257    HE1  PHE  35           HE2      PHE  35   3.164   2.207   2.637
  258    HE2  PHE  35           HE1      PHE  35   2.380   5.183   5.594
  259    HZ   PHE  35           HZ       PHE  35   1.648   3.231   4.299
  260    H    GLU  36           HN       GLU  36   8.748   6.576   5.097
  261    HA   GLU  36           HA       GLU  36  10.667   7.044   3.086
  262    HB2  GLU  36           HB2      GLU  36  11.541   8.765   4.620
  263    HB3  GLU  36           HB1      GLU  36   9.794   8.817   4.451
  264    HG2  GLU  36           HG2      GLU  36   9.570   7.624   6.606
  265    HG3  GLU  36           HG1      GLU  36  11.318   7.665   6.787
  266    H    ASP  37           HN       ASP  37  10.767   5.265   6.051
  267    HA   ASP  37           HA       ASP  37  13.600   5.111   6.333
  268    HB2  ASP  37           HB2      ASP  37  12.177   4.974   8.278
  269    HB3  ASP  37           HB1      ASP  37  11.310   3.613   7.612
  270    H    ILE  38           HN       ILE  38  11.102   3.052   4.980
  271    HA   ILE  38           HA       ILE  38  13.050   1.034   4.293
  272    HB   ILE  38           HB       ILE  38  11.181  -0.203   3.212
  273   HG12  ILE  38          HG12      ILE  38   9.497   2.041   4.337
  274   HG13  ILE  38          HG11      ILE  38   9.756   1.710   2.624
  275   HG21  ILE  38          HG21      ILE  38  10.762   0.634   6.078
  276   HG22  ILE  38          HG22      ILE  38  11.807  -0.679   5.508
  277   HG23  ILE  38          HG23      ILE  38  10.070  -0.810   5.341
  278   HD11  ILE  38          HD11      ILE  38   7.563   0.932   3.356
  279   HD12  ILE  38          HD12      ILE  38   8.320  -0.071   4.592
  280   HD13  ILE  38          HD13      ILE  38   8.587  -0.425   2.878
  281    H    GLY  39           HN       GLY  39  12.738   3.839   2.983
  282    HA2  GLY  39           HA2      GLY  39  13.775   4.619   1.061
  283    HA3  GLY  39           HA1      GLY  39  13.984   2.953   0.544
  284    H    TYR  40           HN       TYR  40  10.914   4.604   1.278
  285    HA   TYR  40           HA       TYR  40  10.332   4.373  -1.564
  286    HB2  TYR  40           HB2      TYR  40   8.624   3.629   0.772
  287    HB3  TYR  40           HB1      TYR  40   7.857   4.207  -0.703
  288    HD1  TYR  40           HD2      TYR  40  10.017   1.566   0.737
  289    HD2  TYR  40           HD1      TYR  40   7.715   2.826  -2.630
  290    HE1  TYR  40           HE2      TYR  40  10.200  -0.698  -0.244
  291    HE2  TYR  40           HE1      TYR  40   7.908   0.582  -3.584
  292    HH   TYR  40           HH       TYR  40   9.057  -2.100  -1.802
  293    H    ASP  41           HN       ASP  41   9.725   6.106  -2.577
  294    HA   ASP  41           HA       ASP  41   8.930   8.445  -1.003
  295    HB2  ASP  41           HB2      ASP  41   9.631   8.338  -3.957
  296    HB3  ASP  41           HB1      ASP  41   9.263   9.786  -3.060
  297    H    SER  42           HN       SER  42   7.307   9.795  -2.388
  298    HA   SER  42           HA       SER  42   4.872   8.429  -2.239
  299    HB2  SER  42           HB2      SER  42   3.977  10.499  -3.275
  300    HB3  SER  42           HB1      SER  42   5.006  10.797  -1.879
  301    H    LEU  43           HN       LEU  43   6.893   9.317  -4.934
  302    HA   LEU  43           HA       LEU  43   5.263   8.863  -7.116
  303    HB2  LEU  43           HB2      LEU  43   7.550   9.814  -7.180
  304    HB3  LEU  43           HB1      LEU  43   8.215   8.217  -6.922
  305    HG   LEU  43           HG       LEU  43   7.216   7.510  -9.105
  306   HD11  LEU  43          HD11      LEU  43   6.484   9.220 -10.680
  307   HD12  LEU  43          HD12      LEU  43   6.629  10.445  -9.413
  308   HD13  LEU  43          HD13      LEU  43   5.441   9.154  -9.258
  309   HD21  LEU  43          HD21      LEU  43   9.552   8.155  -8.921
  310   HD22  LEU  43          HD22      LEU  43   9.121   9.843  -9.194
  311   HD23  LEU  43          HD23      LEU  43   8.881   8.665 -10.476
  312    H    ALA  44           HN       ALA  44   7.549   6.483  -5.763
  313    HA   ALA  44           HA       ALA  44   6.539   4.332  -7.347
  314    HB1  ALA  44           HB1      ALA  44   8.099   2.938  -6.091
  315    HB2  ALA  44           HB2      ALA  44   8.349   4.247  -4.941
  316    HB3  ALA  44           HB3      ALA  44   8.872   4.439  -6.616
  317    H    LEU  45           HN       LEU  45   5.732   5.652  -4.315
  318    HA   LEU  45           HA       LEU  45   4.529   3.334  -3.187
  319    HB2  LEU  45           HB2      LEU  45   5.448   5.471  -2.044
  320    HB3  LEU  45           HB1      LEU  45   3.921   6.210  -2.478
  321    HG   LEU  45           HG       LEU  45   4.299   3.832  -0.639
  322   HD11  LEU  45          HD11      LEU  45   3.717   6.696  -0.023
  323   HD12  LEU  45          HD12      LEU  45   5.235   5.844   0.286
  324   HD13  LEU  45          HD13      LEU  45   3.780   5.374   1.146
  325   HD21  LEU  45          HD21      LEU  45   1.985   4.198   0.001
  326   HD22  LEU  45          HD22      LEU  45   2.115   3.838  -1.737
  327   HD23  LEU  45          HD23      LEU  45   1.853   5.495  -1.194
  328    H    MET  46           HN       MET  46   3.457   6.135  -5.077
  329    HA   MET  46           HA       MET  46   0.703   5.375  -4.903
  330    HB2  MET  46           HB2      MET  46   2.053   7.442  -6.641
  331    HB3  MET  46           HB1      MET  46   0.310   7.176  -6.604
  332    HG2  MET  46           HG2      MET  46   0.314   7.670  -4.191
  333    HG3  MET  46           HG1      MET  46   2.028   8.045  -4.280
  334    HE1  MET  46           HE1      MET  46   0.468  11.546  -3.719
  335    HE2  MET  46           HE2      MET  46   1.721  10.424  -3.232
  336    HE3  MET  46           HE3      MET  46   0.030  10.005  -2.983
  337    H    GLU  47           HN       GLU  47   3.295   4.691  -7.081
  338    HA   GLU  47           HA       GLU  47   1.702   3.469  -9.092
  339    HB2  GLU  47           HB2      GLU  47   4.501   2.724  -8.196
  340    HB3  GLU  47           HB1      GLU  47   3.753   2.237  -9.705
  341    HG2  GLU  47           HG2      GLU  47   3.718   4.618 -10.398
  342    HG3  GLU  47           HG1      GLU  47   4.530   5.041  -8.895
  343    H    THR  48           HN       THR  48   3.029   2.407  -6.044
  344    HA   THR  48           HA       THR  48   2.301  -0.301  -6.070
  345    HB   THR  48           HB       THR  48   2.434   1.642  -3.756
  346    HG1  THR  48           HG1      THR  48   4.458   1.539  -4.778
  347   HG21  THR  48          HG21      THR  48   2.535  -1.384  -3.781
  348   HG22  THR  48          HG22      THR  48   1.248  -0.388  -3.115
  349   HG23  THR  48          HG23      THR  48   2.843  -0.377  -2.368
  350    H    ALA  49           HN       ALA  49   0.609   2.551  -4.729
  351    HA   ALA  49           HA       ALA  49  -1.763   1.400  -3.852
  352    HB1  ALA  49           HB1      ALA  49  -2.732   3.581  -4.103
  353    HB2  ALA  49           HB2      ALA  49  -1.389   4.085  -5.118
  354    HB3  ALA  49           HB3      ALA  49  -1.112   3.696  -3.411
  355    H    ALA  50           HN       ALA  50  -0.956   2.699  -7.049
  356    HA   ALA  50           HA       ALA  50  -3.408   2.353  -8.298
  357    HB1  ALA  50           HB1      ALA  50  -0.684   2.195  -9.582
  358    HB2  ALA  50           HB2      ALA  50  -1.586   3.683  -9.242
  359    HB3  ALA  50           HB3      ALA  50  -2.205   2.519 -10.406
  360    H    ARG  51           HN       ARG  51  -1.070  -0.077  -7.452
  361    HA   ARG  51           HA       ARG  51  -1.885  -2.049  -9.381
  362    HB2  ARG  51           HB2      ARG  51  -0.619  -2.571  -6.676
  363    HB3  ARG  51           HB1      ARG  51  -0.656  -3.656  -8.045
  364    HG2  ARG  51           HG2      ARG  51   0.869  -1.058  -7.903
  365    HG3  ARG  51           HG1      ARG  51   1.542  -2.667  -7.685
  366    HD2  ARG  51           HD2      ARG  51   2.016  -1.806  -9.881
  367    HD3  ARG  51           HD1      ARG  51   0.978  -3.231 -10.002
  368    HE   ARG  51           HE       ARG  51  -0.512  -0.844  -9.954
  369   HH11  ARG  51          HH11      ARG  51   1.611  -2.646 -12.115
  370   HH12  ARG  51          HH12      ARG  51   0.756  -2.264 -13.544
  371   HH21  ARG  51          HH21      ARG  51  -1.772  -0.369 -11.929
  372   HH22  ARG  51          HH22      ARG  51  -1.254  -1.044 -13.408
  373    H    LEU  52           HN       LEU  52  -2.706  -1.165  -6.178
  374    HA   LEU  52           HA       LEU  52  -4.463  -3.398  -5.720
  375    HB2  LEU  52           HB2      LEU  52  -4.003  -0.882  -4.134
  376    HB3  LEU  52           HB1      LEU  52  -4.909  -2.285  -3.567
  377    HG   LEU  52           HG       LEU  52  -1.964  -2.244  -4.219
  378   HD11  LEU  52          HD11      LEU  52  -1.654  -2.509  -1.799
  379   HD12  LEU  52          HD12      LEU  52  -3.393  -2.367  -1.563
  380   HD13  LEU  52          HD13      LEU  52  -2.482  -1.000  -2.185
  381   HD21  LEU  52          HD21      LEU  52  -2.988  -4.422  -4.657
  382   HD22  LEU  52          HD22      LEU  52  -3.693  -4.420  -3.037
  383   HD23  LEU  52          HD23      LEU  52  -1.935  -4.474  -3.246
  384    H    GLU  53           HN       GLU  53  -4.867   0.115  -6.129
  385    HA   GLU  53           HA       GLU  53  -7.659   0.288  -5.932
  386    HB2  GLU  53           HB2      GLU  53  -5.879   1.887  -7.784
  387    HB3  GLU  53           HB1      GLU  53  -7.509   2.290  -7.263
  388    HG2  GLU  53           HG2      GLU  53  -6.722   2.635  -5.015
  389    HG3  GLU  53           HG1      GLU  53  -5.084   2.161  -5.487
  390    H    SER  54           HN       SER  54  -5.674  -0.183  -8.823
  391    HA   SER  54           HA       SER  54  -7.887  -0.197 -10.576
  392    HB2  SER  54           HB2      SER  54  -5.107  -1.245 -11.034
  393    HB3  SER  54           HB1      SER  54  -6.307  -0.914 -12.284
  394    HG   SER  54           HG       SER  54  -4.825   0.845 -10.702
  395    H    ARG  55           HN       ARG  55  -6.302  -2.684  -8.752
  396    HA   ARG  55           HA       ARG  55  -7.146  -4.901 -10.345
  397    HB2  ARG  55           HB2      ARG  55  -5.180  -4.918  -8.816
  398    HB3  ARG  55           HB1      ARG  55  -6.268  -4.845  -7.454
  399    HG2  ARG  55           HG2      ARG  55  -7.276  -7.023  -8.261
  400    HG3  ARG  55           HG1      ARG  55  -5.960  -7.086  -9.437
  401    HD2  ARG  55           HD2      ARG  55  -5.669  -6.977  -6.440
  402    HD3  ARG  55           HD1      ARG  55  -5.442  -8.407  -7.447
  403    HE   ARG  55           HE       ARG  55  -3.626  -6.775  -8.516
  404   HH11  ARG  55          HH11      ARG  55  -4.333  -7.346  -5.064
  405   HH12  ARG  55          HH12      ARG  55  -2.798  -7.082  -4.518
  406   HH21  ARG  55          HH21      ARG  55  -1.498  -6.423  -7.848
  407   HH22  ARG  55          HH22      ARG  55  -1.020  -6.519  -6.218
  408    H    TYR  56           HN       TYR  56  -8.368  -3.300  -7.486
  409    HA   TYR  56           HA       TYR  56 -10.557  -5.213  -7.374
  410    HB2  TYR  56           HB2      TYR  56  -9.597  -3.214  -5.334
  411    HB3  TYR  56           HB1      TYR  56 -10.998  -4.268  -5.085
  412    HD1  TYR  56           HD1      TYR  56 -10.594  -6.779  -5.093
  413    HD2  TYR  56           HD2      TYR  56  -7.411  -3.957  -4.946
  414    HE1  TYR  56           HE1      TYR  56  -9.100  -8.510  -4.227
  415    HE2  TYR  56           HE2      TYR  56  -5.912  -5.693  -4.066
  416    HH   TYR  56           HH       TYR  56  -6.048  -7.822  -2.870
  417    H    GLY  57           HN       GLY  57  -9.941  -1.858  -8.038
  418    HA2  GLY  57           HA2      GLY  57 -11.450  -0.634  -9.386
  419    HA3  GLY  57           HA1      GLY  57 -12.785  -1.556  -8.691
  420    H    VAL  58           HN       VAL  58 -10.099   0.095  -7.069
  421    HA   VAL  58           HA       VAL  58 -12.133   1.705  -5.710
  422    HB   VAL  58           HB       VAL  58 -11.164   1.565  -3.613
  423   HG11  VAL  58          HG11      VAL  58 -10.567  -1.075  -4.810
  424   HG12  VAL  58          HG12      VAL  58 -12.166  -0.563  -4.226
  425   HG13  VAL  58          HG13      VAL  58 -10.828  -0.802  -3.085
  426   HG21  VAL  58          HG21      VAL  58  -8.947   0.697  -3.033
  427   HG22  VAL  58          HG22      VAL  58  -8.813   2.061  -4.134
  428   HG23  VAL  58          HG23      VAL  58  -8.589   0.413  -4.739
  429    H    SER  59           HN       SER  59 -10.902   3.683  -4.491
  430    HA   SER  59           HA       SER  59  -8.637   4.671  -5.972
  431    HB2  SER  59           HB2      SER  59 -11.210   6.277  -5.739
  432    HB3  SER  59           HB1      SER  59  -9.723   6.788  -6.521
  433    HG   SER  59           HG       SER  59 -10.305   4.555  -7.642
  434    H    ILE  60           HN       ILE  60  -7.358   5.660  -4.555
  435    HA   ILE  60           HA       ILE  60  -8.400   6.053  -1.863
  436    HB   ILE  60           HB       ILE  60  -5.531   6.297  -2.877
  437   HG12  ILE  60          HG12      ILE  60  -6.316   3.997  -3.077
  438   HG13  ILE  60          HG11      ILE  60  -5.136   4.140  -1.776
  439   HG21  ILE  60          HG21      ILE  60  -4.889   6.202  -0.529
  440   HG22  ILE  60          HG22      ILE  60  -6.582   6.195  -0.057
  441   HG23  ILE  60          HG23      ILE  60  -5.892   7.616  -0.856
  442   HD11  ILE  60          HD11      ILE  60  -6.929   4.103  -0.132
  443   HD12  ILE  60          HD12      ILE  60  -6.943   2.663  -1.154
  444   HD13  ILE  60          HD13      ILE  60  -8.131   3.941  -1.419
  445    HA   PRO  61           HA       PRO  61  -9.143  10.324  -3.024
  446    HB2  PRO  61           HB2      PRO  61  -9.538  10.589  -0.089
  447    HB3  PRO  61           HB1      PRO  61 -10.606  11.032  -1.428
  448    HG2  PRO  61           HG2      PRO  61 -11.138   8.884   0.058
  449    HG3  PRO  61           HG1      PRO  61 -11.381   8.864  -1.684
  450    HD2  PRO  61           HD2      PRO  61  -9.138   7.726  -0.091
  451    HD3  PRO  61           HD1      PRO  61 -10.009   7.016  -1.473
  452    H    ASP  62           HN       ASP  62  -8.034  12.135  -3.002
  453    HA   ASP  62           HA       ASP  62  -5.307  12.255  -2.646
  454    HB2  ASP  62           HB2      ASP  62  -7.256  14.554  -2.588
  455    HB3  ASP  62           HB1      ASP  62  -5.511  14.718  -2.789
  456    H    ASP  63           HN       ASP  63  -7.698  13.746  -0.505
  457    HA   ASP  63           HA       ASP  63  -5.899  14.702   1.455
  458    HB2  ASP  63           HB2      ASP  63  -8.806  13.952   1.827
  459    HB3  ASP  63           HB1      ASP  63  -7.826  14.956   2.886
  460    H    VAL  64           HN       VAL  64  -7.754  11.784   1.137
  461    HA   VAL  64           HA       VAL  64  -7.286  10.911   3.801
  462    HB   VAL  64           HB       VAL  64  -8.471   9.322   1.503
  463   HG11  VAL  64          HG11      VAL  64  -9.554   8.022   3.250
  464   HG12  VAL  64          HG12      VAL  64  -8.664   8.923   4.474
  465   HG13  VAL  64          HG13      VAL  64  -7.795   7.901   3.338
  466   HG21  VAL  64          HG21      VAL  64  -9.835  11.034   3.585
  467   HG22  VAL  64          HG22      VAL  64 -10.627  10.005   2.386
  468   HG23  VAL  64          HG23      VAL  64  -9.682  11.392   1.863
  469    H    ALA  65           HN       ALA  65  -5.492  10.692   0.954
  470    HA   ALA  65           HA       ALA  65  -4.018   8.318   1.504
  471    HB1  ALA  65           HB1      ALA  65  -2.427   9.180  -0.153
  472    HB2  ALA  65           HB2      ALA  65  -3.227  10.757  -0.104
  473    HB3  ALA  65           HB3      ALA  65  -4.085   9.349  -0.731
  474    H    GLY  66           HN       GLY  66  -3.899  11.573   2.689
  475    HA2  GLY  66           HA2      GLY  66  -1.238  11.266   3.819
  476    HA3  GLY  66           HA1      GLY  66  -2.259  12.703   3.936
  477    H    ARG  67           HN       ARG  67  -3.029   9.375   4.738
  478    HA   ARG  67           HA       ARG  67  -3.242  10.125   7.574
  479    HB2  ARG  67           HB2      ARG  67  -5.101   8.303   6.023
  480    HB3  ARG  67           HB1      ARG  67  -5.194   8.591   7.748
  481    HG2  ARG  67           HG2      ARG  67  -5.646  10.627   5.561
  482    HG3  ARG  67           HG1      ARG  67  -6.873   9.851   6.580
  483    HD2  ARG  67           HD2      ARG  67  -5.950  10.919   8.554
  484    HD3  ARG  67           HD1      ARG  67  -4.623  11.572   7.586
  485    HE   ARG  67           HE       ARG  67  -7.429  12.327   7.268
  486   HH11  ARG  67          HH11      ARG  67  -3.975  13.139   7.125
  487   HH12  ARG  67          HH12      ARG  67  -4.220  14.834   7.112
  488   HH21  ARG  67          HH21      ARG  67  -7.736  14.716   7.217
  489   HH22  ARG  67          HH22      ARG  67  -6.345  15.712   7.164
  490    H    VAL  68           HN       VAL  68  -1.537   8.395   5.445
  491    HA   VAL  68           HA       VAL  68  -1.338   6.075   7.204
  492    HB   VAL  68           HB       VAL  68  -0.172   4.925   5.329
  493   HG11  VAL  68          HG11      VAL  68  -2.137   4.613   3.894
  494   HG12  VAL  68          HG12      VAL  68  -2.875   6.034   4.605
  495   HG13  VAL  68          HG13      VAL  68  -2.542   4.620   5.611
  496   HG21  VAL  68          HG21      VAL  68   0.748   6.876   4.122
  497   HG22  VAL  68          HG22      VAL  68  -0.886   7.371   3.673
  498   HG23  VAL  68          HG23      VAL  68  -0.222   5.856   3.072
  499    H    ASP  69           HN       ASP  69   0.127   6.280   8.682
  500    HA   ASP  69           HA       ASP  69   2.660   7.678   8.172
  501    HB2  ASP  69           HB2      ASP  69   1.553   8.233  10.278
  502    HB3  ASP  69           HB1      ASP  69   1.348   6.533  10.651
  503    H    THR  70           HN       THR  70   1.171   4.635   8.733
  504    HA   THR  70           HA       THR  70   3.680   3.257   8.117
  505    HB   THR  70           HB       THR  70   2.838   1.457   9.684
  506    HG1  THR  70           HG1      THR  70   1.050   3.564  10.312
  507   HG21  THR  70          HG21      THR  70   3.613   2.601  11.744
  508   HG22  THR  70          HG22      THR  70   3.493   4.152  10.917
  509   HG23  THR  70          HG23      THR  70   4.658   2.947  10.360
  510    HA   PRO  71           HA       PRO  71   1.333   0.869   5.033
  511    HB2  PRO  71           HB2      PRO  71   2.769  -1.419   6.307
  512    HB3  PRO  71           HB1      PRO  71   2.582  -1.031   4.585
  513    HG2  PRO  71           HG2      PRO  71   4.862  -0.490   5.739
  514    HG3  PRO  71           HG1      PRO  71   4.114   0.763   4.734
  515    HD2  PRO  71           HD2      PRO  71   4.137   0.494   7.726
  516    HD3  PRO  71           HD1      PRO  71   4.428   1.945   6.745
  517    H    ARG  72           HN       ARG  72   1.381   0.043   8.381
  518    HA   ARG  72           HA       ARG  72  -0.590  -1.931   8.637
  519    HB2  ARG  72           HB2      ARG  72   0.740  -1.082  10.537
  520    HB3  ARG  72           HB1      ARG  72  -0.016   0.487  10.381
  521    HG2  ARG  72           HG2      ARG  72  -2.214  -0.661  10.927
  522    HG3  ARG  72           HG1      ARG  72  -1.260  -2.079  11.319
  523    HD2  ARG  72           HD2      ARG  72  -1.682  -0.816  13.339
  524    HD3  ARG  72           HD1      ARG  72   0.045  -0.777  12.953
  525    HE   ARG  72           HE       ARG  72  -1.763   1.436  12.251
  526   HH11  ARG  72          HH11      ARG  72   1.322   0.312  13.684
  527   HH12  ARG  72          HH12      ARG  72   1.899   1.869  13.973
  528   HH21  ARG  72          HH21      ARG  72  -0.875   3.670  12.682
  529   HH22  ARG  72          HH22      ARG  72   0.658   3.783  13.372
  530    H    GLU  73           HN       GLU  73  -0.834   1.572   8.570
  531    HA   GLU  73           HA       GLU  73  -3.672   1.680   8.751
  532    HB2  GLU  73           HB2      GLU  73  -1.657   3.808   8.033
  533    HB3  GLU  73           HB1      GLU  73  -3.327   4.076   8.552
  534    HG2  GLU  73           HG2      GLU  73  -2.905   3.298  10.710
  535    HG3  GLU  73           HG1      GLU  73  -1.395   2.538  10.234
  536    H    LEU  74           HN       LEU  74  -1.358   1.521   6.242
  537    HA   LEU  74           HA       LEU  74  -2.896   2.466   4.038
  538    HB2  LEU  74           HB2      LEU  74  -0.326   1.868   4.221
  539    HB3  LEU  74           HB1      LEU  74  -0.836   0.239   3.898
  540    HG   LEU  74           HG       LEU  74  -1.111   2.596   2.035
  541   HD11  LEU  74          HD11      LEU  74   0.688   0.195   1.985
  542   HD12  LEU  74          HD12      LEU  74   1.153   1.853   2.328
  543   HD13  LEU  74          HD13      LEU  74   0.573   1.410   0.713
  544   HD21  LEU  74          HD21      LEU  74  -1.769  -0.315   1.559
  545   HD22  LEU  74          HD22      LEU  74  -1.797   0.954   0.334
  546   HD23  LEU  74          HD23      LEU  74  -2.927   1.004   1.695
  547    H    LEU  75           HN       LEU  75  -2.454  -0.676   5.583
  548    HA   LEU  75           HA       LEU  75  -4.114  -2.206   3.875
  549    HB2  LEU  75           HB2      LEU  75  -2.402  -3.103   5.521
  550    HB3  LEU  75           HB1      LEU  75  -3.511  -2.671   6.800
  551    HG   LEU  75           HG       LEU  75  -5.176  -4.247   5.744
  552   HD11  LEU  75          HD11      LEU  75  -4.336  -5.956   4.267
  553   HD12  LEU  75          HD12      LEU  75  -2.766  -5.169   4.193
  554   HD13  LEU  75          HD13      LEU  75  -4.197  -4.367   3.515
  555   HD21  LEU  75          HD21      LEU  75  -4.106  -6.230   6.703
  556   HD22  LEU  75          HD22      LEU  75  -3.921  -4.809   7.732
  557   HD23  LEU  75          HD23      LEU  75  -2.563  -5.376   6.755
  558    H    ASP  76           HN       ASP  76  -4.652  -0.831   7.115
  559    HA   ASP  76           HA       ASP  76  -7.298  -1.326   7.564
  560    HB2  ASP  76           HB2      ASP  76  -5.620   1.054   8.273
  561    HB3  ASP  76           HB1      ASP  76  -7.330   1.076   8.626
  562    H    LEU  77           HN       LEU  77  -5.987   1.457   5.858
  563    HA   LEU  77           HA       LEU  77  -8.358   2.801   5.350
  564    HB2  LEU  77           HB2      LEU  77  -6.111   3.766   5.152
  565    HB3  LEU  77           HB1      LEU  77  -5.827   2.801   3.717
  566    HG   LEU  77           HG       LEU  77  -7.593   4.035   2.547
  567   HD11  LEU  77          HD11      LEU  77  -8.550   6.019   3.577
  568   HD12  LEU  77          HD12      LEU  77  -7.716   5.619   5.079
  569   HD13  LEU  77          HD13      LEU  77  -8.978   4.541   4.452
  570   HD21  LEU  77          HD21      LEU  77  -6.401   6.159   2.371
  571   HD22  LEU  77          HD22      LEU  77  -5.266   4.810   2.417
  572   HD23  LEU  77          HD23      LEU  77  -5.520   5.807   3.850
  573    H    ILE  78           HN       ILE  78  -6.685   0.383   3.327
  574    HA   ILE  78           HA       ILE  78  -8.600   0.756   1.260
  575    HB   ILE  78           HB       ILE  78  -6.403  -1.319   1.529
  576   HG12  ILE  78          HG12      ILE  78  -6.669   1.229  -0.066
  577   HG13  ILE  78          HG11      ILE  78  -5.562   0.939   1.283
  578   HG21  ILE  78          HG21      ILE  78  -8.177  -0.725  -0.847
  579   HG22  ILE  78          HG22      ILE  78  -8.210  -2.200   0.117
  580   HG23  ILE  78          HG23      ILE  78  -6.788  -1.809  -0.856
  581   HD11  ILE  78          HD11      ILE  78  -4.367  -0.700  -0.119
  582   HD12  ILE  78          HD12      ILE  78  -4.416   0.918  -0.832
  583   HD13  ILE  78          HD13      ILE  78  -5.484  -0.343  -1.447
  584    H    ASN  79           HN       ASN  79  -8.038  -1.683   3.746
  585    HA   ASN  79           HA       ASN  79 -10.067  -3.450   2.929
  586    HB2  ASN  79           HB2      ASN  79  -8.970  -2.929   5.706
  587    HB3  ASN  79           HB1      ASN  79 -10.087  -4.222   5.316
  588   HD21  ASN  79          HD21      ASN  79  -8.656  -4.712   2.717
  589   HD22  ASN  79          HD22      ASN  79  -7.195  -5.514   3.204
  590    H    GLY  80           HN       GLY  80 -10.100  -0.612   5.009
  591    HA2  GLY  80           HA2      GLY  80 -12.779  -0.850   5.860
  592    HA3  GLY  80           HA1      GLY  80 -11.804   0.608   5.896
  593    H    ALA  81           HN       ALA  81 -11.233   0.920   3.140
  594    HA   ALA  81           HA       ALA  81 -13.576   2.201   2.312
  595    HB1  ALA  81           HB1      ALA  81 -11.141   1.466   0.697
  596    HB2  ALA  81           HB2      ALA  81 -11.305   2.914   1.684
  597    HB3  ALA  81           HB3      ALA  81 -12.351   2.685   0.289
  598    H    LEU  82           HN       LEU  82 -12.204  -0.926   1.596
  599    HA   LEU  82           HA       LEU  82 -13.885  -1.657  -0.534
  600    HB2  LEU  82           HB2      LEU  82 -12.515  -3.351   1.559
  601    HB3  LEU  82           HB1      LEU  82 -13.458  -4.045   0.258
  602    HG   LEU  82           HG       LEU  82 -10.989  -2.353  -0.130
  603   HD11  LEU  82          HD11      LEU  82 -10.494  -4.479   0.985
  604   HD12  LEU  82          HD12      LEU  82  -9.923  -4.511  -0.692
  605   HD13  LEU  82          HD13      LEU  82 -11.412  -5.339  -0.242
  606   HD21  LEU  82          HD21      LEU  82 -12.588  -4.069  -2.016
  607   HD22  LEU  82          HD22      LEU  82 -11.089  -3.221  -2.402
  608   HD23  LEU  82          HD23      LEU  82 -12.552  -2.303  -2.005
  609    H    ALA  83           HN       ALA  83 -14.384  -1.775   2.945
  610    HA   ALA  83           HA       ALA  83 -16.851  -3.207   2.661
  611    HB1  ALA  83           HB1      ALA  83 -17.103  -3.001   5.018
  612    HB2  ALA  83           HB2      ALA  83 -15.764  -1.849   5.112
  613    HB3  ALA  83           HB3      ALA  83 -15.467  -3.537   4.639
  614    H    GLU  84           HN       GLU  84 -15.962   0.086   2.428
  615    HA   GLU  84           HA       GLU  84 -18.585   1.009   3.172
  616    HB2  GLU  84           HB2      GLU  84 -16.335   2.478   1.774
  617    HB3  GLU  84           HB1      GLU  84 -17.856   3.237   2.231
  618    HG2  GLU  84           HG2      GLU  84 -17.266   2.447   4.610
  619    HG3  GLU  84           HG1      GLU  84 -15.648   2.197   3.978
  620    H    ALA  85           HN       ALA  85 -17.257  -0.484   0.534
  621    HA   ALA  85           HA       ALA  85 -19.314   0.465  -1.315
  622    HB1  ALA  85           HB1      ALA  85 -17.005  -1.443  -1.729
  623    HB2  ALA  85           HB2      ALA  85 -17.022   0.261  -2.186
  624    HB3  ALA  85           HB3      ALA  85 -18.100  -0.882  -2.990
  625    H    ALA  86           HN       ALA  86 -18.967  -1.710   1.116
  626    HA   ALA  86           HA       ALA  86 -20.497  -3.822  -0.143
  627    HB1  ALA  86           HB1      ALA  86 -19.032  -3.765   2.496
  628    HB2  ALA  86           HB2      ALA  86 -18.473  -4.514   0.998
  629    HB3  ALA  86           HB3      ALA  86 -19.885  -5.162   1.826
  630   H28A  SXR 101          H28A      SXR  42   4.797  10.679  -6.235
  631   H28B  SXR 101          H28B      SXR  42   3.142  10.336  -5.770
  632   H30A  SXR 101          H30A      SXR  42   3.963  10.421  -9.011
  633   H30B  SXR 101          H30B      SXR  42   2.212  10.665  -8.949
  634   H30C  SXR 101          H30C      SXR  42   2.993   9.608  -7.778
  635   H31A  SXR 101          H31A      SXR  42   1.234  12.081  -7.962
  636   H31B  SXR 101          H31B      SXR  42   2.064  13.430  -7.198
  637   H31C  SXR 101          H31C      SXR  42   1.545  12.060  -6.222
  638   H32A  SXR 101          H32A      SXR  42   5.317  12.229  -8.149
  639   H33A  SXR 101          H33A      SXR  42   5.285  13.587  -6.635
  640   H36A  SXR 101          H36A      SXR  42   2.545  14.293  -8.599
  641   H37A  SXR 101          H37A      SXR  42   2.762  15.705 -10.752
  642   H37B  SXR 101          H37B      SXR  42   2.686  14.130 -11.543
  643   H38A  SXR 101          H38A      SXR  42   0.583  15.319  -9.717
  644   H38B  SXR 101          H38B      SXR  42   0.509  15.281 -11.474
  645   H41A  SXR 101          H41A      SXR  42  -0.449  13.783  -8.748
  646   H42A  SXR 101          H42A      SXR  42  -1.563  11.538 -10.103
  647   H42B  SXR 101          H42B      SXR  42  -0.336  11.082  -8.920
  648   H43A  SXR 101          H43A      SXR  42  -2.704  12.830  -8.300
  649   H43B  SXR 101          H43B      SXR  42  -1.637  12.015  -7.127
  650   H11A  SXR 101          H11A      SXR  42  -0.672   7.926  -2.720
  651   H10A  SXR 101          H10A      SXR  42   0.680   7.999  -0.647
  652    H9A  SXR 101           H9A      SXR  42   0.021   6.607   1.307
  653    H8A  SXR 101           H8A      SXR  42  -1.997   5.137   1.149
  654    H7A  SXR 101           H7A      SXR  42  -3.305   5.078  -0.903
  655    H5A  SXR 101           H5A      SXR  42  -3.185   5.531  -3.739
  656    H5B  SXR 101           H5B      SXR  42  -3.806   6.276  -2.588
  657    H4A  SXR 101           H4A      SXR  42  -3.641   8.554  -3.680
  658    H4B  SXR 101           H4B      SXR  42  -2.217   8.141  -3.376
  659    H2A  SXR 101           H2A      SXR  42  -4.302   8.469  -6.922
  660    H2B  SXR 101           H2B      SXR  42  -3.895   9.060  -5.610
  661    H1A  SXR 101           H1A      SXR  42  -1.367   9.740  -6.781
  662    H1B  SXR 101           H1B      SXR  42  -1.989   8.668  -7.670
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1 -19.821 -10.180  -0.140
    2    H2   MET   1           HT2      MET   1 -20.068 -11.672   0.602
    3    H3   MET   1           HT3      MET   1 -18.781 -11.449  -0.490
    4    HA   MET   1           HA       MET   1 -19.029 -10.062   2.096
    5    HB2  MET   1           HB2      MET   1 -17.077 -12.219   1.197
    6    HB3  MET   1           HB1      MET   1 -17.009 -11.359   2.727
    7    HG2  MET   1           HG2      MET   1 -19.182 -12.306   3.340
    8    HG3  MET   1           HG1      MET   1 -19.211 -13.188   1.817
    9    HE1  MET   1           HE1      MET   1 -16.203 -12.534   4.306
   10    HE2  MET   1           HE2      MET   1 -16.266 -14.005   5.277
   11    HE3  MET   1           HE3      MET   1 -17.586 -12.841   5.353
   12    H    ALA   2           HN       ALA   2 -17.257  -8.656   2.501
   13    HA   ALA   2           HA       ALA   2 -16.527  -7.242   0.128
   14    HB1  ALA   2           HB1      ALA   2 -15.640  -6.860   2.988
   15    HB2  ALA   2           HB2      ALA   2 -17.012  -6.059   2.211
   16    HB3  ALA   2           HB3      ALA   2 -15.366  -5.723   1.667
   17    H    THR   3           HN       THR   3 -14.592  -7.210  -0.893
   18    HA   THR   3           HA       THR   3 -12.975  -9.550  -0.416
   19    HB   THR   3           HB       THR   3 -12.677  -7.512  -2.643
   20    HG1  THR   3           HG1      THR   3 -14.360  -8.443  -3.600
   21   HG21  THR   3          HG21      THR   3 -10.810  -9.116  -2.383
   22   HG22  THR   3          HG22      THR   3 -11.720  -9.435  -3.863
   23   HG23  THR   3          HG23      THR   3 -11.960 -10.455  -2.445
   24    H    LEU   4           HN       LEU   4 -12.293  -8.466   1.676
   25    HA   LEU   4           HA       LEU   4 -10.419  -6.346   1.600
   26    HB2  LEU   4           HB2      LEU   4 -11.023  -8.418   3.702
   27    HB3  LEU   4           HB1      LEU   4  -9.655  -7.353   3.873
   28    HG   LEU   4           HG       LEU   4 -11.213  -5.406   3.834
   29   HD11  LEU   4          HD11      LEU   4 -13.360  -7.495   3.958
   30   HD12  LEU   4          HD12      LEU   4 -13.061  -6.375   2.624
   31   HD13  LEU   4          HD13      LEU   4 -13.575  -5.762   4.194
   32   HD21  LEU   4          HD21      LEU   4 -10.417  -6.312   5.933
   33   HD22  LEU   4          HD22      LEU   4 -11.744  -7.475   5.948
   34   HD23  LEU   4          HD23      LEU   4 -12.083  -5.753   6.091
   35    H    LEU   5           HN       LEU   5  -8.734  -6.491   0.360
   36    HA   LEU   5           HA       LEU   5  -7.276  -8.803  -0.175
   37    HB2  LEU   5           HB2      LEU   5  -5.560  -7.283  -1.103
   38    HB3  LEU   5           HB1      LEU   5  -7.167  -6.921  -1.678
   39    HG   LEU   5           HG       LEU   5  -7.087  -5.103   0.237
   40   HD11  LEU   5          HD11      LEU   5  -4.205  -5.466  -0.451
   41   HD12  LEU   5          HD12      LEU   5  -4.923  -5.808   1.124
   42   HD13  LEU   5          HD13      LEU   5  -4.874  -4.145   0.510
   43   HD21  LEU   5          HD21      LEU   5  -5.661  -4.830  -2.401
   44   HD22  LEU   5          HD22      LEU   5  -6.246  -3.499  -1.401
   45   HD23  LEU   5          HD23      LEU   5  -7.390  -4.633  -2.115
   46    H    THR   6           HN       THR   6  -5.183  -9.419   0.533
   47    HA   THR   6           HA       THR   6  -5.227  -9.295   3.414
   48    HB   THR   6           HB       THR   6  -3.586 -11.160   3.287
   49    HG1  THR   6           HG1      THR   6  -3.912 -10.674   0.479
   50   HG21  THR   6          HG21      THR   6  -6.000 -11.608   3.430
   51   HG22  THR   6          HG22      THR   6  -5.186 -12.823   2.445
   52   HG23  THR   6          HG23      THR   6  -6.121 -11.542   1.670
   53    H    THR   7           HN       THR   7  -2.863  -9.667   4.381
   54    HA   THR   7           HA       THR   7  -1.444  -7.237   3.908
   55    HB   THR   7           HB       THR   7  -0.709  -9.592   5.677
   56    HG1  THR   7           HG1      THR   7  -2.536  -7.439   6.031
   57   HG21  THR   7          HG21      THR   7   1.065  -7.893   5.398
   58   HG22  THR   7          HG22      THR   7   0.415  -7.863   7.034
   59   HG23  THR   7          HG23      THR   7  -0.074  -6.631   5.870
   60    H    ASP   8           HN       ASP   8  -1.439 -10.446   2.830
   61    HA   ASP   8           HA       ASP   8   1.249 -10.730   1.971
   62    HB2  ASP   8           HB2      ASP   8  -0.427 -12.597   2.285
   63    HB3  ASP   8           HB1      ASP   8  -1.222 -12.048   0.816
   64    H    ASP   9           HN       ASP   9  -1.770  -9.727   0.473
   65    HA   ASP   9           HA       ASP   9  -0.833  -9.050  -2.096
   66    HB2  ASP   9           HB2      ASP   9  -3.058  -7.717  -0.511
   67    HB3  ASP   9           HB1      ASP   9  -2.701  -7.441  -2.216
   68    H    LEU  10           HN       LEU  10  -1.132  -7.193   0.854
   69    HA   LEU  10           HA       LEU  10  -0.251  -4.727  -0.089
   70    HB2  LEU  10           HB2      LEU  10  -1.388  -5.090   2.066
   71    HB3  LEU  10           HB1      LEU  10   0.050  -5.876   2.681
   72    HG   LEU  10           HG       LEU  10   1.284  -3.733   2.401
   73   HD11  LEU  10          HD11      LEU  10  -1.453  -2.627   1.788
   74   HD12  LEU  10          HD12      LEU  10  -0.087  -2.713   0.674
   75   HD13  LEU  10          HD13      LEU  10  -0.003  -1.671   2.094
   76   HD21  LEU  10          HD21      LEU  10   0.367  -4.384   4.549
   77   HD22  LEU  10          HD22      LEU  10  -1.177  -3.641   4.131
   78   HD23  LEU  10          HD23      LEU  10   0.263  -2.637   4.331
   79    H    ARG  11           HN       ARG  11   1.605  -7.358   1.411
   80    HA   ARG  11           HA       ARG  11   4.140  -6.174   1.437
   81    HB2  ARG  11           HB2      ARG  11   3.543  -8.362   2.490
   82    HB3  ARG  11           HB1      ARG  11   3.502  -9.082   0.889
   83    HG2  ARG  11           HG2      ARG  11   5.906  -8.454   0.630
   84    HG3  ARG  11           HG1      ARG  11   5.896  -7.944   2.319
   85    HD2  ARG  11           HD2      ARG  11   6.757 -10.175   2.233
   86    HD3  ARG  11           HD1      ARG  11   5.134 -10.259   2.920
   87    HE   ARG  11           HE       ARG  11   5.854 -10.958   0.160
   88   HH11  ARG  11          HH11      ARG  11   3.765 -11.495   3.006
   89   HH12  ARG  11          HH12      ARG  11   2.805 -12.649   2.151
   90   HH21  ARG  11          HH21      ARG  11   4.522 -12.552  -0.852
   91   HH22  ARG  11          HH22      ARG  11   3.197 -13.224   0.016
   92    H    ARG  12           HN       ARG  12   2.500  -8.033  -1.013
   93    HA   ARG  12           HA       ARG  12   4.577  -8.010  -2.918
   94    HB2  ARG  12           HB2      ARG  12   1.640  -8.507  -3.138
   95    HB3  ARG  12           HB1      ARG  12   2.724  -8.620  -4.513
   96    HG2  ARG  12           HG2      ARG  12   3.991 -10.376  -3.343
   97    HG3  ARG  12           HG1      ARG  12   2.878 -10.249  -1.976
   98    HD2  ARG  12           HD2      ARG  12   2.342 -12.126  -3.477
   99    HD3  ARG  12           HD1      ARG  12   1.034 -10.944  -3.369
  100    HE   ARG  12           HE       ARG  12   2.795 -10.388  -5.537
  101   HH11  ARG  12          HH11      ARG  12   0.123 -12.600  -4.669
  102   HH12  ARG  12          HH12      ARG  12  -0.403 -12.723  -6.289
  103   HH21  ARG  12          HH21      ARG  12   2.023 -10.537  -7.627
  104   HH22  ARG  12          HH22      ARG  12   0.652 -11.471  -8.034
  105    H    ALA  13           HN       ALA  13   1.804  -5.937  -2.397
  106    HA   ALA  13           HA       ALA  13   1.856  -4.408  -4.709
  107    HB1  ALA  13           HB1      ALA  13   0.667  -2.685  -3.460
  108    HB2  ALA  13           HB2      ALA  13   1.147  -3.446  -1.942
  109    HB3  ALA  13           HB3      ALA  13   0.062  -4.293  -3.049
  110    H    LEU  14           HN       LEU  14   3.744  -3.943  -1.750
  111    HA   LEU  14           HA       LEU  14   5.018  -1.593  -2.670
  112    HB2  LEU  14           HB2      LEU  14   5.779  -3.595  -0.547
  113    HB3  LEU  14           HB1      LEU  14   6.887  -2.326  -1.004
  114    HG   LEU  14           HG       LEU  14   5.778  -1.687   1.011
  115   HD11  LEU  14          HD11      LEU  14   4.750   0.422   0.405
  116   HD12  LEU  14          HD12      LEU  14   4.649  -0.114  -1.271
  117   HD13  LEU  14          HD13      LEU  14   6.224   0.105  -0.506
  118   HD21  LEU  14          HD21      LEU  14   3.155  -2.056  -0.425
  119   HD22  LEU  14          HD22      LEU  14   3.351  -1.385   1.191
  120   HD23  LEU  14          HD23      LEU  14   3.780  -3.070   0.874
  121    H    VAL  15           HN       VAL  15   5.869  -5.003  -2.877
  122    HA   VAL  15           HA       VAL  15   8.374  -4.638  -4.104
  123    HB   VAL  15           HB       VAL  15   6.530  -7.052  -4.342
  124   HG11  VAL  15          HG11      VAL  15   9.503  -6.808  -4.786
  125   HG12  VAL  15          HG12      VAL  15   8.288  -7.091  -6.028
  126   HG13  VAL  15          HG13      VAL  15   8.593  -8.315  -4.794
  127   HG21  VAL  15          HG21      VAL  15   8.740  -6.461  -2.369
  128   HG22  VAL  15          HG22      VAL  15   7.850  -7.982  -2.493
  129   HG23  VAL  15          HG23      VAL  15   7.016  -6.505  -2.015
  130    H    GLU  16           HN       GLU  16   5.135  -4.858  -5.439
  131    HA   GLU  16           HA       GLU  16   5.548  -5.000  -8.208
  132    HB2  GLU  16           HB2      GLU  16   3.537  -3.263  -6.744
  133    HB3  GLU  16           HB1      GLU  16   3.444  -3.711  -8.429
  134    HG2  GLU  16           HG2      GLU  16   3.337  -5.725  -6.200
  135    HG3  GLU  16           HG1      GLU  16   1.917  -4.877  -6.789
  136    H    SER  17           HN       SER  17   6.031  -2.396  -5.969
  137    HA   SER  17           HA       SER  17   6.333  -0.366  -8.036
  138    HB2  SER  17           HB2      SER  17   6.528  -0.082  -5.038
  139    HB3  SER  17           HB1      SER  17   6.227   1.191  -6.226
  140    HG   SER  17           HG       SER  17   4.502  -0.975  -5.544
  141    H    ALA  18           HN       ALA  18   8.134  -2.155  -5.611
  142    HA   ALA  18           HA       ALA  18  10.528  -0.711  -5.629
  143    HB1  ALA  18           HB1      ALA  18  10.126  -3.636  -5.014
  144    HB2  ALA  18           HB2      ALA  18   9.945  -2.298  -3.874
  145    HB3  ALA  18           HB3      ALA  18  11.528  -2.658  -4.571
  146    H    GLY  19           HN       GLY  19   9.513  -3.510  -7.607
  147    HA2  GLY  19           HA2      GLY  19  10.759  -2.773  -9.879
  148    HA3  GLY  19           HA1      GLY  19  12.041  -3.541  -8.952
  149    H    GLU  20           HN       GLU  20  11.907  -4.889 -10.945
  150    HA   GLU  20           HA       GLU  20   9.753  -6.874 -10.776
  151    HB2  GLU  20           HB2      GLU  20  11.638  -6.230 -13.047
  152    HB3  GLU  20           HB1      GLU  20  10.364  -7.446 -13.094
  153    HG2  GLU  20           HG2      GLU  20   8.691  -5.693 -12.722
  154    HG3  GLU  20           HG1      GLU  20   9.973  -4.485 -12.731
  155    H    THR  21           HN       THR  21  12.523  -6.494  -9.446
  156    HA   THR  21           HA       THR  21  13.112  -9.326  -9.493
  157    HB   THR  21           HB       THR  21  14.870  -8.298 -10.868
  158    HG1  THR  21           HG1      THR  21  16.134  -9.676  -9.971
  159   HG21  THR  21          HG21      THR  21  15.462  -6.525  -8.490
  160   HG22  THR  21          HG22      THR  21  14.777  -6.005 -10.032
  161   HG23  THR  21          HG23      THR  21  16.431  -6.615  -9.963
  162    H    ASP  22           HN       ASP  22  15.276  -8.778  -7.475
  163    HA   ASP  22           HA       ASP  22  13.582  -9.024  -5.179
  164    HB2  ASP  22           HB2      ASP  22  15.667 -10.254  -5.238
  165    HB3  ASP  22           HB1      ASP  22  16.588  -8.752  -5.332
  166    H    GLY  23           HN       GLY  23  13.054  -7.648  -3.640
  167    HA2  GLY  23           HA2      GLY  23  14.239  -4.966  -3.669
  168    HA3  GLY  23           HA1      GLY  23  12.491  -5.159  -3.690
  169    H    THR  24           HN       THR  24  12.199  -4.143  -1.723
  170    HA   THR  24           HA       THR  24  13.557  -4.542   0.661
  171    HB   THR  24           HB       THR  24  11.381  -3.598   1.580
  172    HG1  THR  24           HG1      THR  24  10.167  -4.529  -0.190
  173   HG21  THR  24          HG21      THR  24  13.283  -2.169   0.897
  174   HG22  THR  24          HG22      THR  24  11.739  -1.404   0.516
  175   HG23  THR  24          HG23      THR  24  12.684  -2.171  -0.759
  176    H    ASP  25           HN       ASP  25  13.659  -6.451   1.792
  177    HA   ASP  25           HA       ASP  25  11.711  -8.540   1.542
  178    HB2  ASP  25           HB2      ASP  25  14.056  -9.049   2.233
  179    HB3  ASP  25           HB1      ASP  25  13.782  -8.173   3.739
  180    H    LEU  26           HN       LEU  26   9.781  -8.410   2.324
  181    HA   LEU  26           HA       LEU  26   9.314  -6.914   4.823
  182    HB2  LEU  26           HB2      LEU  26   7.411  -7.366   2.517
  183    HB3  LEU  26           HB1      LEU  26   7.113  -6.387   3.939
  184    HG   LEU  26           HG       LEU  26   9.097  -5.777   1.747
  185   HD11  LEU  26          HD11      LEU  26   7.591  -3.928   1.222
  186   HD12  LEU  26          HD12      LEU  26   6.453  -4.521   2.435
  187   HD13  LEU  26          HD13      LEU  26   6.824  -5.504   1.015
  188   HD21  LEU  26          HD21      LEU  26   8.324  -4.156   4.178
  189   HD22  LEU  26          HD22      LEU  26   9.366  -3.605   2.860
  190   HD23  LEU  26          HD23      LEU  26   9.881  -4.937   3.899
  191    H    SER  27           HN       SER  27  10.084  -9.669   4.527
  192    HA   SER  27           HA       SER  27   7.823 -11.367   4.479
  193    HB2  SER  27           HB2      SER  27  10.642 -11.936   5.385
  194    HB3  SER  27           HB1      SER  27   9.415 -13.124   4.932
  195    HG   SER  27           HG       SER  27  11.112 -11.765   3.359
  196    H    GLY  28           HN       GLY  28   9.604  -9.763   7.070
  197    HA2  GLY  28           HA2      GLY  28   8.295 -11.391   9.111
  198    HA3  GLY  28           HA1      GLY  28   9.442 -10.087   9.391
  199    H    ASP  29           HN       ASP  29   8.742  -7.982   9.408
  200    HA   ASP  29           HA       ASP  29   5.863  -7.517   9.207
  201    HB2  ASP  29           HB2      ASP  29   6.364  -7.648  11.635
  202    HB3  ASP  29           HB1      ASP  29   7.597  -6.406  11.443
  203    H    PHE  30           HN       PHE  30   5.383  -5.634   8.281
  204    HA   PHE  30           HA       PHE  30   7.425  -3.651   7.901
  205    HB2  PHE  30           HB2      PHE  30   6.963  -3.447   5.587
  206    HB3  PHE  30           HB1      PHE  30   7.501  -5.079   5.891
  207    HD1  PHE  30           HD1      PHE  30   5.636  -6.880   6.238
  208    HD2  PHE  30           HD2      PHE  30   4.931  -3.137   4.331
  209    HE1  PHE  30           HE1      PHE  30   3.642  -7.804   5.149
  210    HE2  PHE  30           HE2      PHE  30   2.947  -4.061   3.246
  211    HZ   PHE  30           HZ       PHE  30   2.237  -6.330   3.707
  212    H    LEU  31           HN       LEU  31   4.701  -4.338   9.263
  213    HA   LEU  31           HA       LEU  31   2.904  -2.491   7.958
  214    HB2  LEU  31           HB2      LEU  31   2.623  -4.180  10.425
  215    HB3  LEU  31           HB1      LEU  31   1.356  -3.134   9.812
  216    HG   LEU  31           HG       LEU  31   2.521  -5.510   8.358
  217   HD11  LEU  31          HD11      LEU  31  -0.133  -5.106   9.710
  218   HD12  LEU  31          HD12      LEU  31   1.168  -6.164  10.265
  219   HD13  LEU  31          HD13      LEU  31   0.326  -6.514   8.752
  220   HD21  LEU  31          HD21      LEU  31   0.238  -3.671   7.649
  221   HD22  LEU  31          HD22      LEU  31   0.691  -5.130   6.767
  222   HD23  LEU  31          HD23      LEU  31   1.791  -3.758   6.825
  223    H    ASP  32           HN       ASP  32   4.963  -2.734  10.743
  224    HA   ASP  32           HA       ASP  32   4.180  -0.026  11.563
  225    HB2  ASP  32           HB2      ASP  32   4.434  -2.041  13.202
  226    HB3  ASP  32           HB1      ASP  32   6.162  -1.806  12.994
  227    H    LEU  33           HN       LEU  33   5.985  -1.272   9.334
  228    HA   LEU  33           HA       LEU  33   8.442   0.225   9.721
  229    HB2  LEU  33           HB2      LEU  33   7.474  -1.670   7.636
  230    HB3  LEU  33           HB1      LEU  33   8.873  -0.715   7.284
  231    HG   LEU  33           HG       LEU  33   8.533  -2.916   9.302
  232   HD11  LEU  33          HD11      LEU  33  10.443  -3.825   8.075
  233   HD12  LEU  33          HD12      LEU  33  10.434  -2.382   7.048
  234   HD13  LEU  33          HD13      LEU  33   9.069  -3.499   7.006
  235   HD21  LEU  33          HD21      LEU  33  10.810  -0.982   9.052
  236   HD22  LEU  33          HD22      LEU  33  10.826  -2.480   9.989
  237   HD23  LEU  33          HD23      LEU  33   9.739  -1.159  10.457
  238    H    ARG  34           HN       ARG  34   8.693   2.138   9.043
  239    HA   ARG  34           HA       ARG  34   6.539   3.442   7.625
  240    HB2  ARG  34           HB2      ARG  34   9.094   4.508   8.793
  241    HB3  ARG  34           HB1      ARG  34   7.904   5.508   7.963
  242    HG2  ARG  34           HG2      ARG  34   6.228   4.923   9.571
  243    HG3  ARG  34           HG1      ARG  34   7.347   3.818  10.372
  244    HD2  ARG  34           HD2      ARG  34   8.771   5.656  10.994
  245    HD3  ARG  34           HD1      ARG  34   7.737   6.786  10.103
  246    HE   ARG  34           HE       ARG  34   5.967   6.208  11.600
  247   HH11  ARG  34          HH11      ARG  34   9.301   5.619  12.709
  248   HH12  ARG  34          HH12      ARG  34   8.896   5.522  14.362
  249   HH21  ARG  34          HH21      ARG  34   5.426   6.111  13.844
  250   HH22  ARG  34          HH22      ARG  34   6.623   5.875  15.056
  251    H    PHE  35           HN       PHE  35   6.605   4.438   5.693
  252    HA   PHE  35           HA       PHE  35   8.119   3.274   3.644
  253    HB2  PHE  35           HB2      PHE  35   6.734   5.970   3.588
  254    HB3  PHE  35           HB1      PHE  35   7.254   5.059   2.177
  255    HD1  PHE  35           HD2      PHE  35   6.306   2.610   2.049
  256    HD2  PHE  35           HD1      PHE  35   4.542   5.773   4.273
  257    HE1  PHE  35           HE2      PHE  35   4.150   1.449   1.975
  258    HE2  PHE  35           HE1      PHE  35   2.374   4.609   4.200
  259    HZ   PHE  35           HZ       PHE  35   2.176   2.450   3.147
  260    H    GLU  36           HN       GLU  36   8.665   6.003   5.627
  261    HA   GLU  36           HA       GLU  36  10.768   7.370   4.444
  262    HB2  GLU  36           HB2      GLU  36  10.624   6.697   7.385
  263    HB3  GLU  36           HB1      GLU  36  11.363   8.102   6.640
  264    HG2  GLU  36           HG2      GLU  36   8.409   7.521   6.881
  265    HG3  GLU  36           HG1      GLU  36   9.347   8.731   7.747
  266    H    ASP  37           HN       ASP  37  10.756   4.462   6.442
  267    HA   ASP  37           HA       ASP  37  13.638   4.301   6.501
  268    HB2  ASP  37           HB2      ASP  37  12.340   3.787   8.518
  269    HB3  ASP  37           HB1      ASP  37  11.562   2.454   7.674
  270    H    ILE  38           HN       ILE  38  10.966   2.672   4.915
  271    HA   ILE  38           HA       ILE  38  12.805   0.711   3.862
  272    HB   ILE  38           HB       ILE  38  10.838  -0.275   2.633
  273   HG12  ILE  38          HG12      ILE  38   9.262   1.731   4.275
  274   HG13  ILE  38          HG11      ILE  38   9.433   1.764   2.530
  275   HG21  ILE  38          HG21      ILE  38  11.584  -1.204   4.731
  276   HG22  ILE  38          HG22      ILE  38   9.822  -1.261   4.650
  277   HG23  ILE  38          HG23      ILE  38  10.622  -0.030   5.627
  278   HD11  ILE  38          HD11      ILE  38   7.272   0.875   3.190
  279   HD12  ILE  38          HD12      ILE  38   8.062  -0.391   4.132
  280   HD13  ILE  38          HD13      ILE  38   8.231  -0.365   2.377
  281    H    GLY  39           HN       GLY  39  12.650   3.679   3.064
  282    HA2  GLY  39           HA2      GLY  39  13.482   4.820   1.252
  283    HA3  GLY  39           HA1      GLY  39  13.856   3.268   0.532
  284    H    TYR  40           HN       TYR  40  10.733   4.727   1.409
  285    HA   TYR  40           HA       TYR  40  10.010   4.500  -1.404
  286    HB2  TYR  40           HB2      TYR  40   8.430   3.748   1.005
  287    HB3  TYR  40           HB1      TYR  40   7.594   4.337  -0.426
  288    HD1  TYR  40           HD2      TYR  40  10.002   1.759   0.723
  289    HD2  TYR  40           HD1      TYR  40   7.188   2.939  -2.222
  290    HE1  TYR  40           HE2      TYR  40  10.152  -0.447  -0.281
  291    HE2  TYR  40           HE1      TYR  40   7.310   0.765  -3.249
  292    HH   TYR  40           HH       TYR  40   8.901  -1.891  -1.676
  293    H    ASP  41           HN       ASP  41   9.684   6.225  -2.348
  294    HA   ASP  41           HA       ASP  41   8.773   8.581  -0.863
  295    HB2  ASP  41           HB2      ASP  41   9.803   8.399  -3.713
  296    HB3  ASP  41           HB1      ASP  41   9.291   9.869  -2.960
  297    H    SER  42           HN       SER  42   7.318   9.934  -2.477
  298    HA   SER  42           HA       SER  42   4.861   8.635  -2.300
  299    HB2  SER  42           HB2      SER  42   4.061  10.713  -3.301
  300    HB3  SER  42           HB1      SER  42   5.221  11.011  -1.994
  301    H    LEU  43           HN       LEU  43   6.987   9.309  -5.044
  302    HA   LEU  43           HA       LEU  43   5.225   8.789  -7.149
  303    HB2  LEU  43           HB2      LEU  43   7.426   9.765  -7.485
  304    HB3  LEU  43           HB1      LEU  43   8.192   8.268  -7.004
  305    HG   LEU  43           HG       LEU  43   7.135   7.179  -8.998
  306   HD11  LEU  43          HD11      LEU  43   6.352   8.620 -10.806
  307   HD12  LEU  43          HD12      LEU  43   6.479  10.023  -9.738
  308   HD13  LEU  43          HD13      LEU  43   5.330   8.737  -9.373
  309   HD21  LEU  43          HD21      LEU  43   8.754   8.098 -10.586
  310   HD22  LEU  43          HD22      LEU  43   9.465   7.876  -8.986
  311   HD23  LEU  43          HD23      LEU  43   8.998   9.490  -9.529
  312    H    ALA  44           HN       ALA  44   7.454   6.578  -5.512
  313    HA   ALA  44           HA       ALA  44   6.530   4.296  -6.944
  314    HB1  ALA  44           HB1      ALA  44   8.796   4.409  -6.023
  315    HB2  ALA  44           HB2      ALA  44   7.917   3.012  -5.396
  316    HB3  ALA  44           HB3      ALA  44   8.132   4.454  -4.391
  317    H    LEU  45           HN       LEU  45   5.641   5.917  -4.026
  318    HA   LEU  45           HA       LEU  45   4.143   3.775  -2.946
  319    HB2  LEU  45           HB2      LEU  45   5.104   5.998  -1.882
  320    HB3  LEU  45           HB1      LEU  45   3.536   6.641  -2.318
  321    HG   LEU  45           HG       LEU  45   3.971   4.278  -0.484
  322   HD11  LEU  45          HD11      LEU  45   4.894   6.279   0.459
  323   HD12  LEU  45          HD12      LEU  45   3.423   5.819   1.319
  324   HD13  LEU  45          HD13      LEU  45   3.387   7.154   0.162
  325   HD21  LEU  45          HD21      LEU  45   1.522   5.942  -1.037
  326   HD22  LEU  45          HD22      LEU  45   1.640   4.648   0.162
  327   HD23  LEU  45          HD23      LEU  45   1.776   4.278  -1.563
  328    H    MET  46           HN       MET  46   3.261   6.640  -5.001
  329    HA   MET  46           HA       MET  46   0.592   6.018  -5.338
  330    HB2  MET  46           HB2      MET  46   2.521   7.015  -7.428
  331    HB3  MET  46           HB1      MET  46   0.780   6.963  -7.625
  332    HG2  MET  46           HG2      MET  46   0.654   8.409  -5.574
  333    HG3  MET  46           HG1      MET  46   2.384   8.611  -5.742
  334    HE1  MET  46           HE1      MET  46   2.953   8.593  -8.803
  335    HE2  MET  46           HE2      MET  46   3.642   9.793  -7.713
  336    HE3  MET  46           HE3      MET  46   2.862  10.303  -9.211
  337    H    GLU  47           HN       GLU  47   3.388   4.512  -6.928
  338    HA   GLU  47           HA       GLU  47   1.985   2.925  -8.758
  339    HB2  GLU  47           HB2      GLU  47   4.599   2.298  -7.352
  340    HB3  GLU  47           HB1      GLU  47   3.970   1.417  -8.730
  341    HG2  GLU  47           HG2      GLU  47   4.143   3.485 -10.081
  342    HG3  GLU  47           HG1      GLU  47   4.832   4.294  -8.678
  343    H    THR  48           HN       THR  48   2.870   2.367  -5.417
  344    HA   THR  48           HA       THR  48   2.002  -0.267  -5.104
  345    HB   THR  48           HB       THR  48   1.996   1.979  -3.068
  346    HG1  THR  48           HG1      THR  48   4.017   0.875  -4.418
  347   HG21  THR  48          HG21      THR  48   0.829  -0.024  -2.278
  348   HG22  THR  48          HG22      THR  48   2.363   0.169  -1.429
  349   HG23  THR  48          HG23      THR  48   2.213  -1.020  -2.727
  350    H    ALA  49           HN       ALA  49   0.304   2.774  -4.306
  351    HA   ALA  49           HA       ALA  49  -2.079   1.565  -3.446
  352    HB1  ALA  49           HB1      ALA  49  -1.441   3.847  -2.855
  353    HB2  ALA  49           HB2      ALA  49  -3.064   3.777  -3.549
  354    HB3  ALA  49           HB3      ALA  49  -1.711   4.347  -4.524
  355    H    ALA  50           HN       ALA  50  -1.318   3.094  -6.578
  356    HA   ALA  50           HA       ALA  50  -3.848   2.672  -7.736
  357    HB1  ALA  50           HB1      ALA  50  -2.228   4.303  -8.606
  358    HB2  ALA  50           HB2      ALA  50  -2.782   3.202  -9.869
  359    HB3  ALA  50           HB3      ALA  50  -1.194   2.978  -9.139
  360    H    ARG  51           HN       ARG  51  -1.175   0.582  -7.288
  361    HA   ARG  51           HA       ARG  51  -1.643  -1.361  -9.294
  362    HB2  ARG  51           HB2      ARG  51   0.334  -0.983  -7.605
  363    HB3  ARG  51           HB1      ARG  51  -0.613  -2.022  -6.560
  364    HG2  ARG  51           HG2      ARG  51   1.011  -3.357  -7.645
  365    HG3  ARG  51           HG1      ARG  51  -0.552  -3.736  -8.375
  366    HD2  ARG  51           HD2      ARG  51  -0.083  -2.463 -10.300
  367    HD3  ARG  51           HD1      ARG  51   1.285  -1.670  -9.534
  368    HE   ARG  51           HE       ARG  51   1.710  -4.478  -9.667
  369   HH11  ARG  51          HH11      ARG  51   1.613  -1.742 -11.874
  370   HH12  ARG  51          HH12      ARG  51   3.001  -2.208 -12.751
  371   HH21  ARG  51          HH21      ARG  51   3.428  -5.184 -10.825
  372   HH22  ARG  51          HH22      ARG  51   4.041  -4.334 -12.204
  373    H    LEU  52           HN       LEU  52  -2.621  -1.003  -5.918
  374    HA   LEU  52           HA       LEU  52  -4.180  -3.399  -5.885
  375    HB2  LEU  52           HB2      LEU  52  -4.070  -1.111  -3.928
  376    HB3  LEU  52           HB1      LEU  52  -4.920  -2.618  -3.653
  377    HG   LEU  52           HG       LEU  52  -1.940  -2.302  -3.978
  378   HD11  LEU  52          HD11      LEU  52  -1.841  -2.922  -1.632
  379   HD12  LEU  52          HD12      LEU  52  -3.597  -3.013  -1.570
  380   HD13  LEU  52          HD13      LEU  52  -2.806  -1.462  -1.853
  381   HD21  LEU  52          HD21      LEU  52  -2.709  -4.432  -4.894
  382   HD22  LEU  52          HD22      LEU  52  -3.592  -4.772  -3.403
  383   HD23  LEU  52          HD23      LEU  52  -1.830  -4.683  -3.385
  384    H    GLU  53           HN       GLU  53  -4.846   0.040  -6.270
  385    HA   GLU  53           HA       GLU  53  -7.626  -0.111  -6.185
  386    HB2  GLU  53           HB2      GLU  53  -5.919   1.764  -7.832
  387    HB3  GLU  53           HB1      GLU  53  -7.640   1.948  -7.534
  388    HG2  GLU  53           HG2      GLU  53  -7.165   2.144  -5.126
  389    HG3  GLU  53           HG1      GLU  53  -5.440   2.085  -5.497
  390    H    SER  54           HN       SER  54  -5.406  -0.561  -8.881
  391    HA   SER  54           HA       SER  54  -7.494  -1.039 -10.771
  392    HB2  SER  54           HB2      SER  54  -4.555  -1.741 -10.955
  393    HB3  SER  54           HB1      SER  54  -5.695  -1.611 -12.297
  394    HG   SER  54           HG       SER  54  -4.632   0.413 -10.648
  395    H    ARG  55           HN       ARG  55  -5.687  -3.028  -8.556
  396    HA   ARG  55           HA       ARG  55  -6.237  -5.494  -9.904
  397    HB2  ARG  55           HB2      ARG  55  -4.182  -5.226  -8.594
  398    HB3  ARG  55           HB1      ARG  55  -5.126  -5.035  -7.127
  399    HG2  ARG  55           HG2      ARG  55  -5.936  -7.316  -7.332
  400    HG3  ARG  55           HG1      ARG  55  -5.038  -7.511  -8.835
  401    HD2  ARG  55           HD2      ARG  55  -3.819  -6.906  -6.142
  402    HD3  ARG  55           HD1      ARG  55  -3.910  -8.510  -6.861
  403    HE   ARG  55           HE       ARG  55  -2.627  -6.752  -8.661
  404   HH11  ARG  55          HH11      ARG  55  -2.016  -8.379  -5.570
  405   HH12  ARG  55          HH12      ARG  55  -0.326  -8.467  -5.817
  406   HH21  ARG  55          HH21      ARG  55  -0.348  -6.914  -8.993
  407   HH22  ARG  55          HH22      ARG  55   0.675  -7.568  -7.827
  408    H    TYR  56           HN       TYR  56  -7.650  -3.879  -7.046
  409    HA   TYR  56           HA       TYR  56  -9.691  -5.997  -7.108
  410    HB2  TYR  56           HB2      TYR  56  -8.687  -4.455  -4.712
  411    HB3  TYR  56           HB1      TYR  56 -10.114  -5.487  -4.679
  412    HD1  TYR  56           HD1      TYR  56  -9.831  -7.932  -5.268
  413    HD2  TYR  56           HD2      TYR  56  -6.533  -5.383  -4.437
  414    HE1  TYR  56           HE1      TYR  56  -8.421  -9.899  -4.878
  415    HE2  TYR  56           HE2      TYR  56  -5.110  -7.335  -4.014
  416    HH   TYR  56           HH       TYR  56  -5.190  -9.697  -3.606
  417    H    GLY  57           HN       GLY  57  -9.308  -2.843  -7.904
  418    HA2  GLY  57           HA2      GLY  57 -10.852  -1.316  -8.622
  419    HA3  GLY  57           HA1      GLY  57 -12.114  -2.482  -8.228
  420    H    VAL  58           HN       VAL  58  -9.781  -0.335  -6.605
  421    HA   VAL  58           HA       VAL  58 -11.963   0.289  -4.769
  422    HB   VAL  58           HB       VAL  58 -10.662   0.313  -2.851
  423   HG11  VAL  58          HG11      VAL  58  -9.435  -1.785  -2.681
  424   HG12  VAL  58          HG12      VAL  58  -9.525  -1.948  -4.434
  425   HG13  VAL  58          HG13      VAL  58 -11.003  -1.935  -3.473
  426   HG21  VAL  58          HG21      VAL  58  -8.772   1.659  -3.603
  427   HG22  VAL  58          HG22      VAL  58  -8.049   0.236  -4.392
  428   HG23  VAL  58          HG23      VAL  58  -8.290   0.280  -2.633
  429    H    SER  59           HN       SER  59 -11.122   2.455  -3.455
  430    HA   SER  59           HA       SER  59  -9.977   4.285  -5.380
  431    HB2  SER  59           HB2      SER  59 -11.882   5.899  -4.762
  432    HB3  SER  59           HB1      SER  59 -12.270   4.583  -5.870
  433    HG   SER  59           HG       SER  59 -13.599   3.792  -4.469
  434    H    ILE  60           HN       ILE  60  -8.291   5.066  -4.318
  435    HA   ILE  60           HA       ILE  60  -8.337   5.376  -1.442
  436    HB   ILE  60           HB       ILE  60  -6.221   6.124  -3.488
  437   HG12  ILE  60          HG12      ILE  60  -6.536   3.709  -3.325
  438   HG13  ILE  60          HG11      ILE  60  -4.989   4.171  -2.630
  439   HG21  ILE  60          HG21      ILE  60  -4.681   6.389  -1.600
  440   HG22  ILE  60          HG22      ILE  60  -6.019   6.127  -0.481
  441   HG23  ILE  60          HG23      ILE  60  -6.012   7.541  -1.535
  442   HD11  ILE  60          HD11      ILE  60  -7.498   3.513  -1.096
  443   HD12  ILE  60          HD12      ILE  60  -5.955   3.976  -0.389
  444   HD13  ILE  60          HD13      ILE  60  -6.091   2.469  -1.294
  445    HA   PRO  61           HA       PRO  61  -9.718   9.627  -1.800
  446    HB2  PRO  61           HB2      PRO  61  -9.305   9.844   1.077
  447    HB3  PRO  61           HB1      PRO  61 -10.829   9.830   0.184
  448    HG2  PRO  61           HG2      PRO  61 -10.066   7.798   1.816
  449    HG3  PRO  61           HG1      PRO  61 -11.075   7.551   0.379
  450    HD2  PRO  61           HD2      PRO  61  -8.133   7.163   0.727
  451    HD3  PRO  61           HD1      PRO  61  -9.296   6.087  -0.062
  452    H    ASP  62           HN       ASP  62  -8.375  11.175  -2.426
  453    HA   ASP  62           HA       ASP  62  -5.623  11.211  -2.002
  454    HB2  ASP  62           HB2      ASP  62  -5.647  13.448  -3.064
  455    HB3  ASP  62           HB1      ASP  62  -6.577  12.249  -3.954
  456    H    ASP  63           HN       ASP  63  -8.132  12.635  -0.077
  457    HA   ASP  63           HA       ASP  63  -6.418  14.407   1.354
  458    HB2  ASP  63           HB2      ASP  63  -9.114  13.243   2.083
  459    HB3  ASP  63           HB1      ASP  63  -8.253  14.386   3.101
  460    H    VAL  64           HN       VAL  64  -7.307  11.080   1.684
  461    HA   VAL  64           HA       VAL  64  -6.068  10.834   4.277
  462    HB   VAL  64           HB       VAL  64  -7.322   8.698   2.518
  463   HG11  VAL  64          HG11      VAL  64  -7.449   7.332   4.515
  464   HG12  VAL  64          HG12      VAL  64  -6.587   8.574   5.445
  465   HG13  VAL  64          HG13      VAL  64  -5.775   7.723   4.124
  466   HG21  VAL  64          HG21      VAL  64  -9.255   8.873   4.022
  467   HG22  VAL  64          HG22      VAL  64  -8.940  10.373   3.152
  468   HG23  VAL  64          HG23      VAL  64  -8.475  10.222   4.848
  469    H    ALA  65           HN       ALA  65  -5.133  10.670   1.077
  470    HA   ALA  65           HA       ALA  65  -3.170   8.679   1.051
  471    HB1  ALA  65           HB1      ALA  65  -3.222  11.234  -0.553
  472    HB2  ALA  65           HB2      ALA  65  -4.060   9.742  -0.971
  473    HB3  ALA  65           HB3      ALA  65  -2.300   9.783  -0.941
  474    H    GLY  66           HN       GLY  66  -3.030  11.980   2.218
  475    HA2  GLY  66           HA2      GLY  66  -0.122  11.882   2.515
  476    HA3  GLY  66           HA1      GLY  66  -1.157  13.244   2.901
  477    H    ARG  67           HN       ARG  67  -2.174  10.248   4.148
  478    HA   ARG  67           HA       ARG  67  -1.265  11.070   6.823
  479    HB2  ARG  67           HB2      ARG  67  -3.795   9.853   5.836
  480    HB3  ARG  67           HB1      ARG  67  -3.298   9.640   7.508
  481    HG2  ARG  67           HG2      ARG  67  -3.514  11.900   7.988
  482    HG3  ARG  67           HG1      ARG  67  -3.464  12.361   6.286
  483    HD2  ARG  67           HD2      ARG  67  -5.717  12.449   7.465
  484    HD3  ARG  67           HD1      ARG  67  -5.656  11.647   5.908
  485    HE   ARG  67           HE       ARG  67  -5.283   9.692   7.861
  486   HH11  ARG  67          HH11      ARG  67  -7.869  11.939   6.890
  487   HH12  ARG  67          HH12      ARG  67  -9.117  10.908   7.404
  488   HH21  ARG  67          HH21      ARG  67  -6.973   8.279   8.457
  489   HH22  ARG  67          HH22      ARG  67  -8.614   8.723   8.245
  490    H    VAL  68           HN       VAL  68  -0.599   8.798   4.531
  491    HA   VAL  68           HA       VAL  68  -0.460   6.608   6.455
  492    HB   VAL  68           HB       VAL  68  -0.098   5.106   4.502
  493   HG11  VAL  68          HG11      VAL  68  -2.326   5.433   5.399
  494   HG12  VAL  68          HG12      VAL  68  -2.392   5.219   3.652
  495   HG13  VAL  68          HG13      VAL  68  -2.562   6.832   4.352
  496   HG21  VAL  68          HG21      VAL  68  -0.677   7.565   2.833
  497   HG22  VAL  68          HG22      VAL  68  -0.513   5.909   2.228
  498   HG23  VAL  68          HG23      VAL  68   0.874   6.737   2.933
  499    H    ASP  69           HN       ASP  69   1.389   6.599   7.592
  500    HA   ASP  69           HA       ASP  69   3.822   6.812   5.968
  501    HB2  ASP  69           HB2      ASP  69   5.170   7.337   7.963
  502    HB3  ASP  69           HB1      ASP  69   3.897   8.511   7.739
  503    H    THR  70           HN       THR  70   1.867   4.741   7.646
  504    HA   THR  70           HA       THR  70   3.911   2.682   7.324
  505    HB   THR  70           HB       THR  70   2.725   1.415   9.181
  506    HG1  THR  70           HG1      THR  70   1.374   3.898   9.382
  507   HG21  THR  70          HG21      THR  70   4.859   2.491   9.530
  508   HG22  THR  70          HG22      THR  70   3.866   2.651  10.985
  509   HG23  THR  70          HG23      THR  70   4.054   4.022   9.879
  510    HA   PRO  71           HA       PRO  71   1.292   0.593   4.353
  511    HB2  PRO  71           HB2      PRO  71   2.340  -1.744   5.924
  512    HB3  PRO  71           HB1      PRO  71   2.198  -1.558   4.157
  513    HG2  PRO  71           HG2      PRO  71   4.529  -1.211   5.227
  514    HG3  PRO  71           HG1      PRO  71   3.939   0.027   4.101
  515    HD2  PRO  71           HD2      PRO  71   4.006   0.087   7.093
  516    HD3  PRO  71           HD1      PRO  71   4.437   1.364   5.939
  517    H    ARG  72           HN       ARG  72   1.189  -0.190   7.735
  518    HA   ARG  72           HA       ARG  72  -1.105  -1.718   7.995
  519    HB2  ARG  72           HB2      ARG  72   0.318  -1.306   9.867
  520    HB3  ARG  72           HB1      ARG  72   0.081   0.426   9.748
  521    HG2  ARG  72           HG2      ARG  72  -2.292   0.098  10.381
  522    HG3  ARG  72           HG1      ARG  72  -1.948  -1.618  10.609
  523    HD2  ARG  72           HD2      ARG  72  -1.881  -0.259  12.702
  524    HD3  ARG  72           HD1      ARG  72  -0.399  -1.154  12.361
  525    HE   ARG  72           HE       ARG  72   0.607   0.895  11.633
  526   HH11  ARG  72          HH11      ARG  72  -2.528   1.378  13.211
  527   HH12  ARG  72          HH12      ARG  72  -2.154   2.914  13.823
  528   HH21  ARG  72          HH21      ARG  72   1.130   3.039  12.459
  529   HH22  ARG  72          HH22      ARG  72  -0.012   3.864  13.422
  530    H    GLU  73           HN       GLU  73  -0.771   1.798   7.750
  531    HA   GLU  73           HA       GLU  73  -3.529   2.403   8.168
  532    HB2  GLU  73           HB2      GLU  73  -1.326   4.072   6.974
  533    HB3  GLU  73           HB1      GLU  73  -2.847   4.660   7.642
  534    HG2  GLU  73           HG2      GLU  73  -2.216   3.935   9.836
  535    HG3  GLU  73           HG1      GLU  73  -0.745   3.192   9.204
  536    H    LEU  74           HN       LEU  74  -1.423   1.933   5.434
  537    HA   LEU  74           HA       LEU  74  -3.147   2.872   3.369
  538    HB2  LEU  74           HB2      LEU  74  -0.571   2.275   3.393
  539    HB3  LEU  74           HB1      LEU  74  -1.120   0.660   3.036
  540    HG   LEU  74           HG       LEU  74  -1.518   3.096   1.287
  541   HD11  LEU  74          HD11      LEU  74   0.064   2.015  -0.212
  542   HD12  LEU  74          HD12      LEU  74   0.284   0.720   0.958
  543   HD13  LEU  74          HD13      LEU  74   0.783   2.365   1.358
  544   HD21  LEU  74          HD21      LEU  74  -2.188   0.202   0.713
  545   HD22  LEU  74          HD22      LEU  74  -2.321   1.550  -0.423
  546   HD23  LEU  74          HD23      LEU  74  -3.349   1.493   1.010
  547    H    LEU  75           HN       LEU  75  -2.465  -0.302   4.765
  548    HA   LEU  75           HA       LEU  75  -4.230  -1.874   3.251
  549    HB2  LEU  75           HB2      LEU  75  -2.379  -2.695   4.700
  550    HB3  LEU  75           HB1      LEU  75  -3.327  -2.262   6.107
  551    HG   LEU  75           HG       LEU  75  -5.061  -3.908   5.320
  552   HD11  LEU  75          HD11      LEU  75  -2.889  -4.711   3.413
  553   HD12  LEU  75          HD12      LEU  75  -4.453  -4.003   2.989
  554   HD13  LEU  75          HD13      LEU  75  -4.378  -5.604   3.726
  555   HD21  LEU  75          HD21      LEU  75  -3.805  -5.860   6.105
  556   HD22  LEU  75          HD22      LEU  75  -3.490  -4.448   7.108
  557   HD23  LEU  75          HD23      LEU  75  -2.299  -4.971   5.916
  558    H    ASP  76           HN       ASP  76  -4.568  -0.324   6.407
  559    HA   ASP  76           HA       ASP  76  -7.131  -1.188   7.092
  560    HB2  ASP  76           HB2      ASP  76  -5.586  -0.136   8.677
  561    HB3  ASP  76           HB1      ASP  76  -5.745   1.397   7.835
  562    H    LEU  77           HN       LEU  77  -6.095   1.643   5.290
  563    HA   LEU  77           HA       LEU  77  -8.568   2.916   5.033
  564    HB2  LEU  77           HB2      LEU  77  -6.468   4.016   4.528
  565    HB3  LEU  77           HB1      LEU  77  -6.174   2.910   3.208
  566    HG   LEU  77           HG       LEU  77  -8.094   3.855   1.999
  567   HD11  LEU  77          HD11      LEU  77  -8.173   5.783   4.298
  568   HD12  LEU  77          HD12      LEU  77  -9.384   4.558   3.915
  569   HD13  LEU  77          HD13      LEU  77  -9.124   5.918   2.810
  570   HD21  LEU  77          HD21      LEU  77  -6.036   5.859   2.918
  571   HD22  LEU  77          HD22      LEU  77  -7.037   6.001   1.473
  572   HD23  LEU  77          HD23      LEU  77  -5.844   4.703   1.595
  573    H    ILE  78           HN       ILE  78  -6.993   0.506   2.980
  574    HA   ILE  78           HA       ILE  78  -9.048   0.598   1.003
  575    HB   ILE  78           HB       ILE  78  -6.837  -1.445   1.426
  576   HG12  ILE  78          HG12      ILE  78  -7.090   0.927  -0.439
  577   HG13  ILE  78          HG11      ILE  78  -5.995   0.784   0.926
  578   HG21  ILE  78          HG21      ILE  78  -8.706  -2.405   0.173
  579   HG22  ILE  78          HG22      ILE  78  -7.306  -2.161  -0.875
  580   HG23  ILE  78          HG23      ILE  78  -8.667  -1.042  -0.943
  581   HD11  ILE  78          HD11      ILE  78  -5.917  -0.869  -1.590
  582   HD12  ILE  78          HD12      ILE  78  -4.797  -1.010  -0.233
  583   HD13  ILE  78          HD13      ILE  78  -4.846   0.472  -1.187
  584    H    ASN  79           HN       ASN  79  -8.126  -1.701   3.538
  585    HA   ASN  79           HA       ASN  79 -10.167  -3.559   3.103
  586    HB2  ASN  79           HB2      ASN  79  -8.722  -2.842   5.660
  587    HB3  ASN  79           HB1      ASN  79  -9.853  -4.170   5.542
  588   HD21  ASN  79          HD21      ASN  79  -8.821  -4.722   2.743
  589   HD22  ASN  79          HD22      ASN  79  -7.341  -5.579   3.012
  590    H    GLY  80           HN       GLY  80 -10.131  -0.612   5.030
  591    HA2  GLY  80           HA2      GLY  80 -12.674  -0.920   6.185
  592    HA3  GLY  80           HA1      GLY  80 -11.784   0.584   6.003
  593    H    ALA  81           HN       ALA  81 -11.606   0.824   3.212
  594    HA   ALA  81           HA       ALA  81 -14.148   1.922   2.715
  595    HB1  ALA  81           HB1      ALA  81 -11.836   1.465   0.837
  596    HB2  ALA  81           HB2      ALA  81 -12.099   2.896   1.828
  597    HB3  ALA  81           HB3      ALA  81 -13.225   2.508   0.525
  598    H    LEU  82           HN       LEU  82 -12.506  -0.973   1.552
  599    HA   LEU  82           HA       LEU  82 -14.288  -1.770  -0.393
  600    HB2  LEU  82           HB2      LEU  82 -12.460  -3.328   1.370
  601    HB3  LEU  82           HB1      LEU  82 -13.503  -4.136   0.215
  602    HG   LEU  82           HG       LEU  82 -11.524  -2.001  -0.567
  603   HD11  LEU  82          HD11      LEU  82 -11.276  -5.002  -0.711
  604   HD12  LEU  82          HD12      LEU  82 -10.367  -3.942   0.366
  605   HD13  LEU  82          HD13      LEU  82 -10.141  -3.834  -1.378
  606   HD21  LEU  82          HD21      LEU  82 -11.908  -2.932  -2.802
  607   HD22  LEU  82          HD22      LEU  82 -13.377  -2.264  -2.112
  608   HD23  LEU  82          HD23      LEU  82 -13.130  -4.011  -2.138
  609    H    ALA  83           HN       ALA  83 -14.726  -2.078   3.036
  610    HA   ALA  83           HA       ALA  83 -16.742  -4.071   2.889
  611    HB1  ALA  83           HB1      ALA  83 -16.316  -2.000   5.037
  612    HB2  ALA  83           HB2      ALA  83 -15.541  -3.589   4.967
  613    HB3  ALA  83           HB3      ALA  83 -17.293  -3.463   5.167
  614    H    GLU  84           HN       GLU  84 -16.771  -0.602   2.577
  615    HA   GLU  84           HA       GLU  84 -19.691  -0.604   2.464
  616    HB2  GLU  84           HB2      GLU  84 -17.742   1.696   2.476
  617    HB3  GLU  84           HB1      GLU  84 -19.496   1.839   2.490
  618    HG2  GLU  84           HG2      GLU  84 -19.550   0.662   4.640
  619    HG3  GLU  84           HG1      GLU  84 -17.789   0.602   4.628
  620    H    ALA  85           HN       ALA  85 -17.134  -1.020   0.480
  621    HA   ALA  85           HA       ALA  85 -18.291   0.303  -1.850
  622    HB1  ALA  85           HB1      ALA  85 -15.740  -1.302  -1.579
  623    HB2  ALA  85           HB2      ALA  85 -15.857   0.456  -1.502
  624    HB3  ALA  85           HB3      ALA  85 -16.245  -0.385  -3.000
  625    H    ALA  86           HN       ALA  86 -18.744  -2.399  -0.202
  626    HA   ALA  86           HA       ALA  86 -19.850  -4.283  -0.460
  627    HB1  ALA  86           HB1      ALA  86 -20.296  -3.535  -3.359
  628    HB2  ALA  86           HB2      ALA  86 -21.356  -3.089  -2.023
  629    HB3  ALA  86           HB3      ALA  86 -21.155  -4.786  -2.462
  630   H28A  SXR 101          H28A      SXR  42   3.227  12.466  -5.957
  631   H28B  SXR 101          H28B      SXR  42   3.206  11.156  -4.776
  632   H30A  SXR 101          H30A      SXR  42   1.832  14.516  -3.418
  633   H30B  SXR 101          H30B      SXR  42   0.753  14.568  -4.820
  634   H30C  SXR 101          H30C      SXR  42   2.512  14.545  -5.045
  635   H31A  SXR 101          H31A      SXR  42  -0.091  12.992  -5.651
  636   H31B  SXR 101          H31B      SXR  42   0.161  11.321  -5.144
  637   H31C  SXR 101          H31C      SXR  42   1.139  12.002  -6.445
  638   H32A  SXR 101          H32A      SXR  42   1.924  12.570  -2.285
  639   H33A  SXR 101          H33A      SXR  42   0.665  10.334  -2.883
  640   H36A  SXR 101          H36A      SXR  42   0.095  14.175  -2.255
  641   H37A  SXR 101          H37A      SXR  42  -2.630  13.076  -2.505
  642   H37B  SXR 101          H37B      SXR  42  -2.106  13.712  -0.956
  643   H38A  SXR 101          H38A      SXR  42  -3.401  15.380  -2.127
  644   H38B  SXR 101          H38B      SXR  42  -1.732  15.923  -1.980
  645   H41A  SXR 101          H41A      SXR  42  -1.900  13.557  -4.336
  646   H42A  SXR 101          H42A      SXR  42  -2.572  15.332  -6.564
  647   H42B  SXR 101          H42B      SXR  42  -0.966  14.623  -6.494
  648   H43A  SXR 101          H43A      SXR  42  -1.921  12.386  -6.564
  649   H43B  SXR 101          H43B      SXR  42  -2.444  13.340  -7.963
  650   H11A  SXR 101          H11A      SXR  42  -3.346   6.205  -2.058
  651   H10A  SXR 101          H10A      SXR  42  -2.151   6.307   0.084
  652    H9A  SXR 101           H9A      SXR  42   0.048   7.461   0.230
  653    H8A  SXR 101           H8A      SXR  42   1.026   8.503  -1.795
  654    H7A  SXR 101           H7A      SXR  42  -0.188   8.392  -3.951
  655    H5A  SXR 101           H5A      SXR  42  -2.719   6.347  -5.072
  656    H5B  SXR 101           H5B      SXR  42  -3.494   6.925  -3.903
  657    H4A  SXR 101           H4A      SXR  42  -1.965   9.212  -5.388
  658    H4B  SXR 101           H4B      SXR  42  -2.713   8.095  -6.080
  659    H2A  SXR 101           H2A      SXR  42  -4.540  11.437  -4.230
  660    H2B  SXR 101           H2B      SXR  42  -3.176  10.859  -4.445
  661    H1A  SXR 101           H1A      SXR  42  -3.773  10.695  -7.244
  662    H1B  SXR 101           H1B      SXR  42  -5.103  10.840  -6.514
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1 -20.142 -11.522  -0.892
    2    H2   MET   1           HT2      MET   1 -19.357 -12.967  -0.419
    3    H3   MET   1           HT3      MET   1 -20.277 -12.983  -1.796
    4    HA   MET   1           HA       MET   1 -17.966 -12.989  -2.262
    5    HB2  MET   1           HB2      MET   1 -19.188 -10.279  -2.879
    6    HB3  MET   1           HB1      MET   1 -17.781 -10.958  -3.681
    7    HG2  MET   1           HG2      MET   1 -19.174 -12.772  -4.581
    8    HG3  MET   1           HG1      MET   1 -20.566 -12.081  -3.758
    9    HE1  MET   1           HE1      MET   1 -21.645  -9.707  -4.379
   10    HE2  MET   1           HE2      MET   1 -21.001  -8.654  -5.633
   11    HE3  MET   1           HE3      MET   1 -20.067  -8.931  -4.173
   12    H    ALA   2           HN       ALA   2 -16.792 -13.066  -0.330
   13    HA   ALA   2           HA       ALA   2 -15.924 -10.471   0.676
   14    HB1  ALA   2           HB1      ALA   2 -15.049 -11.709   2.606
   15    HB2  ALA   2           HB2      ALA   2 -15.597 -13.233   1.899
   16    HB3  ALA   2           HB3      ALA   2 -16.774 -12.014   2.389
   17    H    THR   3           HN       THR   3 -14.140  -9.754  -0.202
   18    HA   THR   3           HA       THR   3 -11.962 -11.587  -0.652
   19    HB   THR   3           HB       THR   3 -12.896  -9.677  -2.840
   20    HG1  THR   3           HG1      THR   3 -13.568 -12.239  -2.207
   21   HG21  THR   3          HG21      THR   3 -11.200 -10.824  -4.221
   22   HG22  THR   3          HG22      THR   3 -10.733 -11.814  -2.829
   23   HG23  THR   3          HG23      THR   3 -10.449 -10.079  -2.805
   24    H    LEU   4           HN       LEU   4 -11.381 -10.458   1.287
   25    HA   LEU   4           HA       LEU   4 -10.518  -7.708   0.885
   26    HB2  LEU   4           HB2      LEU   4 -10.609  -9.425   3.373
   27    HB3  LEU   4           HB1      LEU   4  -9.982  -7.796   3.346
   28    HG   LEU   4           HG       LEU   4 -12.098  -7.677   4.330
   29   HD11  LEU   4          HD11      LEU   4 -13.406  -6.256   2.823
   30   HD12  LEU   4          HD12      LEU   4 -12.402  -6.771   1.478
   31   HD13  LEU   4          HD13      LEU   4 -11.694  -5.864   2.812
   32   HD21  LEU   4          HD21      LEU   4 -13.234  -9.253   2.007
   33   HD22  LEU   4          HD22      LEU   4 -14.194  -8.549   3.310
   34   HD23  LEU   4          HD23      LEU   4 -13.020  -9.823   3.649
   35    H    LEU   5           HN       LEU   5  -8.410  -7.159   1.027
   36    HA   LEU   5           HA       LEU   5  -6.608  -9.265   0.274
   37    HB2  LEU   5           HB2      LEU   5  -4.945  -7.583  -0.223
   38    HB3  LEU   5           HB1      LEU   5  -6.475  -7.150  -0.928
   39    HG   LEU   5           HG       LEU   5  -5.727  -5.883   1.697
   40   HD11  LEU   5          HD11      LEU   5  -4.488  -4.146   0.509
   41   HD12  LEU   5          HD12      LEU   5  -4.645  -5.043  -0.993
   42   HD13  LEU   5          HD13      LEU   5  -3.695  -5.714   0.333
   43   HD21  LEU   5          HD21      LEU   5  -7.168  -4.987  -0.789
   44   HD22  LEU   5          HD22      LEU   5  -6.778  -3.938   0.541
   45   HD23  LEU   5          HD23      LEU   5  -7.905  -5.255   0.788
   46    H    THR   6           HN       THR   6  -4.658  -9.731   1.250
   47    HA   THR   6           HA       THR   6  -4.640  -9.287   4.139
   48    HB   THR   6           HB       THR   6  -3.205 -11.304   4.206
   49    HG1  THR   6           HG1      THR   6  -3.562 -11.220   1.382
   50   HG21  THR   6          HG21      THR   6  -5.890 -11.725   2.873
   51   HG22  THR   6          HG22      THR   6  -5.608 -11.503   4.601
   52   HG23  THR   6          HG23      THR   6  -4.982 -12.942   3.789
   53    H    THR   7           HN       THR   7  -2.078  -9.839   4.771
   54    HA   THR   7           HA       THR   7  -0.737  -7.549   3.831
   55    HB   THR   7           HB       THR   7   0.550  -9.759   5.442
   56    HG1  THR   7           HG1      THR   7  -0.466  -8.695   7.267
   57   HG21  THR   7          HG21      THR   7   1.919  -7.798   4.788
   58   HG22  THR   7          HG22      THR   7   1.622  -7.808   6.528
   59   HG23  THR   7          HG23      THR   7   0.697  -6.742   5.473
   60    H    ASP   8           HN       ASP   8  -0.973 -10.756   2.602
   61    HA   ASP   8           HA       ASP   8   1.615 -10.891   1.373
   62    HB2  ASP   8           HB2      ASP   8  -0.952 -12.384   0.933
   63    HB3  ASP   8           HB1      ASP   8   0.340 -12.502  -0.254
   64    H    ASP   9           HN       ASP   9  -1.566  -9.920   0.402
   65    HA   ASP   9           HA       ASP   9  -1.128  -9.276  -2.265
   66    HB2  ASP   9           HB2      ASP   9  -2.987  -7.862  -0.340
   67    HB3  ASP   9           HB1      ASP   9  -3.107  -7.920  -2.106
   68    H    LEU  10           HN       LEU  10  -1.043  -7.275   0.632
   69    HA   LEU  10           HA       LEU  10  -0.310  -4.847  -0.581
   70    HB2  LEU  10           HB2      LEU  10  -1.183  -5.087   1.746
   71    HB3  LEU  10           HB1      LEU  10   0.350  -5.783   2.215
   72    HG   LEU  10           HG       LEU  10   1.479  -3.663   1.704
   73   HD11  LEU  10          HD11      LEU  10   0.165  -1.648   1.316
   74   HD12  LEU  10          HD12      LEU  10  -1.297  -2.637   1.212
   75   HD13  LEU  10          HD13      LEU  10  -0.020  -2.821   0.006
   76   HD21  LEU  10          HD21      LEU  10   0.737  -4.139   3.962
   77   HD22  LEU  10          HD22      LEU  10  -0.849  -3.471   3.607
   78   HD23  LEU  10          HD23      LEU  10   0.565  -2.419   3.619
   79    H    ARG  11           HN       ARG  11   1.634  -7.447   0.800
   80    HA   ARG  11           HA       ARG  11   4.146  -6.255   0.435
   81    HB2  ARG  11           HB2      ARG  11   3.843  -8.080   2.006
   82    HB3  ARG  11           HB1      ARG  11   3.313  -9.151   0.729
   83    HG2  ARG  11           HG2      ARG  11   5.517  -9.297  -0.172
   84    HG3  ARG  11           HG1      ARG  11   6.073  -7.980   0.858
   85    HD2  ARG  11           HD2      ARG  11   6.791 -10.205   1.667
   86    HD3  ARG  11           HD1      ARG  11   5.807  -9.368   2.840
   87    HE   ARG  11           HE       ARG  11   4.341 -11.165   1.141
   88   HH11  ARG  11          HH11      ARG  11   6.152 -10.940   4.202
   89   HH12  ARG  11          HH12      ARG  11   5.439 -12.379   4.828
   90   HH21  ARG  11          HH21      ARG  11   3.339 -13.153   2.168
   91   HH22  ARG  11          HH22      ARG  11   3.929 -13.544   3.712
   92    H    ARG  12           HN       ARG  12   2.168  -8.298  -1.618
   93    HA   ARG  12           HA       ARG  12   3.975  -8.814  -3.702
   94    HB2  ARG  12           HB2      ARG  12   1.751  -9.903  -3.428
   95    HB3  ARG  12           HB1      ARG  12   1.002  -8.400  -3.886
   96    HG2  ARG  12           HG2      ARG  12   1.010  -9.896  -5.780
   97    HG3  ARG  12           HG1      ARG  12   2.065  -8.516  -6.125
   98    HD2  ARG  12           HD2      ARG  12   3.157 -10.520  -6.858
   99    HD3  ARG  12           HD1      ARG  12   3.990  -9.935  -5.411
  100    HE   ARG  12           HE       ARG  12   1.923 -11.980  -5.176
  101   HH11  ARG  12          HH11      ARG  12   5.337 -11.077  -4.714
  102   HH12  ARG  12          HH12      ARG  12   5.756 -12.571  -4.001
  103   HH21  ARG  12          HH21      ARG  12   2.555 -14.023  -4.364
  104   HH22  ARG  12          HH22      ARG  12   4.189 -14.315  -3.896
  105    H    ALA  13           HN       ALA  13   1.453  -6.420  -3.473
  106    HA   ALA  13           HA       ALA  13   1.955  -5.034  -5.865
  107    HB1  ALA  13           HB1      ALA  13   0.542  -3.270  -4.993
  108    HB2  ALA  13           HB2      ALA  13   0.710  -3.922  -3.359
  109    HB3  ALA  13           HB3      ALA  13  -0.128  -4.847  -4.607
  110    H    LEU  14           HN       LEU  14   3.335  -4.560  -2.691
  111    HA   LEU  14           HA       LEU  14   4.596  -2.080  -3.196
  112    HB2  LEU  14           HB2      LEU  14   4.079  -3.246  -0.973
  113    HB3  LEU  14           HB1      LEU  14   5.512  -4.210  -1.257
  114    HG   LEU  14           HG       LEU  14   6.864  -2.103  -1.226
  115   HD11  LEU  14          HD11      LEU  14   4.265  -0.865  -0.335
  116   HD12  LEU  14          HD12      LEU  14   5.090  -0.542  -1.856
  117   HD13  LEU  14          HD13      LEU  14   5.830  -0.062  -0.331
  118   HD21  LEU  14          HD21      LEU  14   6.742  -1.786   1.180
  119   HD22  LEU  14          HD22      LEU  14   6.644  -3.495   0.768
  120   HD23  LEU  14          HD23      LEU  14   5.186  -2.620   1.226
  121    H    VAL  15           HN       VAL  15   5.486  -5.434  -3.756
  122    HA   VAL  15           HA       VAL  15   8.187  -4.840  -4.546
  123    HB   VAL  15           HB       VAL  15   6.590  -7.420  -4.786
  124   HG11  VAL  15          HG11      VAL  15   9.567  -7.006  -5.196
  125   HG12  VAL  15          HG12      VAL  15   8.392  -7.384  -6.449
  126   HG13  VAL  15          HG13      VAL  15   8.728  -8.562  -5.178
  127   HG21  VAL  15          HG21      VAL  15   7.962  -8.191  -2.895
  128   HG22  VAL  15          HG22      VAL  15   7.006  -6.785  -2.471
  129   HG23  VAL  15          HG23      VAL  15   8.720  -6.604  -2.807
  130    H    GLU  16           HN       GLU  16   5.092  -4.857  -6.096
  131    HA   GLU  16           HA       GLU  16   6.034  -5.422  -8.720
  132    HB2  GLU  16           HB2      GLU  16   3.499  -3.977  -7.889
  133    HB3  GLU  16           HB1      GLU  16   3.871  -4.441  -9.531
  134    HG2  GLU  16           HG2      GLU  16   3.937  -6.830  -8.748
  135    HG3  GLU  16           HG1      GLU  16   3.369  -6.238  -7.179
  136    H    SER  17           HN       SER  17   5.860  -2.526  -6.796
  137    HA   SER  17           HA       SER  17   6.416  -0.814  -9.036
  138    HB2  SER  17           HB2      SER  17   6.566   0.933  -7.199
  139    HB3  SER  17           HB1      SER  17   5.025   0.084  -7.347
  140    HG   SER  17           HG       SER  17   5.433  -0.107  -5.219
  141    H    ALA  18           HN       ALA  18   8.192  -2.241  -6.309
  142    HA   ALA  18           HA       ALA  18  10.653  -1.314  -7.596
  143    HB1  ALA  18           HB1      ALA  18  10.219  -1.516  -4.610
  144    HB2  ALA  18           HB2      ALA  18  10.264  -0.018  -5.544
  145    HB3  ALA  18           HB3      ALA  18  11.705  -1.020  -5.415
  146    H    GLY  19           HN       GLY  19  10.614  -3.333  -8.686
  147    HA2  GLY  19           HA2      GLY  19  11.492  -5.574  -6.965
  148    HA3  GLY  19           HA1      GLY  19  10.569  -5.790  -8.439
  149    H    GLU  20           HN       GLU  20  12.828  -3.328  -8.725
  150    HA   GLU  20           HA       GLU  20  14.488  -5.094 -10.367
  151    HB2  GLU  20           HB2      GLU  20  14.224  -2.082 -10.355
  152    HB3  GLU  20           HB1      GLU  20  15.397  -2.953 -11.333
  153    HG2  GLU  20           HG2      GLU  20  13.562  -4.137 -12.458
  154    HG3  GLU  20           HG1      GLU  20  12.409  -3.245 -11.483
  155    H    THR  21           HN       THR  21  14.526  -4.302  -7.339
  156    HA   THR  21           HA       THR  21  17.416  -4.349  -7.201
  157    HB   THR  21           HB       THR  21  17.078  -2.900  -5.032
  158    HG1  THR  21           HG1      THR  21  14.986  -1.763  -6.546
  159   HG21  THR  21          HG21      THR  21  17.446  -0.823  -6.311
  160   HG22  THR  21          HG22      THR  21  16.919  -1.637  -7.787
  161   HG23  THR  21          HG23      THR  21  18.399  -2.148  -6.985
  162    H    ASP  22           HN       ASP  22  17.824  -4.659  -4.539
  163    HA   ASP  22           HA       ASP  22  16.829  -7.272  -4.144
  164    HB2  ASP  22           HB2      ASP  22  18.514  -5.528  -2.323
  165    HB3  ASP  22           HB1      ASP  22  18.047  -7.185  -1.943
  166    H    GLY  23           HN       GLY  23  15.909  -4.153  -2.828
  167    HA2  GLY  23           HA2      GLY  23  13.579  -3.900  -2.237
  168    HA3  GLY  23           HA1      GLY  23  13.615  -5.553  -1.657
  169    H    THR  24           HN       THR  24  16.389  -4.397  -0.439
  170    HA   THR  24           HA       THR  24  17.103  -3.961   1.633
  171    HB   THR  24           HB       THR  24  16.064  -1.876   2.731
  172    HG1  THR  24           HG1      THR  24  14.159  -2.249   1.016
  173   HG21  THR  24          HG21      THR  24  17.132  -0.363   1.109
  174   HG22  THR  24          HG22      THR  24  17.235  -1.702  -0.031
  175   HG23  THR  24          HG23      THR  24  18.128  -1.762   1.493
  176    H    ASP  25           HN       ASP  25  15.101  -5.947   1.519
  177    HA   ASP  25           HA       ASP  25  13.968  -7.388   2.774
  178    HB2  ASP  25           HB2      ASP  25  15.822  -6.785   4.549
  179    HB3  ASP  25           HB1      ASP  25  14.546  -5.879   5.339
  180    H    LEU  26           HN       LEU  26  12.147  -7.274   4.752
  181    HA   LEU  26           HA       LEU  26  10.298  -5.170   4.727
  182    HB2  LEU  26           HB2      LEU  26  10.417  -5.680   2.204
  183    HB3  LEU  26           HB1      LEU  26   9.682  -7.226   2.576
  184    HG   LEU  26           HG       LEU  26   7.690  -5.971   3.459
  185   HD11  LEU  26          HD11      LEU  26   9.109  -3.625   2.262
  186   HD12  LEU  26          HD12      LEU  26   8.814  -3.891   3.972
  187   HD13  LEU  26          HD13      LEU  26   7.453  -3.637   2.867
  188   HD21  LEU  26          HD21      LEU  26   7.733  -6.913   1.198
  189   HD22  LEU  26          HD22      LEU  26   8.477  -5.432   0.600
  190   HD23  LEU  26          HD23      LEU  26   6.836  -5.391   1.234
  191    H    SER  27           HN       SER  27  10.389  -8.544   3.867
  192    HA   SER  27           HA       SER  27   9.347 -10.409   4.538
  193    HB2  SER  27           HB2      SER  27  10.221  -9.362   7.257
  194    HB3  SER  27           HB1      SER  27   9.915 -11.055   6.835
  195    HG   SER  27           HG       SER  27  12.074  -9.369   6.163
  196    H    GLY  28           HN       GLY  28   8.268  -9.405   7.632
  197    HA2  GLY  28           HA2      GLY  28   5.675  -8.644   6.574
  198    HA3  GLY  28           HA1      GLY  28   5.743 -10.093   7.580
  199    H    ASP  29           HN       ASP  29   7.955  -7.502   8.098
  200    HA   ASP  29           HA       ASP  29   6.584  -6.926  10.623
  201    HB2  ASP  29           HB2      ASP  29   9.586  -7.103  10.114
  202    HB3  ASP  29           HB1      ASP  29   8.831  -6.686  11.646
  203    H    PHE  30           HN       PHE  30   6.505  -5.781   8.027
  204    HA   PHE  30           HA       PHE  30   7.957  -3.307   8.215
  205    HB2  PHE  30           HB2      PHE  30   7.416  -2.956   5.850
  206    HB3  PHE  30           HB1      PHE  30   8.069  -4.556   6.138
  207    HD1  PHE  30           HD1      PHE  30   6.589  -6.577   5.979
  208    HD2  PHE  30           HD2      PHE  30   5.203  -2.674   4.988
  209    HE1  PHE  30           HE1      PHE  30   4.712  -7.553   4.756
  210    HE2  PHE  30           HE2      PHE  30   3.317  -3.654   3.770
  211    HZ   PHE  30           HZ       PHE  30   3.074  -6.099   3.641
  212    H    LEU  31           HN       LEU  31   5.179  -4.275   9.432
  213    HA   LEU  31           HA       LEU  31   3.382  -2.268   8.394
  214    HB2  LEU  31           HB2      LEU  31   3.015  -4.161  10.725
  215    HB3  LEU  31           HB1      LEU  31   1.788  -3.108  10.064
  216    HG   LEU  31           HG       LEU  31   3.110  -5.405   8.625
  217   HD11  LEU  31          HD11      LEU  31   0.319  -5.057   9.672
  218   HD12  LEU  31          HD12      LEU  31   1.568  -6.113  10.335
  219   HD13  LEU  31          HD13      LEU  31   0.912  -6.417   8.724
  220   HD21  LEU  31          HD21      LEU  31   1.466  -4.951   6.841
  221   HD22  LEU  31          HD22      LEU  31   2.588  -3.611   7.074
  222   HD23  LEU  31          HD23      LEU  31   0.952  -3.496   7.714
  223    H    ASP  32           HN       ASP  32   5.530  -2.484  11.134
  224    HA   ASP  32           HA       ASP  32   4.315  -0.141  12.391
  225    HB2  ASP  32           HB2      ASP  32   6.719  -1.774  13.245
  226    HB3  ASP  32           HB1      ASP  32   6.043  -0.417  14.131
  227    H    LEU  33           HN       LEU  33   6.553  -0.757  10.069
  228    HA   LEU  33           HA       LEU  33   8.298   1.420  10.829
  229    HB2  LEU  33           HB2      LEU  33   9.959   0.512   9.194
  230    HB3  LEU  33           HB1      LEU  33   9.239  -0.730  10.140
  231    HG   LEU  33           HG       LEU  33   7.853  -1.468   8.322
  232   HD11  LEU  33          HD11      LEU  33   7.626   0.584   7.027
  233   HD12  LEU  33          HD12      LEU  33   8.281  -0.746   6.063
  234   HD13  LEU  33          HD13      LEU  33   9.346   0.534   6.646
  235   HD21  LEU  33          HD21      LEU  33  10.778  -1.241   7.760
  236   HD22  LEU  33          HD22      LEU  33   9.690  -2.459   7.078
  237   HD23  LEU  33          HD23      LEU  33  10.008  -2.421   8.824
  238    H    ARG  34           HN       ARG  34   8.941   2.994   8.951
  239    HA   ARG  34           HA       ARG  34   6.382   4.047   7.967
  240    HB2  ARG  34           HB2      ARG  34   9.078   5.386   8.293
  241    HB3  ARG  34           HB1      ARG  34   7.607   6.159   7.763
  242    HG2  ARG  34           HG2      ARG  34   6.613   5.986   9.881
  243    HG3  ARG  34           HG1      ARG  34   7.860   4.855  10.449
  244    HD2  ARG  34           HD2      ARG  34   8.359   7.723   9.662
  245    HD3  ARG  34           HD1      ARG  34   8.227   7.137  11.329
  246    HE   ARG  34           HE       ARG  34  10.179   5.606  10.568
  247   HH11  ARG  34          HH11      ARG  34   9.752   8.961   9.533
  248   HH12  ARG  34          HH12      ARG  34  11.405   9.207   9.239
  249   HH21  ARG  34          HH21      ARG  34  12.432   5.915  10.094
  250   HH22  ARG  34          HH22      ARG  34  12.976   7.454   9.597
  251    H    PHE  35           HN       PHE  35   6.460   5.079   5.845
  252    HA   PHE  35           HA       PHE  35   7.694   3.409   3.907
  253    HB2  PHE  35           HB2      PHE  35   6.357   6.098   3.523
  254    HB3  PHE  35           HB1      PHE  35   6.810   4.978   2.228
  255    HD1  PHE  35           HD2      PHE  35   5.726   2.723   2.147
  256    HD2  PHE  35           HD1      PHE  35   4.342   5.840   4.688
  257    HE1  PHE  35           HE2      PHE  35   3.560   1.573   2.368
  258    HE2  PHE  35           HE1      PHE  35   2.173   4.701   4.919
  259    HZ   PHE  35           HZ       PHE  35   1.805   2.527   3.776
  260    H    GLU  36           HN       GLU  36   8.509   6.493   5.299
  261    HA   GLU  36           HA       GLU  36  10.662   7.305   3.659
  262    HB2  GLU  36           HB2      GLU  36  10.444   7.530   6.657
  263    HB3  GLU  36           HB1      GLU  36  11.483   8.488   5.598
  264    HG2  GLU  36           HG2      GLU  36   9.566   9.604   4.682
  265    HG3  GLU  36           HG1      GLU  36   8.485   8.543   5.597
  266    H    ASP  37           HN       ASP  37  10.317   5.064   6.272
  267    HA   ASP  37           HA       ASP  37  13.014   4.800   7.090
  268    HB2  ASP  37           HB2      ASP  37  10.671   4.258   8.223
  269    HB3  ASP  37           HB1      ASP  37  10.999   2.662   7.570
  270    H    ILE  38           HN       ILE  38  11.095   3.260   4.631
  271    HA   ILE  38           HA       ILE  38  13.263   1.351   4.179
  272    HB   ILE  38           HB       ILE  38  11.630  -0.006   2.814
  273   HG12  ILE  38          HG12      ILE  38   9.589   1.820   4.121
  274   HG13  ILE  38          HG11      ILE  38   9.963   1.814   2.405
  275   HG21  ILE  38          HG21      ILE  38  10.549  -1.002   4.797
  276   HG22  ILE  38          HG22      ILE  38  10.940   0.438   5.720
  277   HG23  ILE  38          HG23      ILE  38  12.241  -0.597   5.117
  278   HD11  ILE  38          HD11      ILE  38   8.732  -0.426   3.993
  279   HD12  ILE  38          HD12      ILE  38   9.116  -0.486   2.270
  280   HD13  ILE  38          HD13      ILE  38   7.884   0.628   2.859
  281    H    GLY  39           HN       GLY  39  12.890   4.172   3.228
  282    HA2  GLY  39           HA2      GLY  39  13.669   5.347   1.416
  283    HA3  GLY  39           HA1      GLY  39  14.315   3.830   0.815
  284    H    TYR  40           HN       TYR  40  10.870   4.350   1.335
  285    HA   TYR  40           HA       TYR  40  10.520   4.081  -1.533
  286    HB2  TYR  40           HB2      TYR  40   8.723   3.572   0.796
  287    HB3  TYR  40           HB1      TYR  40   7.992   4.107  -0.700
  288    HD1  TYR  40           HD2      TYR  40  10.496   1.645   0.475
  289    HD2  TYR  40           HD1      TYR  40   7.302   2.479  -2.200
  290    HE1  TYR  40           HE2      TYR  40  10.613  -0.643  -0.328
  291    HE2  TYR  40           HE1      TYR  40   7.390   0.170  -3.035
  292    HH   TYR  40           HH       TYR  40   9.377  -2.298  -1.566
  293    H    ASP  41           HN       ASP  41  10.602   5.856  -2.649
  294    HA   ASP  41           HA       ASP  41   9.870   8.405  -1.573
  295    HB2  ASP  41           HB2      ASP  41   9.997   7.728  -4.522
  296    HB3  ASP  41           HB1      ASP  41  10.118   9.300  -3.787
  297    H    SER  42           HN       SER  42   8.236   9.684  -2.808
  298    HA   SER  42           HA       SER  42   5.668   8.628  -2.411
  299    HB2  SER  42           HB2      SER  42   5.142  10.876  -3.541
  300    HB3  SER  42           HB1      SER  42   6.146  10.936  -2.083
  301    H    LEU  43           HN       LEU  43   7.753   9.057  -5.134
  302    HA   LEU  43           HA       LEU  43   5.927   8.717  -7.242
  303    HB2  LEU  43           HB2      LEU  43   8.180   9.654  -7.539
  304    HB3  LEU  43           HB1      LEU  43   8.886   8.102  -7.139
  305    HG   LEU  43           HG       LEU  43   8.007   7.136  -9.177
  306   HD11  LEU  43          HD11      LEU  43   6.933   8.551 -10.881
  307   HD12  LEU  43          HD12      LEU  43   6.916   9.897  -9.733
  308   HD13  LEU  43          HD13      LEU  43   5.976   8.438  -9.408
  309   HD21  LEU  43          HD21      LEU  43   9.485   9.728  -9.622
  310   HD22  LEU  43          HD22      LEU  43   9.419   8.379 -10.756
  311   HD23  LEU  43          HD23      LEU  43  10.214   8.182  -9.196
  312    H    ALA  44           HN       ALA  44   8.223   6.353  -5.837
  313    HA   ALA  44           HA       ALA  44   7.174   4.120  -7.154
  314    HB1  ALA  44           HB1      ALA  44   8.417   2.798  -5.503
  315    HB2  ALA  44           HB2      ALA  44   8.635   4.240  -4.508
  316    HB3  ALA  44           HB3      ALA  44   9.385   4.139  -6.101
  317    H    LEU  45           HN       LEU  45   6.263   5.750  -4.221
  318    HA   LEU  45           HA       LEU  45   4.627   3.679  -3.222
  319    HB2  LEU  45           HB2      LEU  45   5.711   5.664  -1.985
  320    HB3  LEU  45           HB1      LEU  45   4.328   6.578  -2.497
  321    HG   LEU  45           HG       LEU  45   4.096   4.064  -0.842
  322   HD11  LEU  45          HD11      LEU  45   3.829   5.524   1.068
  323   HD12  LEU  45          HD12      LEU  45   4.247   6.939   0.089
  324   HD13  LEU  45          HD13      LEU  45   5.427   5.647   0.360
  325   HD21  LEU  45          HD21      LEU  45   1.918   4.972  -0.241
  326   HD22  LEU  45          HD22      LEU  45   2.073   4.716  -1.989
  327   HD23  LEU  45          HD23      LEU  45   2.183   6.350  -1.325
  328    H    MET  46           HN       MET  46   3.846   6.596  -5.256
  329    HA   MET  46           HA       MET  46   1.106   6.097  -5.302
  330    HB2  MET  46           HB2      MET  46   2.897   7.292  -7.376
  331    HB3  MET  46           HB1      MET  46   1.153   7.191  -7.592
  332    HG2  MET  46           HG2      MET  46   1.057   8.404  -5.334
  333    HG3  MET  46           HG1      MET  46   2.749   8.761  -5.641
  334    HE1  MET  46           HE1      MET  46  -0.583  10.018  -8.589
  335    HE2  MET  46           HE2      MET  46  -0.903   9.118  -7.108
  336    HE3  MET  46           HE3      MET  46  -0.007   8.361  -8.429
  337    H    GLU  47           HN       GLU  47   3.609   4.731  -7.379
  338    HA   GLU  47           HA       GLU  47   2.018   3.291  -9.146
  339    HB2  GLU  47           HB2      GLU  47   4.742   2.609  -8.009
  340    HB3  GLU  47           HB1      GLU  47   3.990   1.793  -9.371
  341    HG2  GLU  47           HG2      GLU  47   4.611   4.744  -9.309
  342    HG3  GLU  47           HG1      GLU  47   5.664   3.514  -9.997
  343    H    THR  48           HN       THR  48   3.138   2.525  -5.937
  344    HA   THR  48           HA       THR  48   2.292  -0.143  -5.738
  345    HB   THR  48           HB       THR  48   2.573   1.923  -3.548
  346    HG1  THR  48           HG1      THR  48   4.560   1.782  -4.595
  347   HG21  THR  48          HG21      THR  48   1.412  -0.128  -2.825
  348   HG22  THR  48          HG22      THR  48   3.028  -0.032  -2.118
  349   HG23  THR  48          HG23      THR  48   2.733  -1.102  -3.474
  350    H    ALA  49           HN       ALA  49   0.740   2.879  -4.633
  351    HA   ALA  49           HA       ALA  49  -1.634   1.874  -3.547
  352    HB1  ALA  49           HB1      ALA  49  -1.232   4.505  -4.985
  353    HB2  ALA  49           HB2      ALA  49  -0.879   4.198  -3.285
  354    HB3  ALA  49           HB3      ALA  49  -2.534   4.114  -3.872
  355    H    ALA  50           HN       ALA  50  -0.968   2.955  -6.846
  356    HA   ALA  50           HA       ALA  50  -3.537   2.639  -7.880
  357    HB1  ALA  50           HB1      ALA  50  -1.769   3.936  -8.969
  358    HB2  ALA  50           HB2      ALA  50  -2.517   2.774 -10.071
  359    HB3  ALA  50           HB3      ALA  50  -0.928   2.438  -9.375
  360    H    ARG  51           HN       ARG  51  -1.075   0.242  -7.316
  361    HA   ARG  51           HA       ARG  51  -2.077  -1.782  -9.055
  362    HB2  ARG  51           HB2      ARG  51  -0.521  -2.125  -6.474
  363    HB3  ARG  51           HB1      ARG  51  -0.778  -3.363  -7.687
  364    HG2  ARG  51           HG2      ARG  51   0.717  -0.803  -8.095
  365    HG3  ARG  51           HG1      ARG  51   1.455  -2.387  -7.844
  366    HD2  ARG  51           HD2      ARG  51  -0.340  -1.610 -10.147
  367    HD3  ARG  51           HD1      ARG  51   1.414  -1.734 -10.207
  368    HE   ARG  51           HE       ARG  51   0.657  -4.171  -9.313
  369   HH11  ARG  51          HH11      ARG  51  -0.416  -2.238 -12.105
  370   HH12  ARG  51          HH12      ARG  51  -0.555  -3.592 -13.124
  371   HH21  ARG  51          HH21      ARG  51   0.493  -5.964 -10.745
  372   HH22  ARG  51          HH22      ARG  51  -0.087  -5.744 -12.369
  373    H    LEU  52           HN       LEU  52  -2.675  -0.943  -5.722
  374    HA   LEU  52           HA       LEU  52  -4.369  -3.182  -5.224
  375    HB2  LEU  52           HB2      LEU  52  -3.974  -0.642  -3.650
  376    HB3  LEU  52           HB1      LEU  52  -4.870  -2.051  -3.105
  377    HG   LEU  52           HG       LEU  52  -1.935  -2.068  -3.771
  378   HD11  LEU  52          HD11      LEU  52  -1.609  -2.261  -1.363
  379   HD12  LEU  52          HD12      LEU  52  -3.340  -2.034  -1.102
  380   HD13  LEU  52          HD13      LEU  52  -2.379  -0.730  -1.791
  381   HD21  LEU  52          HD21      LEU  52  -3.018  -4.211  -4.126
  382   HD22  LEU  52          HD22      LEU  52  -3.727  -4.137  -2.519
  383   HD23  LEU  52          HD23      LEU  52  -1.970  -4.266  -2.703
  384    H    GLU  53           HN       GLU  53  -4.909   0.209  -6.013
  385    HA   GLU  53           HA       GLU  53  -7.718   0.218  -5.723
  386    HB2  GLU  53           HB2      GLU  53  -6.042   1.817  -7.667
  387    HB3  GLU  53           HB1      GLU  53  -7.716   2.134  -7.264
  388    HG2  GLU  53           HG2      GLU  53  -6.988   2.603  -4.928
  389    HG3  GLU  53           HG1      GLU  53  -5.316   2.396  -5.465
  390    H    SER  54           HN       SER  54  -5.669  -0.640  -8.477
  391    HA   SER  54           HA       SER  54  -7.925  -0.958 -10.181
  392    HB2  SER  54           HB2      SER  54  -6.207  -1.959 -11.761
  393    HB3  SER  54           HB1      SER  54  -5.951  -0.285 -11.271
  394    HG   SER  54           HG       SER  54  -4.295  -0.899  -9.993
  395    H    ARG  55           HN       ARG  55  -5.848  -3.201  -8.433
  396    HA   ARG  55           HA       ARG  55  -6.989  -5.545  -9.516
  397    HB2  ARG  55           HB2      ARG  55  -4.809  -5.636  -8.527
  398    HB3  ARG  55           HB1      ARG  55  -5.399  -5.098  -6.970
  399    HG2  ARG  55           HG2      ARG  55  -6.567  -7.180  -6.642
  400    HG3  ARG  55           HG1      ARG  55  -6.141  -7.717  -8.267
  401    HD2  ARG  55           HD2      ARG  55  -3.793  -7.774  -7.700
  402    HD3  ARG  55           HD1      ARG  55  -4.117  -7.013  -6.144
  403    HE   ARG  55           HE       ARG  55  -5.039  -9.007  -5.340
  404   HH11  ARG  55          HH11      ARG  55  -3.806  -9.492  -8.657
  405   HH12  ARG  55          HH12      ARG  55  -3.547 -11.157  -8.469
  406   HH21  ARG  55          HH21      ARG  55  -4.596 -11.307  -5.060
  407   HH22  ARG  55          HH22      ARG  55  -4.010 -12.212  -6.363
  408    H    TYR  56           HN       TYR  56  -7.948  -3.610  -6.704
  409    HA   TYR  56           HA       TYR  56 -10.084  -5.558  -6.386
  410    HB2  TYR  56           HB2      TYR  56  -8.927  -3.732  -4.268
  411    HB3  TYR  56           HB1      TYR  56 -10.338  -4.756  -4.015
  412    HD1  TYR  56           HD1      TYR  56  -9.969  -7.317  -4.766
  413    HD2  TYR  56           HD2      TYR  56  -6.889  -4.610  -3.676
  414    HE1  TYR  56           HE1      TYR  56  -8.543  -9.217  -4.086
  415    HE2  TYR  56           HE2      TYR  56  -5.454  -6.474  -3.009
  416    HH   TYR  56           HH       TYR  56  -5.952  -9.727  -3.645
  417    H    GLY  57           HN       GLY  57  -9.681  -2.653  -7.725
  418    HA2  GLY  57           HA2      GLY  57 -11.243  -1.299  -8.739
  419    HA3  GLY  57           HA1      GLY  57 -12.508  -2.340  -8.088
  420    H    VAL  58           HN       VAL  58 -10.036  -0.143  -6.715
  421    HA   VAL  58           HA       VAL  58 -12.265   1.174  -5.349
  422    HB   VAL  58           HB       VAL  58 -11.218   1.350  -3.307
  423   HG11  VAL  58          HG11      VAL  58 -10.635  -0.878  -2.568
  424   HG12  VAL  58          HG12      VAL  58 -10.321  -1.298  -4.257
  425   HG13  VAL  58          HG13      VAL  58 -11.972  -0.922  -3.742
  426   HG21  VAL  58          HG21      VAL  58  -8.556   0.449  -4.436
  427   HG22  VAL  58          HG22      VAL  58  -8.919   0.816  -2.738
  428   HG23  VAL  58          HG23      VAL  58  -9.002   2.092  -3.957
  429    H    SER  59           HN       SER  59 -11.331   3.378  -4.270
  430    HA   SER  59           HA       SER  59  -9.345   4.612  -5.914
  431    HB2  SER  59           HB2      SER  59 -10.966   6.607  -6.256
  432    HB3  SER  59           HB1      SER  59 -11.221   5.191  -7.283
  433    HG   SER  59           HG       SER  59 -13.142   6.135  -6.237
  434    H    ILE  60           HN       ILE  60  -8.072   5.677  -4.588
  435    HA   ILE  60           HA       ILE  60  -9.117   6.394  -1.941
  436    HB   ILE  60           HB       ILE  60  -6.246   5.957  -2.808
  437   HG12  ILE  60          HG12      ILE  60  -8.086   4.170  -1.162
  438   HG13  ILE  60          HG11      ILE  60  -7.509   3.865  -2.789
  439   HG21  ILE  60          HG21      ILE  60  -6.402   7.563  -0.972
  440   HG22  ILE  60          HG22      ILE  60  -5.670   6.040  -0.455
  441   HG23  ILE  60          HG23      ILE  60  -7.351   6.410  -0.028
  442   HD11  ILE  60          HD11      ILE  60  -6.269   2.550  -1.159
  443   HD12  ILE  60          HD12      ILE  60  -5.792   4.035  -0.333
  444   HD13  ILE  60          HD13      ILE  60  -5.220   3.730  -1.971
  445    HA   PRO  61           HA       PRO  61  -8.776  10.668  -3.262
  446    HB2  PRO  61           HB2      PRO  61  -9.397  11.348  -0.477
  447    HB3  PRO  61           HB1      PRO  61 -10.367  11.627  -1.930
  448    HG2  PRO  61           HG2      PRO  61 -11.084   9.826  -0.066
  449    HG3  PRO  61           HG1      PRO  61 -11.423   9.593  -1.795
  450    HD2  PRO  61           HD2      PRO  61  -9.212   8.437  -0.115
  451    HD3  PRO  61           HD1      PRO  61 -10.233   7.612  -1.311
  452    H    ASP  62           HN       ASP  62  -7.339  12.393  -3.037
  453    HA   ASP  62           HA       ASP  62  -4.719  11.711  -2.173
  454    HB2  ASP  62           HB2      ASP  62  -4.063  13.854  -3.011
  455    HB3  ASP  62           HB1      ASP  62  -5.354  13.294  -4.086
  456    H    ASP  63           HN       ASP  63  -7.300  13.473  -0.746
  457    HA   ASP  63           HA       ASP  63  -5.888  14.870   1.284
  458    HB2  ASP  63           HB2      ASP  63  -8.323  15.161   0.536
  459    HB3  ASP  63           HB1      ASP  63  -8.704  13.790   1.547
  460    H    VAL  64           HN       VAL  64  -7.356  11.704   1.107
  461    HA   VAL  64           HA       VAL  64  -6.795  11.030   3.868
  462    HB   VAL  64           HB       VAL  64  -7.767   9.179   1.654
  463   HG11  VAL  64          HG11      VAL  64  -8.673   7.854   3.437
  464   HG12  VAL  64          HG12      VAL  64  -8.004   8.975   4.638
  465   HG13  VAL  64          HG13      VAL  64  -6.923   8.033   3.612
  466   HG21  VAL  64          HG21      VAL  64  -9.290  11.064   1.834
  467   HG22  VAL  64          HG22      VAL  64  -9.414  10.823   3.582
  468   HG23  VAL  64          HG23      VAL  64 -10.034   9.599   2.477
  469    H    ALA  65           HN       ALA  65  -5.294  10.706   0.835
  470    HA   ALA  65           HA       ALA  65  -3.588   8.519   1.225
  471    HB1  ALA  65           HB1      ALA  65  -4.049   9.554  -0.941
  472    HB2  ALA  65           HB2      ALA  65  -2.315   9.423  -0.616
  473    HB3  ALA  65           HB3      ALA  65  -3.143  10.981  -0.441
  474    H    GLY  66           HN       GLY  66  -3.234  11.907   2.130
  475    HA2  GLY  66           HA2      GLY  66  -0.482  11.442   2.989
  476    HA3  GLY  66           HA1      GLY  66  -1.343  12.985   2.984
  477    H    ARG  67           HN       ARG  67  -3.173  10.461   4.334
  478    HA   ARG  67           HA       ARG  67  -2.729  11.593   6.971
  479    HB2  ARG  67           HB2      ARG  67  -4.971  11.599   5.733
  480    HB3  ARG  67           HB1      ARG  67  -5.023   9.876   6.037
  481    HG2  ARG  67           HG2      ARG  67  -5.032  10.256   8.409
  482    HG3  ARG  67           HG1      ARG  67  -4.813  11.994   8.108
  483    HD2  ARG  67           HD2      ARG  67  -7.187  10.355   7.214
  484    HD3  ARG  67           HD1      ARG  67  -7.184  11.395   8.640
  485    HE   ARG  67           HE       ARG  67  -6.404  12.866   6.345
  486   HH11  ARG  67          HH11      ARG  67  -9.359  11.648   8.011
  487   HH12  ARG  67          HH12      ARG  67 -10.388  12.673   7.133
  488   HH21  ARG  67          HH21      ARG  67  -7.950  14.243   5.096
  489   HH22  ARG  67          HH22      ARG  67  -9.582  14.123   5.430
  490    H    VAL  68           HN       VAL  68  -1.414   9.148   5.311
  491    HA   VAL  68           HA       VAL  68  -1.539   7.219   7.521
  492    HB   VAL  68           HB       VAL  68  -0.741   5.496   5.948
  493   HG11  VAL  68          HG11      VAL  68  -2.709   5.309   4.532
  494   HG12  VAL  68          HG12      VAL  68  -3.139   6.987   4.903
  495   HG13  VAL  68          HG13      VAL  68  -3.121   5.764   6.187
  496   HG21  VAL  68          HG21      VAL  68  -0.579   5.972   3.523
  497   HG22  VAL  68          HG22      VAL  68   0.589   6.892   4.454
  498   HG23  VAL  68          HG23      VAL  68  -0.863   7.673   3.852
  499    H    ASP  69           HN       ASP  69   0.512   6.042   7.976
  500    HA   ASP  69           HA       ASP  69   2.960   7.498   7.215
  501    HB2  ASP  69           HB2      ASP  69   2.260   8.422   9.381
  502    HB3  ASP  69           HB1      ASP  69   2.144   6.802  10.052
  503    H    THR  70           HN       THR  70   1.405   4.614   8.434
  504    HA   THR  70           HA       THR  70   3.796   3.035   7.763
  505    HB   THR  70           HB       THR  70   3.017   1.407   9.492
  506    HG1  THR  70           HG1      THR  70   1.077   3.427   9.860
  507   HG21  THR  70          HG21      THR  70   4.739   3.050  10.041
  508   HG22  THR  70          HG22      THR  70   3.710   2.743  11.442
  509   HG23  THR  70          HG23      THR  70   3.497   4.214  10.480
  510    HA   PRO  71           HA       PRO  71   1.436   0.601   4.800
  511    HB2  PRO  71           HB2      PRO  71   2.664  -1.673   6.314
  512    HB3  PRO  71           HB1      PRO  71   2.590  -1.402   4.542
  513    HG2  PRO  71           HG2      PRO  71   4.825  -0.924   5.784
  514    HG3  PRO  71           HG1      PRO  71   4.220   0.283   4.653
  515    HD2  PRO  71           HD2      PRO  71   4.107   0.254   7.642
  516    HD3  PRO  71           HD1      PRO  71   4.495   1.600   6.545
  517    H    ARG  72           HN       ARG  72   1.248  -0.197   8.190
  518    HA   ARG  72           HA       ARG  72  -0.857  -2.077   8.217
  519    HB2  ARG  72           HB2      ARG  72   0.465  -1.733  10.166
  520    HB3  ARG  72           HB1      ARG  72   0.111  -0.016  10.197
  521    HG2  ARG  72           HG2      ARG  72  -2.192  -0.513  10.835
  522    HG3  ARG  72           HG1      ARG  72  -1.866  -2.245  10.748
  523    HD2  ARG  72           HD2      ARG  72  -1.754  -1.296  13.056
  524    HD3  ARG  72           HD1      ARG  72  -0.295  -2.125  12.545
  525    HE   ARG  72           HE       ARG  72  -0.450   0.794  12.281
  526   HH11  ARG  72          HH11      ARG  72   0.920  -1.972  14.057
  527   HH12  ARG  72          HH12      ARG  72   2.389  -1.234  14.426
  528   HH21  ARG  72          HH21      ARG  72   1.469   1.912  12.904
  529   HH22  ARG  72          HH22      ARG  72   2.702   1.150  13.789
  530    H    GLU  73           HN       GLU  73  -0.892   1.430   8.342
  531    HA   GLU  73           HA       GLU  73  -3.668   1.765   8.729
  532    HB2  GLU  73           HB2      GLU  73  -1.494   3.570   7.708
  533    HB3  GLU  73           HB1      GLU  73  -3.083   4.140   8.227
  534    HG2  GLU  73           HG2      GLU  73  -2.695   3.540  10.452
  535    HG3  GLU  73           HG1      GLU  73  -1.335   2.508  10.029
  536    H    LEU  74           HN       LEU  74  -1.697   1.240   5.970
  537    HA   LEU  74           HA       LEU  74  -3.502   2.301   4.005
  538    HB2  LEU  74           HB2      LEU  74  -0.860   1.725   3.957
  539    HB3  LEU  74           HB1      LEU  74  -1.469   0.215   3.350
  540    HG   LEU  74           HG       LEU  74  -1.913   2.886   2.020
  541   HD11  LEU  74          HD11      LEU  74  -0.342   2.077   0.341
  542   HD12  LEU  74          HD12      LEU  74  -0.076   0.614   1.289
  543   HD13  LEU  74          HD13      LEU  74   0.416   2.184   1.939
  544   HD21  LEU  74          HD21      LEU  74  -2.517   0.099   1.039
  545   HD22  LEU  74          HD22      LEU  74  -2.691   1.583   0.104
  546   HD23  LEU  74          HD23      LEU  74  -3.711   1.303   1.521
  547    H    LEU  75           HN       LEU  75  -2.847  -0.805   5.518
  548    HA   LEU  75           HA       LEU  75  -4.402  -2.424   3.761
  549    HB2  LEU  75           HB2      LEU  75  -2.608  -3.261   5.359
  550    HB3  LEU  75           HB1      LEU  75  -3.734  -2.978   6.665
  551    HG   LEU  75           HG       LEU  75  -5.294  -4.646   5.530
  552   HD11  LEU  75          HD11      LEU  75  -4.330  -6.203   3.965
  553   HD12  LEU  75          HD12      LEU  75  -2.844  -5.254   3.912
  554   HD13  LEU  75          HD13      LEU  75  -4.359  -4.567   3.310
  555   HD21  LEU  75          HD21      LEU  75  -2.587  -5.643   6.435
  556   HD22  LEU  75          HD22      LEU  75  -4.072  -6.590   6.379
  557   HD23  LEU  75          HD23      LEU  75  -3.933  -5.212   7.484
  558    H    ASP  76           HN       ASP  76  -5.023  -1.272   7.094
  559    HA   ASP  76           HA       ASP  76  -7.676  -2.016   7.339
  560    HB2  ASP  76           HB2      ASP  76  -6.191   0.303   8.584
  561    HB3  ASP  76           HB1      ASP  76  -7.892   0.030   8.919
  562    H    LEU  77           HN       LEU  77  -6.363   0.916   5.923
  563    HA   LEU  77           HA       LEU  77  -8.704   2.360   5.520
  564    HB2  LEU  77           HB2      LEU  77  -6.503   3.322   5.233
  565    HB3  LEU  77           HB1      LEU  77  -6.208   2.306   3.845
  566    HG   LEU  77           HG       LEU  77  -8.021   3.452   2.635
  567   HD11  LEU  77          HD11      LEU  77  -9.323   4.147   4.504
  568   HD12  LEU  77          HD12      LEU  77  -8.880   5.557   3.529
  569   HD13  LEU  77          HD13      LEU  77  -8.044   5.222   5.057
  570   HD21  LEU  77          HD21      LEU  77  -5.705   4.110   2.353
  571   HD22  LEU  77          HD22      LEU  77  -5.834   5.227   3.713
  572   HD23  LEU  77          HD23      LEU  77  -6.770   5.510   2.242
  573    H    ILE  78           HN       ILE  78  -7.178   0.031   3.327
  574    HA   ILE  78           HA       ILE  78  -9.179   0.486   1.318
  575    HB   ILE  78           HB       ILE  78  -7.059  -1.683   1.483
  576   HG12  ILE  78          HG12      ILE  78  -7.253   0.869  -0.148
  577   HG13  ILE  78          HG11      ILE  78  -6.174   0.578   1.210
  578   HG21  ILE  78          HG21      ILE  78  -7.555  -2.145  -0.895
  579   HG22  ILE  78          HG22      ILE  78  -8.948  -1.053  -0.798
  580   HG23  ILE  78          HG23      ILE  78  -8.898  -2.532   0.173
  581   HD11  ILE  78          HD11      ILE  78  -6.106  -0.894  -1.410
  582   HD12  ILE  78          HD12      ILE  78  -4.984  -1.108  -0.063
  583   HD13  ILE  78          HD13      ILE  78  -5.034   0.423  -0.934
  584    H    ASN  79           HN       ASN  79  -8.609  -1.934   3.780
  585    HA   ASN  79           HA       ASN  79 -10.643  -3.736   3.041
  586    HB2  ASN  79           HB2      ASN  79  -9.609  -3.091   5.815
  587    HB3  ASN  79           HB1      ASN  79 -10.642  -4.457   5.439
  588   HD21  ASN  79          HD21      ASN  79  -9.134  -4.948   2.899
  589   HD22  ASN  79          HD22      ASN  79  -7.643  -5.668   3.398
  590    H    GLY  80           HN       GLY  80 -10.651  -0.902   5.142
  591    HA2  GLY  80           HA2      GLY  80 -13.370  -1.060   5.883
  592    HA3  GLY  80           HA1      GLY  80 -12.324   0.337   6.037
  593    H    ALA  81           HN       ALA  81 -11.708   0.629   3.200
  594    HA   ALA  81           HA       ALA  81 -14.006   2.100   2.466
  595    HB1  ALA  81           HB1      ALA  81 -12.765   2.681   0.468
  596    HB2  ALA  81           HB2      ALA  81 -11.543   1.448   0.855
  597    HB3  ALA  81           HB3      ALA  81 -11.758   2.849   1.895
  598    H    LEU  82           HN       LEU  82 -12.688  -1.003   1.488
  599    HA   LEU  82           HA       LEU  82 -14.431  -1.603  -0.621
  600    HB2  LEU  82           HB2      LEU  82 -13.098  -3.366   1.429
  601    HB3  LEU  82           HB1      LEU  82 -14.090  -4.019   0.143
  602    HG   LEU  82           HG       LEU  82 -11.662  -2.306  -0.388
  603   HD11  LEU  82          HD11      LEU  82 -10.487  -4.395  -0.875
  604   HD12  LEU  82          HD12      LEU  82 -11.871  -5.332  -0.300
  605   HD13  LEU  82          HD13      LEU  82 -10.961  -4.308   0.819
  606   HD21  LEU  82          HD21      LEU  82 -11.852  -3.293  -2.611
  607   HD22  LEU  82          HD22      LEU  82 -13.343  -2.448  -2.156
  608   HD23  LEU  82          HD23      LEU  82 -13.276  -4.200  -2.090
  609    H    ALA  83           HN       ALA  83 -14.869  -1.895   2.856
  610    HA   ALA  83           HA       ALA  83 -17.401  -3.198   2.694
  611    HB1  ALA  83           HB1      ALA  83 -15.921  -3.436   4.639
  612    HB2  ALA  83           HB2      ALA  83 -17.522  -2.847   5.086
  613    HB3  ALA  83           HB3      ALA  83 -16.158  -1.727   5.016
  614    H    GLU  84           HN       GLU  84 -16.452   0.035   2.268
  615    HA   GLU  84           HA       GLU  84 -19.074   1.103   2.978
  616    HB2  GLU  84           HB2      GLU  84 -16.917   2.233   3.650
  617    HB3  GLU  84           HB1      GLU  84 -16.627   2.548   1.948
  618    HG2  GLU  84           HG2      GLU  84 -18.629   3.944   1.856
  619    HG3  GLU  84           HG1      GLU  84 -18.973   3.570   3.539
  620    H    ALA  85           HN       ALA  85 -17.609  -0.338   0.447
  621    HA   ALA  85           HA       ALA  85 -19.151   1.118  -1.580
  622    HB1  ALA  85           HB1      ALA  85 -16.911  -0.877  -1.946
  623    HB2  ALA  85           HB2      ALA  85 -16.751   0.875  -2.077
  624    HB3  ALA  85           HB3      ALA  85 -17.747  -0.016  -3.240
  625    H    ALA  86           HN       ALA  86 -18.153  -2.194  -0.825
  626    HA   ALA  86           HA       ALA  86 -19.063  -4.194  -1.004
  627    HB1  ALA  86           HB1      ALA  86 -21.286  -4.527  -0.093
  628    HB2  ALA  86           HB2      ALA  86 -21.653  -2.818  -0.279
  629    HB3  ALA  86           HB3      ALA  86 -20.412  -3.327   0.869
  630   H28A  SXR 101          H28A      SXR  42   6.539  11.501  -6.852
  631   H28B  SXR 101          H28B      SXR  42   5.144  10.812  -6.001
  632   H30A  SXR 101          H30A      SXR  42   3.690  10.458  -7.882
  633   H30B  SXR 101          H30B      SXR  42   5.210  10.744  -8.736
  634   H30C  SXR 101          H30C      SXR  42   3.751  11.615  -9.204
  635   H31A  SXR 101          H31A      SXR  42   2.510  12.727  -7.409
  636   H31B  SXR 101          H31B      SXR  42   3.452  13.811  -6.377
  637   H31C  SXR 101          H31C      SXR  42   3.128  12.164  -5.862
  638   H32A  SXR 101          H32A      SXR  42   6.225  13.244  -8.646
  639   H33A  SXR 101          H33A      SXR  42   4.843  15.247  -7.553
  640   H36A  SXR 101          H36A      SXR  42   4.998  12.817 -10.596
  641   H37A  SXR 101          H37A      SXR  42   2.899  14.811 -11.236
  642   H37B  SXR 101          H37B      SXR  42   4.149  14.327 -12.369
  643   H38A  SXR 101          H38A      SXR  42   2.079  13.219 -12.935
  644   H38B  SXR 101          H38B      SXR  42   3.225  12.019 -12.356
  645   H41A  SXR 101          H41A      SXR  42   1.974  13.876  -9.790
  646   H42A  SXR 101          H42A      SXR  42  -0.358  12.229  -9.315
  647   H42B  SXR 101          H42B      SXR  42   0.973  12.143  -8.147
  648   H43A  SXR 101          H43A      SXR  42  -0.427  14.700  -8.966
  649   H43B  SXR 101          H43B      SXR  42   0.651  14.495  -7.557
  650   H11A  SXR 101          H11A      SXR  42  -3.210   7.163  -3.544
  651   H10A  SXR 101          H10A      SXR  42  -4.108   5.846  -1.662
  652    H9A  SXR 101           H9A      SXR  42  -2.795   5.570   0.434
  653    H8A  SXR 101           H8A      SXR  42  -0.564   6.621   0.623
  654    H7A  SXR 101           H7A      SXR  42   0.333   7.928  -1.268
  655    H5A  SXR 101           H5A      SXR  42   0.252   8.633  -3.854
  656    H5B  SXR 101           H5B      SXR  42  -0.713   7.516  -4.243
  657    H4A  SXR 101           H4A      SXR  42  -2.447   9.171  -5.085
  658    H4B  SXR 101           H4B      SXR  42  -2.536   9.081  -3.577
  659    H2A  SXR 101           H2A      SXR  42  -2.873  11.906  -5.583
  660    H2B  SXR 101           H2B      SXR  42  -2.205  12.517  -4.386
  661    H1A  SXR 101           H1A      SXR  42   0.261  12.534  -5.912
  662    H1B  SXR 101           H1B      SXR  42  -0.683  11.537  -6.574
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1 -19.131 -14.260   0.285
    2    H2   MET   1           HT2      MET   1 -17.578 -14.785   0.711
    3    H3   MET   1           HT3      MET   1 -18.261 -15.337  -0.726
    4    HA   MET   1           HA       MET   1 -16.646 -13.809  -1.233
    5    HB2  MET   1           HB2      MET   1 -18.706 -13.627  -2.559
    6    HB3  MET   1           HB1      MET   1 -19.337 -12.446  -1.414
    7    HG2  MET   1           HG2      MET   1 -17.417 -10.959  -1.974
    8    HG3  MET   1           HG1      MET   1 -16.948 -12.113  -3.229
    9    HE1  MET   1           HE1      MET   1 -20.565 -10.942  -2.094
   10    HE2  MET   1           HE2      MET   1 -20.818  -9.604  -3.202
   11    HE3  MET   1           HE3      MET   1 -19.536  -9.497  -2.003
   12    H    ALA   2           HN       ALA   2 -15.240 -12.740  -0.077
   13    HA   ALA   2           HA       ALA   2 -15.832 -10.174   0.931
   14    HB1  ALA   2           HB1      ALA   2 -14.901 -10.608   3.199
   15    HB2  ALA   2           HB2      ALA   2 -14.884 -12.343   2.847
   16    HB3  ALA   2           HB3      ALA   2 -16.421 -11.475   2.939
   17    H    THR   3           HN       THR   3 -14.401  -9.602  -0.649
   18    HA   THR   3           HA       THR   3 -11.951 -11.025  -0.981
   19    HB   THR   3           HB       THR   3 -12.692  -8.521  -2.431
   20    HG1  THR   3           HG1      THR   3 -14.321  -9.467  -3.392
   21   HG21  THR   3          HG21      THR   3 -11.461 -11.159  -3.263
   22   HG22  THR   3          HG22      THR   3 -10.560  -9.681  -2.921
   23   HG23  THR   3          HG23      THR   3 -11.669  -9.755  -4.309
   24    H    LEU   4           HN       LEU   4 -11.206 -10.400   1.222
   25    HA   LEU   4           HA       LEU   4 -10.121  -7.698   1.377
   26    HB2  LEU   4           HB2      LEU   4  -9.982  -9.970   3.388
   27    HB3  LEU   4           HB1      LEU   4  -9.188  -8.436   3.598
   28    HG   LEU   4           HG       LEU   4 -11.088  -8.390   4.962
   29   HD11  LEU   4          HD11      LEU   4 -12.455  -6.584   4.079
   30   HD12  LEU   4          HD12      LEU   4 -11.742  -6.847   2.487
   31   HD13  LEU   4          HD13      LEU   4 -10.719  -6.327   3.843
   32   HD21  LEU   4          HD21      LEU   4 -13.385  -8.804   4.177
   33   HD22  LEU   4          HD22      LEU   4 -12.370 -10.233   4.018
   34   HD23  LEU   4          HD23      LEU   4 -12.755  -9.257   2.605
   35    H    LEU   5           HN       LEU   5  -8.158  -7.222   0.747
   36    HA   LEU   5           HA       LEU   5  -6.399  -9.309  -0.109
   37    HB2  LEU   5           HB2      LEU   5  -4.728  -7.570  -0.588
   38    HB3  LEU   5           HB1      LEU   5  -6.258  -7.288  -1.383
   39    HG   LEU   5           HG       LEU   5  -5.898  -5.847   1.170
   40   HD11  LEU   5          HD11      LEU   5  -4.342  -5.148  -1.325
   41   HD12  LEU   5          HD12      LEU   5  -3.661  -5.699   0.201
   42   HD13  LEU   5          HD13      LEU   5  -4.484  -4.146   0.115
   43   HD21  LEU   5          HD21      LEU   5  -7.855  -5.527  -0.290
   44   HD22  LEU   5          HD22      LEU   5  -6.788  -5.044  -1.594
   45   HD23  LEU   5          HD23      LEU   5  -6.899  -4.058  -0.137
   46    H    THR   6           HN       THR   6  -4.493  -9.959   0.806
   47    HA   THR   6           HA       THR   6  -4.555  -9.721   3.665
   48    HB   THR   6           HB       THR   6  -2.769 -11.453   3.612
   49    HG1  THR   6           HG1      THR   6  -3.124 -11.271   0.777
   50   HG21  THR   6          HG21      THR   6  -5.150 -12.122   3.641
   51   HG22  THR   6          HG22      THR   6  -4.173 -13.263   2.712
   52   HG23  THR   6          HG23      THR   6  -5.166 -12.078   1.876
   53    H    THR   7           HN       THR   7  -2.167  -9.751   4.665
   54    HA   THR   7           HA       THR   7  -0.937  -7.301   4.216
   55    HB   THR   7           HB       THR   7   0.298  -9.755   5.471
   56    HG1  THR   7           HG1      THR   7  -1.318  -8.040   6.971
   57   HG21  THR   7          HG21      THR   7   1.645  -7.708   5.336
   58   HG22  THR   7          HG22      THR   7   1.217  -8.047   7.010
   59   HG23  THR   7          HG23      THR   7   0.335  -6.812   6.087
   60    H    ASP   8           HN       ASP   8  -0.459 -10.558   2.941
   61    HA   ASP   8           HA       ASP   8   2.081  -9.986   1.809
   62    HB2  ASP   8           HB2      ASP   8   0.235 -12.342   1.545
   63    HB3  ASP   8           HB1      ASP   8   1.601 -12.150   0.462
   64    H    ASP   9           HN       ASP   9  -1.151  -9.615   0.831
   65    HA   ASP   9           HA       ASP   9  -0.568  -9.285  -1.948
   66    HB2  ASP   9           HB2      ASP   9  -2.956  -8.397  -0.317
   67    HB3  ASP   9           HB1      ASP   9  -2.784  -8.085  -2.046
   68    H    LEU  10           HN       LEU  10  -0.958  -7.102   0.744
   69    HA   LEU  10           HA       LEU  10  -0.384  -4.709  -0.589
   70    HB2  LEU  10           HB2      LEU  10  -1.255  -4.829   1.703
   71    HB3  LEU  10           HB1      LEU  10   0.246  -5.558   2.233
   72    HG   LEU  10           HG       LEU  10   1.442  -3.438   1.654
   73   HD11  LEU  10          HD11      LEU  10  -1.341  -2.354   1.220
   74   HD12  LEU  10          HD12      LEU  10  -0.100  -2.577  -0.016
   75   HD13  LEU  10          HD13      LEU  10   0.141  -1.403   1.280
   76   HD21  LEU  10          HD21      LEU  10   0.735  -3.902   3.918
   77   HD22  LEU  10          HD22      LEU  10  -0.841  -3.174   3.609
   78   HD23  LEU  10          HD23      LEU  10   0.611  -2.179   3.566
   79    H    ARG  11           HN       ARG  11   1.675  -7.012   1.121
   80    HA   ARG  11           HA       ARG  11   4.182  -5.929   0.744
   81    HB2  ARG  11           HB2      ARG  11   3.842  -7.829   2.217
   82    HB3  ARG  11           HB1      ARG  11   3.299  -8.830   0.876
   83    HG2  ARG  11           HG2      ARG  11   5.569  -8.863  -0.024
   84    HG3  ARG  11           HG1      ARG  11   6.106  -7.807   1.298
   85    HD2  ARG  11           HD2      ARG  11   4.820 -10.508   1.791
   86    HD3  ARG  11           HD1      ARG  11   6.549 -10.319   1.538
   87    HE   ARG  11           HE       ARG  11   6.395  -8.719   3.498
   88   HH11  ARG  11          HH11      ARG  11   4.259 -11.628   3.313
   89   HH12  ARG  11          HH12      ARG  11   4.276 -11.888   4.970
   90   HH21  ARG  11          HH21      ARG  11   6.421  -9.164   5.748
   91   HH22  ARG  11          HH22      ARG  11   5.572 -10.446   6.468
   92    H    ARG  12           HN       ARG  12   2.513  -8.273  -1.382
   93    HA   ARG  12           HA       ARG  12   4.513  -8.331  -3.335
   94    HB2  ARG  12           HB2      ARG  12   1.590  -9.079  -3.489
   95    HB3  ARG  12           HB1      ARG  12   2.678  -9.239  -4.855
   96    HG2  ARG  12           HG2      ARG  12   4.088 -10.736  -3.527
   97    HG3  ARG  12           HG1      ARG  12   2.949 -10.600  -2.180
   98    HD2  ARG  12           HD2      ARG  12   2.249 -11.660  -4.932
   99    HD3  ARG  12           HD1      ARG  12   2.648 -12.678  -3.561
  100    HE   ARG  12           HE       ARG  12   0.458 -10.849  -3.104
  101   HH11  ARG  12          HH11      ARG  12   1.374 -14.047  -4.338
  102   HH12  ARG  12          HH12      ARG  12  -0.099 -14.782  -4.010
  103   HH21  ARG  12          HH21      ARG  12  -1.774 -11.882  -2.824
  104   HH22  ARG  12          HH22      ARG  12  -1.908 -13.526  -3.203
  105    H    ALA  13           HN       ALA  13   1.592  -6.347  -3.174
  106    HA   ALA  13           HA       ALA  13   1.891  -5.175  -5.711
  107    HB1  ALA  13           HB1      ALA  13   0.570  -4.010  -3.281
  108    HB2  ALA  13           HB2      ALA  13  -0.201  -5.095  -4.431
  109    HB3  ALA  13           HB3      ALA  13   0.314  -3.490  -4.941
  110    H    LEU  14           HN       LEU  14   3.096  -4.255  -2.550
  111    HA   LEU  14           HA       LEU  14   4.173  -1.759  -3.274
  112    HB2  LEU  14           HB2      LEU  14   3.716  -2.700  -0.954
  113    HB3  LEU  14           HB1      LEU  14   5.186  -3.622  -1.115
  114    HG   LEU  14           HG       LEU  14   6.491  -1.521  -1.226
  115   HD11  LEU  14          HD11      LEU  14   4.761  -0.028  -2.164
  116   HD12  LEU  14          HD12      LEU  14   5.394   0.602  -0.653
  117   HD13  LEU  14          HD13      LEU  14   3.828  -0.189  -0.674
  118   HD21  LEU  14          HD21      LEU  14   6.198  -0.895   1.115
  119   HD22  LEU  14          HD22      LEU  14   6.117  -2.648   0.915
  120   HD23  LEU  14          HD23      LEU  14   4.637  -1.712   1.132
  121    H    VAL  15           HN       VAL  15   5.379  -5.039  -3.369
  122    HA   VAL  15           HA       VAL  15   8.013  -4.419  -4.247
  123    HB   VAL  15           HB       VAL  15   6.425  -7.012  -4.427
  124   HG11  VAL  15          HG11      VAL  15   8.561  -8.147  -4.898
  125   HG12  VAL  15          HG12      VAL  15   9.385  -6.578  -4.982
  126   HG13  VAL  15          HG13      VAL  15   8.165  -6.999  -6.182
  127   HG21  VAL  15          HG21      VAL  15   8.652  -6.124  -2.603
  128   HG22  VAL  15          HG22      VAL  15   7.852  -7.711  -2.580
  129   HG23  VAL  15          HG23      VAL  15   6.939  -6.259  -2.179
  130    H    GLU  16           HN       GLU  16   5.019  -5.388  -6.016
  131    HA   GLU  16           HA       GLU  16   6.086  -5.424  -8.604
  132    HB2  GLU  16           HB2      GLU  16   3.314  -4.559  -7.783
  133    HB3  GLU  16           HB1      GLU  16   3.797  -4.928  -9.419
  134    HG2  GLU  16           HG2      GLU  16   4.270  -7.257  -8.723
  135    HG3  GLU  16           HG1      GLU  16   3.687  -6.851  -7.115
  136    H    SER  17           HN       SER  17   5.242  -2.734  -6.619
  137    HA   SER  17           HA       SER  17   5.237  -0.794  -8.710
  138    HB2  SER  17           HB2      SER  17   5.580  -0.390  -5.738
  139    HB3  SER  17           HB1      SER  17   5.085   0.823  -6.917
  140    HG   SER  17           HG       SER  17   3.657  -1.563  -6.239
  141    H    ALA  18           HN       ALA  18   7.683  -2.311  -6.781
  142    HA   ALA  18           HA       ALA  18   9.659  -0.274  -7.270
  143    HB1  ALA  18           HB1      ALA  18  11.209  -1.815  -6.128
  144    HB2  ALA  18           HB2      ALA  18   9.951  -3.050  -6.096
  145    HB3  ALA  18           HB3      ALA  18   9.736  -1.551  -5.189
  146    H    GLY  19           HN       GLY  19   8.763  -3.425  -8.505
  147    HA2  GLY  19           HA2      GLY  19   9.046  -3.336 -11.038
  148    HA3  GLY  19           HA1      GLY  19  10.745  -3.123 -10.646
  149    H    GLU  20           HN       GLU  20  11.185  -5.005 -11.800
  150    HA   GLU  20           HA       GLU  20  10.403  -7.525 -10.498
  151    HB2  GLU  20           HB2      GLU  20   9.900  -7.418 -12.921
  152    HB3  GLU  20           HB1      GLU  20  11.570  -6.979 -13.249
  153    HG2  GLU  20           HG2      GLU  20  11.294  -9.250 -13.832
  154    HG3  GLU  20           HG1      GLU  20  12.232  -9.196 -12.343
  155    H    THR  21           HN       THR  21  11.890  -7.143  -8.799
  156    HA   THR  21           HA       THR  21  14.623  -7.693  -9.598
  157    HB   THR  21           HB       THR  21  15.413  -6.198  -7.710
  158    HG1  THR  21           HG1      THR  21  14.073  -4.946  -6.686
  159   HG21  THR  21          HG21      THR  21  13.884  -4.788  -9.899
  160   HG22  THR  21          HG22      THR  21  15.537  -5.397 -10.035
  161   HG23  THR  21          HG23      THR  21  15.164  -4.084  -8.915
  162    H    ASP  22           HN       ASP  22  15.833  -8.076  -7.275
  163    HA   ASP  22           HA       ASP  22  14.558 -10.353  -6.146
  164    HB2  ASP  22           HB2      ASP  22  17.118  -8.900  -5.378
  165    HB3  ASP  22           HB1      ASP  22  16.558 -10.382  -4.615
  166    H    GLY  23           HN       GLY  23  14.849  -6.977  -5.302
  167    HA2  GLY  23           HA2      GLY  23  13.592  -5.776  -3.787
  168    HA3  GLY  23           HA1      GLY  23  12.851  -7.286  -3.266
  169    H    THR  24           HN       THR  24  13.239  -5.977  -1.165
  170    HA   THR  24           HA       THR  24  15.161  -7.381   0.243
  171    HB   THR  24           HB       THR  24  16.762  -5.766  -0.734
  172    HG1  THR  24           HG1      THR  24  16.372  -5.137   2.041
  173   HG21  THR  24          HG21      THR  24  15.254  -3.858  -1.147
  174   HG22  THR  24          HG22      THR  24  16.653  -3.340  -0.188
  175   HG23  THR  24          HG23      THR  24  15.092  -3.609   0.587
  176    H    ASP  25           HN       ASP  25  14.241  -7.627   2.151
  177    HA   ASP  25           HA       ASP  25  13.348  -7.195   4.104
  178    HB2  ASP  25           HB2      ASP  25  13.444  -4.322   3.196
  179    HB3  ASP  25           HB1      ASP  25  12.749  -4.710   4.757
  180    H    LEU  26           HN       LEU  26  11.143  -5.683   4.940
  181    HA   LEU  26           HA       LEU  26   8.926  -5.793   5.048
  182    HB2  LEU  26           HB2      LEU  26   9.045  -6.754   2.156
  183    HB3  LEU  26           HB1      LEU  26   7.555  -6.745   3.053
  184    HG   LEU  26           HG       LEU  26   7.749  -4.259   3.235
  185   HD11  LEU  26          HD11      LEU  26   9.272  -3.053   1.765
  186   HD12  LEU  26          HD12      LEU  26  10.062  -4.567   1.326
  187   HD13  LEU  26          HD13      LEU  26  10.155  -3.968   2.985
  188   HD21  LEU  26          HD21      LEU  26   6.377  -5.304   1.528
  189   HD22  LEU  26          HD22      LEU  26   7.781  -5.418   0.466
  190   HD23  LEU  26          HD23      LEU  26   7.138  -3.836   0.915
  191    H    SER  27           HN       SER  27  11.035  -8.019   5.160
  192    HA   SER  27           HA       SER  27   9.538 -10.461   5.034
  193    HB2  SER  27           HB2      SER  27  12.301  -9.904   6.140
  194    HB3  SER  27           HB1      SER  27  11.646 -11.472   5.643
  195    HG   SER  27           HG       SER  27  11.324 -10.300   3.535
  196    H    GLY  28           HN       GLY  28  11.219  -8.626   7.610
  197    HA2  GLY  28           HA2      GLY  28   9.817 -10.129   9.687
  198    HA3  GLY  28           HA1      GLY  28  11.117  -8.954   9.946
  199    H    ASP  29           HN       ASP  29   7.895  -9.122   8.592
  200    HA   ASP  29           HA       ASP  29   6.090  -7.800   8.561
  201    HB2  ASP  29           HB2      ASP  29   6.498  -7.840  11.167
  202    HB3  ASP  29           HB1      ASP  29   7.136  -6.217  10.943
  203    H    PHE  30           HN       PHE  30   5.795  -5.070   8.998
  204    HA   PHE  30           HA       PHE  30   7.598  -3.298   8.043
  205    HB2  PHE  30           HB2      PHE  30   7.347  -3.040   5.754
  206    HB3  PHE  30           HB1      PHE  30   7.825  -4.696   6.004
  207    HD1  PHE  30           HD1      PHE  30   5.921  -6.463   6.170
  208    HD2  PHE  30           HD2      PHE  30   5.482  -2.680   4.276
  209    HE1  PHE  30           HE1      PHE  30   4.020  -7.343   4.865
  210    HE2  PHE  30           HE2      PHE  30   3.578  -3.535   2.970
  211    HZ   PHE  30           HZ       PHE  30   2.841  -5.884   3.275
  212    H    LEU  31           HN       LEU  31   4.495  -4.234   8.807
  213    HA   LEU  31           HA       LEU  31   2.988  -2.203   7.553
  214    HB2  LEU  31           HB2      LEU  31   2.420  -3.908   9.974
  215    HB3  LEU  31           HB1      LEU  31   1.270  -2.850   9.199
  216    HG   LEU  31           HG       LEU  31   2.527  -5.268   7.942
  217   HD11  LEU  31          HD11      LEU  31   0.939  -5.817   9.702
  218   HD12  LEU  31          HD12      LEU  31   0.260  -6.193   8.116
  219   HD13  LEU  31          HD13      LEU  31  -0.249  -4.732   8.971
  220   HD21  LEU  31          HD21      LEU  31   2.030  -3.516   6.316
  221   HD22  LEU  31          HD22      LEU  31   0.391  -3.384   6.937
  222   HD23  LEU  31          HD23      LEU  31   0.906  -4.866   6.142
  223    H    ASP  32           HN       ASP  32   4.450  -2.656  10.703
  224    HA   ASP  32           HA       ASP  32   3.574   0.026  11.479
  225    HB2  ASP  32           HB2      ASP  32   3.535  -2.228  12.926
  226    HB3  ASP  32           HB1      ASP  32   5.176  -1.741  13.295
  227    H    LEU  33           HN       LEU  33   5.742  -0.822   9.536
  228    HA   LEU  33           HA       LEU  33   8.026   0.674  10.595
  229    HB2  LEU  33           HB2      LEU  33   7.688  -0.845   7.974
  230    HB3  LEU  33           HB1      LEU  33   9.150  -0.037   8.450
  231    HG   LEU  33           HG       LEU  33   7.980  -2.512   9.695
  232   HD11  LEU  33          HD11      LEU  33  10.063  -3.526   8.903
  233   HD12  LEU  33          HD12      LEU  33  10.577  -2.002   8.197
  234   HD13  LEU  33          HD13      LEU  33   9.162  -2.846   7.566
  235   HD21  LEU  33          HD21      LEU  33  10.418  -0.953  10.430
  236   HD22  LEU  33          HD22      LEU  33   9.961  -2.540  11.072
  237   HD23  LEU  33          HD23      LEU  33   8.945  -1.110  11.393
  238    H    ARG  34           HN       ARG  34   8.728   2.540   9.215
  239    HA   ARG  34           HA       ARG  34   6.354   3.795   7.992
  240    HB2  ARG  34           HB2      ARG  34   9.057   5.073   8.438
  241    HB3  ARG  34           HB1      ARG  34   7.561   5.869   7.992
  242    HG2  ARG  34           HG2      ARG  34   6.655   5.265  10.220
  243    HG3  ARG  34           HG1      ARG  34   8.275   4.683  10.661
  244    HD2  ARG  34           HD2      ARG  34   9.083   6.973   9.894
  245    HD3  ARG  34           HD1      ARG  34   7.386   7.454   9.929
  246    HE   ARG  34           HE       ARG  34   8.369   6.248  12.353
  247   HH11  ARG  34          HH11      ARG  34   7.749   9.306  10.610
  248   HH12  ARG  34          HH12      ARG  34   7.942  10.272  11.990
  249   HH21  ARG  34          HH21      ARG  34   8.674   7.615  14.209
  250   HH22  ARG  34          HH22      ARG  34   8.493   9.312  14.078
  251    H    PHE  35           HN       PHE  35   6.543   4.804   5.910
  252    HA   PHE  35           HA       PHE  35   7.912   3.203   4.012
  253    HB2  PHE  35           HB2      PHE  35   6.794   5.998   3.608
  254    HB3  PHE  35           HB1      PHE  35   7.287   4.894   2.335
  255    HD1  PHE  35           HD2      PHE  35   6.080   2.627   2.193
  256    HD2  PHE  35           HD1      PHE  35   4.598   5.974   4.387
  257    HE1  PHE  35           HE2      PHE  35   3.826   1.657   2.170
  258    HE2  PHE  35           HE1      PHE  35   2.365   5.002   4.357
  259    HZ   PHE  35           HZ       PHE  35   1.962   2.870   3.284
  260    H    GLU  36           HN       GLU  36   8.665   6.152   5.642
  261    HA   GLU  36           HA       GLU  36  10.967   7.115   4.422
  262    HB2  GLU  36           HB2      GLU  36  10.463   6.829   7.384
  263    HB3  GLU  36           HB1      GLU  36  11.598   7.941   6.641
  264    HG2  GLU  36           HG2      GLU  36   8.595   8.028   6.322
  265    HG3  GLU  36           HG1      GLU  36   9.542   9.020   7.427
  266    H    ASP  37           HN       ASP  37  10.571   4.633   6.865
  267    HA   ASP  37           HA       ASP  37  13.242   4.048   7.472
  268    HB2  ASP  37           HB2      ASP  37  11.415   3.557   8.994
  269    HB3  ASP  37           HB1      ASP  37  10.697   2.462   7.829
  270    H    ILE  38           HN       ILE  38  10.907   2.442   5.354
  271    HA   ILE  38           HA       ILE  38  12.925   0.571   4.535
  272    HB   ILE  38           HB       ILE  38  11.140  -0.467   3.105
  273   HG12  ILE  38          HG12      ILE  38   9.374   1.585   4.480
  274   HG13  ILE  38          HG11      ILE  38   9.738   1.538   2.760
  275   HG21  ILE  38          HG21      ILE  38  10.515  -0.129   6.053
  276   HG22  ILE  38          HG22      ILE  38  11.625  -1.313   5.352
  277   HG23  ILE  38          HG23      ILE  38   9.887  -1.413   5.016
  278   HD11  ILE  38          HD11      ILE  38   8.189  -0.524   4.306
  279   HD12  ILE  38          HD12      ILE  38   8.567  -0.600   2.584
  280   HD13  ILE  38          HD13      ILE  38   7.511   0.681   3.212
  281    H    GLY  39           HN       GLY  39  12.671   3.572   3.692
  282    HA2  GLY  39           HA2      GLY  39  13.535   4.799   1.971
  283    HA3  GLY  39           HA1      GLY  39  14.218   3.302   1.338
  284    H    TYR  40           HN       TYR  40  10.863   4.466   1.724
  285    HA   TYR  40           HA       TYR  40  10.514   3.946  -1.136
  286    HB2  TYR  40           HB2      TYR  40   8.813   3.366   1.200
  287    HB3  TYR  40           HB1      TYR  40   7.983   3.982  -0.211
  288    HD1  TYR  40           HD2      TYR  40  10.332   1.346   0.911
  289    HD2  TYR  40           HD1      TYR  40   7.460   2.533  -1.995
  290    HE1  TYR  40           HE2      TYR  40  10.408  -0.880  -0.038
  291    HE2  TYR  40           HE1      TYR  40   7.511   0.282  -2.975
  292    HH   TYR  40           HH       TYR  40   9.165  -2.350  -1.411
  293    H    ASP  41           HN       ASP  41  10.393   5.727  -2.290
  294    HA   ASP  41           HA       ASP  41   9.445   8.202  -1.124
  295    HB2  ASP  41           HB2      ASP  41  10.063   7.616  -4.039
  296    HB3  ASP  41           HB1      ASP  41   9.642   9.157  -3.419
  297    H    SER  42           HN       SER  42   7.812   9.399  -2.562
  298    HA   SER  42           HA       SER  42   5.402   8.009  -2.296
  299    HB2  SER  42           HB2      SER  42   4.440  10.036  -3.367
  300    HB3  SER  42           HB1      SER  42   5.480  10.409  -2.009
  301    H    LEU  43           HN       LEU  43   7.539   8.650  -4.957
  302    HA   LEU  43           HA       LEU  43   6.068   8.017  -7.210
  303    HB2  LEU  43           HB2      LEU  43   8.363   8.752  -7.412
  304    HB3  LEU  43           HB1      LEU  43   8.935   7.364  -6.542
  305    HG   LEU  43           HG       LEU  43   8.338   5.908  -8.440
  306   HD11  LEU  43          HD11      LEU  43   6.465   7.173  -9.338
  307   HD12  LEU  43          HD12      LEU  43   7.687   6.879 -10.570
  308   HD13  LEU  43          HD13      LEU  43   7.545   8.474  -9.834
  309   HD21  LEU  43          HD21      LEU  43  10.031   8.290  -9.169
  310   HD22  LEU  43          HD22      LEU  43  10.044   6.733  -9.987
  311   HD23  LEU  43          HD23      LEU  43  10.561   6.841  -8.304
  312    H    ALA  44           HN       ALA  44   7.810   5.725  -5.151
  313    HA   ALA  44           HA       ALA  44   6.841   3.490  -6.608
  314    HB1  ALA  44           HB1      ALA  44   7.945   2.146  -4.854
  315    HB2  ALA  44           HB2      ALA  44   8.181   3.615  -3.913
  316    HB3  ALA  44           HB3      ALA  44   9.009   3.419  -5.454
  317    H    LEU  45           HN       LEU  45   6.003   5.144  -3.693
  318    HA   LEU  45           HA       LEU  45   4.294   3.251  -2.500
  319    HB2  LEU  45           HB2      LEU  45   5.458   5.493  -1.691
  320    HB3  LEU  45           HB1      LEU  45   3.923   6.164  -2.185
  321    HG   LEU  45           HG       LEU  45   4.263   4.051  -0.065
  322   HD11  LEU  45          HD11      LEU  45   3.799   7.003   0.145
  323   HD12  LEU  45          HD12      LEU  45   5.267   6.109   0.564
  324   HD13  LEU  45          HD13      LEU  45   3.802   5.849   1.490
  325   HD21  LEU  45          HD21      LEU  45   2.071   3.980  -1.137
  326   HD22  LEU  45          HD22      LEU  45   1.862   5.702  -0.840
  327   HD23  LEU  45          HD23      LEU  45   1.945   4.569   0.523
  328    H    MET  46           HN       MET  46   3.550   6.152  -4.583
  329    HA   MET  46           HA       MET  46   0.787   5.663  -4.307
  330    HB2  MET  46           HB2      MET  46   2.239   7.502  -6.199
  331    HB3  MET  46           HB1      MET  46   0.482   7.444  -6.025
  332    HG2  MET  46           HG2      MET  46   0.776   7.986  -3.618
  333    HG3  MET  46           HG1      MET  46   2.491   8.228  -3.947
  334    HE1  MET  46           HE1      MET  46   0.797  10.487  -2.558
  335    HE2  MET  46           HE2      MET  46   1.317  11.905  -3.458
  336    HE3  MET  46           HE3      MET  46   2.488  10.669  -2.997
  337    H    GLU  47           HN       GLU  47   3.137   4.545  -6.585
  338    HA   GLU  47           HA       GLU  47   1.250   3.676  -8.503
  339    HB2  GLU  47           HB2      GLU  47   4.042   2.611  -7.931
  340    HB3  GLU  47           HB1      GLU  47   3.074   2.210  -9.342
  341    HG2  GLU  47           HG2      GLU  47   4.059   4.956  -8.612
  342    HG3  GLU  47           HG1      GLU  47   4.744   3.911  -9.858
  343    H    THR  48           HN       THR  48   2.500   2.331  -5.534
  344    HA   THR  48           HA       THR  48   1.433  -0.291  -5.663
  345    HB   THR  48           HB       THR  48   1.831   1.504  -3.248
  346    HG1  THR  48           HG1      THR  48   3.532   0.316  -4.952
  347   HG21  THR  48          HG21      THR  48   2.050  -0.587  -1.982
  348   HG22  THR  48          HG22      THR  48   1.698  -1.525  -3.434
  349   HG23  THR  48          HG23      THR  48   0.455  -0.483  -2.725
  350    H    ALA  49           HN       ALA  49   0.142   2.753  -4.425
  351    HA   ALA  49           HA       ALA  49  -2.337   1.828  -3.503
  352    HB1  ALA  49           HB1      ALA  49  -3.075   4.163  -3.652
  353    HB2  ALA  49           HB2      ALA  49  -1.672   4.544  -4.646
  354    HB3  ALA  49           HB3      ALA  49  -1.456   4.062  -2.967
  355    H    ALA  50           HN       ALA  50  -1.464   3.261  -6.635
  356    HA   ALA  50           HA       ALA  50  -3.941   2.989  -7.889
  357    HB1  ALA  50           HB1      ALA  50  -2.695   3.216  -9.999
  358    HB2  ALA  50           HB2      ALA  50  -1.202   2.863  -9.141
  359    HB3  ALA  50           HB3      ALA  50  -2.075   4.342  -8.792
  360    H    ARG  51           HN       ARG  51  -1.236   0.727  -7.683
  361    HA   ARG  51           HA       ARG  51  -2.163  -1.311  -9.330
  362    HB2  ARG  51           HB2      ARG  51   0.124  -1.226  -8.470
  363    HB3  ARG  51           HB1      ARG  51  -0.462  -1.443  -6.835
  364    HG2  ARG  51           HG2      ARG  51   0.507  -3.516  -7.716
  365    HG3  ARG  51           HG1      ARG  51  -1.208  -3.709  -7.374
  366    HD2  ARG  51           HD2      ARG  51  -1.697  -3.408  -9.745
  367    HD3  ARG  51           HD1      ARG  51   0.028  -3.225 -10.079
  368    HE   ARG  51           HE       ARG  51   0.233  -5.518  -9.025
  369   HH11  ARG  51          HH11      ARG  51  -2.685  -4.571 -10.874
  370   HH12  ARG  51          HH12      ARG  51  -3.048  -6.163 -11.292
  371   HH21  ARG  51          HH21      ARG  51  -0.173  -7.597  -9.749
  372   HH22  ARG  51          HH22      ARG  51  -1.562  -7.971 -10.708
  373    H    LEU  52           HN       LEU  52  -2.701  -0.786  -5.895
  374    HA   LEU  52           HA       LEU  52  -4.261  -3.131  -5.544
  375    HB2  LEU  52           HB2      LEU  52  -4.017  -0.636  -3.854
  376    HB3  LEU  52           HB1      LEU  52  -4.898  -2.087  -3.386
  377    HG   LEU  52           HG       LEU  52  -1.954  -2.025  -3.975
  378   HD11  LEU  52          HD11      LEU  52  -1.661  -2.264  -1.555
  379   HD12  LEU  52          HD12      LEU  52  -3.408  -2.101  -1.339
  380   HD13  LEU  52          HD13      LEU  52  -2.472  -0.745  -1.973
  381   HD21  LEU  52          HD21      LEU  52  -1.984  -4.257  -2.968
  382   HD22  LEU  52          HD22      LEU  52  -3.019  -4.181  -4.390
  383   HD23  LEU  52          HD23      LEU  52  -3.727  -4.161  -2.783
  384    H    GLU  53           HN       GLU  53  -5.096   0.273  -6.110
  385    HA   GLU  53           HA       GLU  53  -7.899   0.013  -5.917
  386    HB2  GLU  53           HB2      GLU  53  -6.323   1.878  -7.713
  387    HB3  GLU  53           HB1      GLU  53  -8.020   2.023  -7.286
  388    HG2  GLU  53           HG2      GLU  53  -7.400   2.472  -4.971
  389    HG3  GLU  53           HG1      GLU  53  -5.694   2.292  -5.407
  390    H    SER  54           HN       SER  54  -5.661  -0.352  -8.646
  391    HA   SER  54           HA       SER  54  -7.680  -0.694 -10.598
  392    HB2  SER  54           HB2      SER  54  -5.362   0.044 -11.079
  393    HB3  SER  54           HB1      SER  54  -4.785  -1.553 -10.696
  394    HG   SER  54           HG       SER  54  -6.648  -2.022 -12.416
  395    H    ARG  55           HN       ARG  55  -5.836  -2.919  -8.637
  396    HA   ARG  55           HA       ARG  55  -6.783  -5.247  -9.973
  397    HB2  ARG  55           HB2      ARG  55  -4.675  -5.371  -8.813
  398    HB3  ARG  55           HB1      ARG  55  -5.410  -4.870  -7.316
  399    HG2  ARG  55           HG2      ARG  55  -6.579  -6.966  -7.135
  400    HG3  ARG  55           HG1      ARG  55  -5.982  -7.474  -8.721
  401    HD2  ARG  55           HD2      ARG  55  -3.776  -7.641  -7.949
  402    HD3  ARG  55           HD1      ARG  55  -4.110  -6.719  -6.485
  403    HE   ARG  55           HE       ARG  55  -5.644  -9.105  -6.579
  404   HH11  ARG  55          HH11      ARG  55  -2.289  -8.145  -6.078
  405   HH12  ARG  55          HH12      ARG  55  -2.021  -9.263  -4.808
  406   HH21  ARG  55          HH21      ARG  55  -5.279 -10.589  -4.875
  407   HH22  ARG  55          HH22      ARG  55  -3.779 -10.651  -4.032
  408    H    TYR  56           HN       TYR  56  -7.906  -3.527  -7.080
  409    HA   TYR  56           HA       TYR  56  -9.967  -5.569  -6.861
  410    HB2  TYR  56           HB2      TYR  56  -8.961  -3.618  -4.819
  411    HB3  TYR  56           HB1      TYR  56 -10.445  -4.537  -4.578
  412    HD1  TYR  56           HD1      TYR  56 -10.368  -6.986  -4.475
  413    HD2  TYR  56           HD2      TYR  56  -6.825  -4.660  -4.593
  414    HE1  TYR  56           HE1      TYR  56  -9.078  -8.930  -3.688
  415    HE2  TYR  56           HE2      TYR  56  -5.514  -6.618  -3.801
  416    HH   TYR  56           HH       TYR  56  -5.925  -8.729  -2.561
  417    H    GLY  57           HN       GLY  57  -9.724  -2.368  -7.924
  418    HA2  GLY  57           HA2      GLY  57 -11.425  -1.210  -9.023
  419    HA3  GLY  57           HA1      GLY  57 -12.592  -2.345  -8.353
  420    H    VAL  58           HN       VAL  58 -10.184  -0.294  -6.746
  421    HA   VAL  58           HA       VAL  58 -12.444   0.934  -5.310
  422    HB   VAL  58           HB       VAL  58 -11.355   0.957  -3.249
  423   HG11  VAL  58          HG11      VAL  58 -12.118  -1.262  -3.841
  424   HG12  VAL  58          HG12      VAL  58 -10.715  -1.332  -2.763
  425   HG13  VAL  58          HG13      VAL  58 -10.498  -1.595  -4.500
  426   HG21  VAL  58          HG21      VAL  58  -8.714   0.150  -4.515
  427   HG22  VAL  58          HG22      VAL  58  -9.031   0.376  -2.795
  428   HG23  VAL  58          HG23      VAL  58  -9.132   1.746  -3.892
  429    H    SER  59           HN       SER  59 -11.410   3.043  -4.011
  430    HA   SER  59           HA       SER  59  -9.702   4.504  -5.807
  431    HB2  SER  59           HB2      SER  59 -11.358   6.365  -5.871
  432    HB3  SER  59           HB1      SER  59 -11.840   4.948  -6.808
  433    HG   SER  59           HG       SER  59 -12.651   5.416  -4.132
  434    H    ILE  60           HN       ILE  60  -8.289   5.443  -4.539
  435    HA   ILE  60           HA       ILE  60  -9.034   6.144  -1.799
  436    HB   ILE  60           HB       ILE  60  -6.278   6.021  -3.100
  437   HG12  ILE  60          HG12      ILE  60  -7.582   4.202  -1.047
  438   HG13  ILE  60          HG11      ILE  60  -7.333   3.808  -2.739
  439   HG21  ILE  60          HG21      ILE  60  -6.361   7.734  -1.375
  440   HG22  ILE  60          HG22      ILE  60  -5.376   6.369  -0.829
  441   HG23  ILE  60          HG23      ILE  60  -7.022   6.581  -0.214
  442   HD11  ILE  60          HD11      ILE  60  -5.669   2.740  -1.280
  443   HD12  ILE  60          HD12      ILE  60  -5.157   4.330  -0.711
  444   HD13  ILE  60          HD13      ILE  60  -4.912   3.870  -2.399
  445    HA   PRO  61           HA       PRO  61  -9.566  10.290  -3.338
  446    HB2  PRO  61           HB2      PRO  61  -9.983  11.070  -0.556
  447    HB3  PRO  61           HB1      PRO  61 -11.131  11.069  -1.909
  448    HG2  PRO  61           HG2      PRO  61 -11.287   9.291   0.166
  449    HG3  PRO  61           HG1      PRO  61 -11.814   8.884  -1.483
  450    HD2  PRO  61           HD2      PRO  61  -9.256   8.225  -0.079
  451    HD3  PRO  61           HD1      PRO  61 -10.256   7.181  -1.098
  452    H    ASP  62           HN       ASP  62  -8.364  12.016  -3.568
  453    HA   ASP  62           HA       ASP  62  -5.707  12.284  -3.183
  454    HB2  ASP  62           HB2      ASP  62  -6.887  13.732  -4.649
  455    HB3  ASP  62           HB1      ASP  62  -7.764  14.479  -3.323
  456    H    ASP  63           HN       ASP  63  -8.038  13.843  -0.999
  457    HA   ASP  63           HA       ASP  63  -6.192  15.079   0.716
  458    HB2  ASP  63           HB2      ASP  63  -9.015  14.154   1.278
  459    HB3  ASP  63           HB1      ASP  63  -8.063  15.127   2.384
  460    H    VAL  64           HN       VAL  64  -7.372  11.821   0.679
  461    HA   VAL  64           HA       VAL  64  -6.708  11.353   3.415
  462    HB   VAL  64           HB       VAL  64  -7.487   9.269   1.346
  463   HG11  VAL  64          HG11      VAL  64  -8.220   7.952   3.274
  464   HG12  VAL  64          HG12      VAL  64  -7.607   9.200   4.360
  465   HG13  VAL  64          HG13      VAL  64  -6.501   8.286   3.328
  466   HG21  VAL  64          HG21      VAL  64  -9.173  11.000   1.484
  467   HG22  VAL  64          HG22      VAL  64  -9.208  10.838   3.242
  468   HG23  VAL  64          HG23      VAL  64  -9.760   9.501   2.224
  469    H    ALA  65           HN       ALA  65  -4.941  11.410   0.583
  470    HA   ALA  65           HA       ALA  65  -3.073   9.355   0.912
  471    HB1  ALA  65           HB1      ALA  65  -1.621  10.684  -0.571
  472    HB2  ALA  65           HB2      ALA  65  -2.672  12.079  -0.351
  473    HB3  ALA  65           HB3      ALA  65  -3.279  10.635  -1.166
  474    H    GLY  66           HN       GLY  66  -3.217  12.601   2.255
  475    HA2  GLY  66           HA2      GLY  66  -0.574  12.357   3.412
  476    HA3  GLY  66           HA1      GLY  66  -1.635  13.752   3.523
  477    H    ARG  67           HN       ARG  67  -2.697  10.534   4.360
  478    HA   ARG  67           HA       ARG  67  -2.626  11.317   7.197
  479    HB2  ARG  67           HB2      ARG  67  -4.772   9.856   5.675
  480    HB3  ARG  67           HB1      ARG  67  -4.558   9.570   7.387
  481    HG2  ARG  67           HG2      ARG  67  -6.322  11.175   7.058
  482    HG3  ARG  67           HG1      ARG  67  -4.930  11.982   7.788
  483    HD2  ARG  67           HD2      ARG  67  -4.343  13.004   5.710
  484    HD3  ARG  67           HD1      ARG  67  -5.549  12.066   4.845
  485    HE   ARG  67           HE       ARG  67  -7.084  13.349   6.597
  486   HH11  ARG  67          HH11      ARG  67  -4.458  14.665   4.592
  487   HH12  ARG  67          HH12      ARG  67  -5.192  16.163   4.329
  488   HH21  ARG  67          HH21      ARG  67  -8.124  15.520   6.224
  489   HH22  ARG  67          HH22      ARG  67  -7.333  16.639   5.238
  490    H    VAL  68           HN       VAL  68  -1.000   9.398   5.164
  491    HA   VAL  68           HA       VAL  68  -0.763   7.269   7.173
  492    HB   VAL  68           HB       VAL  68  -0.374   5.610   5.408
  493   HG11  VAL  68          HG11      VAL  68  -2.637   5.425   4.482
  494   HG12  VAL  68          HG12      VAL  68  -2.961   7.073   5.019
  495   HG13  VAL  68          HG13      VAL  68  -2.633   5.810   6.217
  496   HG21  VAL  68          HG21      VAL  68  -1.054   7.807   3.437
  497   HG22  VAL  68          HG22      VAL  68  -0.844   6.110   3.032
  498   HG23  VAL  68          HG23      VAL  68   0.524   7.029   3.648
  499    H    ASP  69           HN       ASP  69   1.261   6.601   7.672
  500    HA   ASP  69           HA       ASP  69   3.314   7.087   5.741
  501    HB2  ASP  69           HB2      ASP  69   5.029   7.970   7.269
  502    HB3  ASP  69           HB1      ASP  69   3.672   9.066   7.141
  503    H    THR  70           HN       THR  70   1.813   4.972   7.550
  504    HA   THR  70           HA       THR  70   4.086   3.151   7.292
  505    HB   THR  70           HB       THR  70   3.132   1.825   9.189
  506    HG1  THR  70           HG1      THR  70   1.402   4.077   9.430
  507   HG21  THR  70          HG21      THR  70   4.919   3.406   9.643
  508   HG22  THR  70          HG22      THR  70   3.808   3.303  11.012
  509   HG23  THR  70          HG23      THR  70   3.741   4.690   9.895
  510    HA   PRO  71           HA       PRO  71   1.439   0.904   4.429
  511    HB2  PRO  71           HB2      PRO  71   2.714  -1.522   5.644
  512    HB3  PRO  71           HB1      PRO  71   2.594  -1.047   3.944
  513    HG2  PRO  71           HG2      PRO  71   4.862  -0.798   5.219
  514    HG3  PRO  71           HG1      PRO  71   4.330   0.483   4.109
  515    HD2  PRO  71           HD2      PRO  71   4.277   0.425   7.100
  516    HD3  PRO  71           HD1      PRO  71   4.686   1.764   5.987
  517    H    ARG  72           HN       ARG  72   1.614   0.197   7.784
  518    HA   ARG  72           HA       ARG  72  -0.424  -1.603   8.365
  519    HB2  ARG  72           HB2      ARG  72   1.131  -0.638   9.980
  520    HB3  ARG  72           HB1      ARG  72   0.456   0.939   9.739
  521    HG2  ARG  72           HG2      ARG  72  -1.675   0.098  10.713
  522    HG3  ARG  72           HG1      ARG  72  -0.823  -1.411  11.096
  523    HD2  ARG  72           HD2      ARG  72  -0.783   0.079  13.012
  524    HD3  ARG  72           HD1      ARG  72   0.849  -0.095  12.368
  525    HE   ARG  72           HE       ARG  72  -0.384   2.143  11.196
  526   HH11  ARG  72          HH11      ARG  72   1.378   1.178  14.100
  527   HH12  ARG  72          HH12      ARG  72   1.376   2.755  14.772
  528   HH21  ARG  72          HH21      ARG  72  -0.252   4.411  12.104
  529   HH22  ARG  72          HH22      ARG  72   0.453   4.568  13.644
  530    H    GLU  73           HN       GLU  73  -0.550   1.869   7.895
  531    HA   GLU  73           HA       GLU  73  -3.338   2.110   8.421
  532    HB2  GLU  73           HB2      GLU  73  -1.339   4.073   7.319
  533    HB3  GLU  73           HB1      GLU  73  -2.895   4.487   8.024
  534    HG2  GLU  73           HG2      GLU  73  -2.203   3.725  10.150
  535    HG3  GLU  73           HG1      GLU  73  -0.745   2.988   9.497
  536    H    LEU  74           HN       LEU  74  -1.251   1.819   5.685
  537    HA   LEU  74           HA       LEU  74  -3.007   2.729   3.643
  538    HB2  LEU  74           HB2      LEU  74  -0.409   2.186   3.696
  539    HB3  LEU  74           HB1      LEU  74  -0.934   0.588   3.224
  540    HG   LEU  74           HG       LEU  74  -1.274   3.148   1.645
  541   HD11  LEU  74          HD11      LEU  74   0.407   0.713   1.121
  542   HD12  LEU  74          HD12      LEU  74   0.993   2.297   1.628
  543   HD13  LEU  74          HD13      LEU  74   0.238   2.100   0.053
  544   HD21  LEU  74          HD21      LEU  74  -3.188   1.669   1.276
  545   HD22  LEU  74          HD22      LEU  74  -2.082   0.346   0.891
  546   HD23  LEU  74          HD23      LEU  74  -2.172   1.765  -0.159
  547    H    LEU  75           HN       LEU  75  -2.189  -0.456   5.010
  548    HA   LEU  75           HA       LEU  75  -3.909  -2.043   3.458
  549    HB2  LEU  75           HB2      LEU  75  -2.024  -2.920   4.812
  550    HB3  LEU  75           HB1      LEU  75  -2.921  -2.553   6.269
  551    HG   LEU  75           HG       LEU  75  -4.683  -4.186   5.488
  552   HD11  LEU  75          HD11      LEU  75  -4.090  -4.202   3.124
  553   HD12  LEU  75          HD12      LEU  75  -4.037  -5.828   3.840
  554   HD13  LEU  75          HD13      LEU  75  -2.540  -4.947   3.538
  555   HD21  LEU  75          HD21      LEU  75  -1.893  -5.247   5.957
  556   HD22  LEU  75          HD22      LEU  75  -3.394  -6.143   6.189
  557   HD23  LEU  75          HD23      LEU  75  -3.027  -4.750   7.213
  558    H    ASP  76           HN       ASP  76  -4.246  -0.721   6.722
  559    HA   ASP  76           HA       ASP  76  -6.714  -1.663   7.519
  560    HB2  ASP  76           HB2      ASP  76  -5.170  -0.457   8.971
  561    HB3  ASP  76           HB1      ASP  76  -5.447   1.026   8.078
  562    H    LEU  77           HN       LEU  77  -6.003   1.376   5.889
  563    HA   LEU  77           HA       LEU  77  -8.573   2.426   5.726
  564    HB2  LEU  77           HB2      LEU  77  -6.515   3.689   5.465
  565    HB3  LEU  77           HB1      LEU  77  -6.181   2.844   3.970
  566    HG   LEU  77           HG       LEU  77  -8.177   3.907   2.967
  567   HD11  LEU  77          HD11      LEU  77  -9.465   4.226   4.973
  568   HD12  LEU  77          HD12      LEU  77  -9.234   5.767   4.146
  569   HD13  LEU  77          HD13      LEU  77  -8.286   5.370   5.583
  570   HD21  LEU  77          HD21      LEU  77  -5.956   4.871   2.708
  571   HD22  LEU  77          HD22      LEU  77  -6.182   5.778   4.202
  572   HD23  LEU  77          HD23      LEU  77  -7.181   6.130   2.799
  573    H    ILE  78           HN       ILE  78  -6.768   0.403   3.435
  574    HA   ILE  78           HA       ILE  78  -8.776   0.640   1.436
  575    HB   ILE  78           HB       ILE  78  -6.437  -1.285   1.598
  576   HG12  ILE  78          HG12      ILE  78  -7.018   1.190  -0.020
  577   HG13  ILE  78          HG11      ILE  78  -5.817   1.029   1.255
  578   HG21  ILE  78          HG21      ILE  78  -6.918  -1.869  -0.733
  579   HG22  ILE  78          HG22      ILE  78  -8.419  -0.925  -0.666
  580   HG23  ILE  78          HG23      ILE  78  -8.230  -2.356   0.356
  581   HD11  ILE  78          HD11      ILE  78  -4.771   1.003  -0.951
  582   HD12  ILE  78          HD12      ILE  78  -5.769  -0.365  -1.418
  583   HD13  ILE  78          HD13      ILE  78  -4.560  -0.550  -0.147
  584    H    ASN  79           HN       ASN  79  -7.891  -1.793   3.830
  585    HA   ASN  79           HA       ASN  79  -9.767  -3.758   3.101
  586    HB2  ASN  79           HB2      ASN  79  -8.543  -3.152   5.800
  587    HB3  ASN  79           HB1      ASN  79  -9.669  -4.476   5.539
  588   HD21  ASN  79          HD21      ASN  79  -8.403  -4.927   2.815
  589   HD22  ASN  79          HD22      ASN  79  -6.927  -5.750   3.201
  590    H    GLY  80           HN       GLY  80 -10.058  -0.976   5.258
  591    HA2  GLY  80           HA2      GLY  80 -12.658  -1.501   6.182
  592    HA3  GLY  80           HA1      GLY  80 -11.866   0.084   6.106
  593    H    ALA  81           HN       ALA  81 -11.546   0.248   3.280
  594    HA   ALA  81           HA       ALA  81 -14.164   1.148   2.612
  595    HB1  ALA  81           HB1      ALA  81 -11.681   0.967   0.923
  596    HB2  ALA  81           HB2      ALA  81 -12.163   2.336   1.934
  597    HB3  ALA  81           HB3      ALA  81 -13.149   1.897   0.538
  598    H    LEU  82           HN       LEU  82 -12.226  -1.650   1.809
  599    HA   LEU  82           HA       LEU  82 -13.728  -2.744  -0.268
  600    HB2  LEU  82           HB2      LEU  82 -12.303  -4.152   1.981
  601    HB3  LEU  82           HB1      LEU  82 -12.918  -4.953   0.560
  602    HG   LEU  82           HG       LEU  82 -10.752  -2.867   0.548
  603   HD11  LEU  82          HD11      LEU  82  -9.274  -4.753   0.087
  604   HD12  LEU  82          HD12      LEU  82 -10.621  -5.878   0.279
  605   HD13  LEU  82          HD13      LEU  82 -10.067  -4.929   1.652
  606   HD21  LEU  82          HD21      LEU  82 -12.035  -2.940  -1.523
  607   HD22  LEU  82          HD22      LEU  82 -11.774  -4.692  -1.635
  608   HD23  LEU  82          HD23      LEU  82 -10.406  -3.585  -1.746
  609    H    ALA  83           HN       ALA  83 -14.250  -2.795   3.207
  610    HA   ALA  83           HA       ALA  83 -16.314  -4.740   3.196
  611    HB1  ALA  83           HB1      ALA  83 -14.952  -4.278   5.164
  612    HB2  ALA  83           HB2      ALA  83 -16.685  -4.125   5.487
  613    HB3  ALA  83           HB3      ALA  83 -15.703  -2.670   5.307
  614    H    GLU  84           HN       GLU  84 -16.309  -1.503   2.278
  615    HA   GLU  84           HA       GLU  84 -19.232  -1.362   2.568
  616    HB2  GLU  84           HB2      GLU  84 -17.928   0.483   3.652
  617    HB3  GLU  84           HB1      GLU  84 -17.227   0.887   2.095
  618    HG2  GLU  84           HG2      GLU  84 -19.224   1.768   1.280
  619    HG3  GLU  84           HG1      GLU  84 -20.172   0.938   2.507
  620    H    ALA  85           HN       ALA  85 -17.120  -2.471   0.503
  621    HA   ALA  85           HA       ALA  85 -18.569  -1.519  -1.879
  622    HB1  ALA  85           HB1      ALA  85 -16.132  -1.049  -1.936
  623    HB2  ALA  85           HB2      ALA  85 -16.595  -2.216  -3.188
  624    HB3  ALA  85           HB3      ALA  85 -15.826  -2.770  -1.703
  625    H    ALA  86           HN       ALA  86 -17.012  -4.389  -0.464
  626    HA   ALA  86           HA       ALA  86 -17.413  -6.525  -0.454
  627    HB1  ALA  86           HB1      ALA  86 -19.710  -5.976   0.262
  628    HB2  ALA  86           HB2      ALA  86 -19.674  -7.431  -0.722
  629    HB3  ALA  86           HB3      ALA  86 -20.230  -5.918  -1.422
  630   H28A  SXR 101          H28A      SXR  42   5.153   9.598  -6.110
  631   H28B  SXR 101          H28B      SXR  42   3.666  10.415  -5.694
  632   H30A  SXR 101          H30A      SXR  42   3.781   8.466  -8.509
  633   H30B  SXR 101          H30B      SXR  42   2.428   9.571  -8.633
  634   H30C  SXR 101          H30C      SXR  42   2.896   8.929  -7.062
  635   H31A  SXR 101          H31A      SXR  42   2.482  11.549  -8.395
  636   H31B  SXR 101          H31B      SXR  42   4.001  12.167  -9.087
  637   H31C  SXR 101          H31C      SXR  42   3.629  12.435  -7.382
  638   H32A  SXR 101          H32A      SXR  42   6.115   9.374  -8.384
  639   H33A  SXR 101          H33A      SXR  42   6.487  11.750  -9.419
  640   H36A  SXR 101          H36A      SXR  42   4.361   8.484 -10.009
  641   H37A  SXR 101          H37A      SXR  42   4.208   9.830 -12.579
  642   H37B  SXR 101          H37B      SXR  42   5.131   8.321 -12.529
  643   H38A  SXR 101          H38A      SXR  42   2.809   7.916 -13.200
  644   H38B  SXR 101          H38B      SXR  42   3.160   7.158 -11.645
  645   H41A  SXR 101          H41A      SXR  42   1.488   7.294 -10.335
  646   H42A  SXR 101          H42A      SXR  42   0.350   8.897  -8.817
  647   H42B  SXR 101          H42B      SXR  42   0.026   9.844 -10.215
  648   H43A  SXR 101          H43A      SXR  42  -1.422   7.822 -11.081
  649   H43B  SXR 101          H43B      SXR  42  -1.993   8.797  -9.744
  650   H11A  SXR 101          H11A      SXR  42  -0.334   8.906  -2.026
  651   H10A  SXR 101          H10A      SXR  42   0.702   7.630  -0.193
  652    H9A  SXR 101           H9A      SXR  42  -0.515   5.744   0.866
  653    H8A  SXR 101           H8A      SXR  42  -2.757   5.143   0.094
  654    H7A  SXR 101           H7A      SXR  42  -3.813   6.419  -1.748
  655    H5A  SXR 101           H5A      SXR  42  -3.363   9.461  -3.110
  656    H5B  SXR 101           H5B      SXR  42  -1.880   9.126  -3.255
  657    H4A  SXR 101           H4A      SXR  42  -3.112   6.649  -4.530
  658    H4B  SXR 101           H4B      SXR  42  -4.154   7.649  -4.123
  659    H2A  SXR 101           H2A      SXR  42  -3.557   7.029  -7.426
  660    H2B  SXR 101           H2B      SXR  42  -3.420   8.513  -7.556
  661    H1A  SXR 101           H1A      SXR  42  -0.582   8.165  -7.214
  662    H1B  SXR 101           H1B      SXR  42  -1.270   6.908  -6.673
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1 -19.097  -9.849  -2.283
    2    H2   MET   1           HT2      MET   1 -18.056 -10.276  -3.520
    3    H3   MET   1           HT3      MET   1 -19.714 -10.201  -3.830
    4    HA   MET   1           HA       MET   1 -18.620  -8.330  -4.775
    5    HB2  MET   1           HB2      MET   1 -20.121  -7.678  -2.242
    6    HB3  MET   1           HB1      MET   1 -19.666  -6.458  -3.420
    7    HG2  MET   1           HG2      MET   1 -21.046  -7.517  -5.088
    8    HG3  MET   1           HG1      MET   1 -21.406  -8.830  -3.962
    9    HE1  MET   1           HE1      MET   1 -23.546  -6.969  -5.575
   10    HE2  MET   1           HE2      MET   1 -24.786  -6.798  -4.336
   11    HE3  MET   1           HE3      MET   1 -24.009  -8.358  -4.582
   12    H    ALA   2           HN       ALA   2 -18.201  -8.021  -1.214
   13    HA   ALA   2           HA       ALA   2 -15.832  -6.482  -1.584
   14    HB1  ALA   2           HB1      ALA   2 -15.703  -6.507   0.861
   15    HB2  ALA   2           HB2      ALA   2 -17.002  -7.701   0.938
   16    HB3  ALA   2           HB3      ALA   2 -17.324  -6.081   0.324
   17    H    THR   3           HN       THR   3 -13.827  -7.154  -1.616
   18    HA   THR   3           HA       THR   3 -13.183  -9.913  -0.868
   19    HB   THR   3           HB       THR   3 -12.097  -8.466  -3.317
   20    HG1  THR   3           HG1      THR   3 -13.636  -9.402  -4.454
   21   HG21  THR   3          HG21      THR   3 -10.600 -10.165  -2.337
   22   HG22  THR   3          HG22      THR   3 -11.210 -10.671  -3.912
   23   HG23  THR   3          HG23      THR   3 -11.891 -11.362  -2.432
   24    H    LEU   4           HN       LEU   4 -12.332  -9.165   1.058
   25    HA   LEU   4           HA       LEU   4 -10.609  -6.961   1.321
   26    HB2  LEU   4           HB2      LEU   4 -11.136  -9.317   3.147
   27    HB3  LEU   4           HB1      LEU   4 -10.065  -8.011   3.558
   28    HG   LEU   4           HG       LEU   4 -12.177  -7.765   4.673
   29   HD11  LEU   4          HD11      LEU   4 -11.841  -5.687   2.547
   30   HD12  LEU   4          HD12      LEU   4 -11.038  -5.739   4.135
   31   HD13  LEU   4          HD13      LEU   4 -12.784  -5.508   4.019
   32   HD21  LEU   4          HD21      LEU   4 -13.445  -7.611   1.943
   33   HD22  LEU   4          HD22      LEU   4 -14.265  -7.260   3.462
   34   HD23  LEU   4          HD23      LEU   4 -13.689  -8.905   3.124
   35    H    LEU   5           HN       LEU   5  -8.593  -6.801   0.842
   36    HA   LEU   5           HA       LEU   5  -7.005  -9.116   0.151
   37    HB2  LEU   5           HB2      LEU   5  -5.361  -7.648  -0.755
   38    HB3  LEU   5           HB1      LEU   5  -6.914  -7.066  -1.293
   39    HG   LEU   5           HG       LEU   5  -5.364  -5.820   0.996
   40   HD11  LEU   5          HD11      LEU   5  -4.000  -5.659  -0.950
   41   HD12  LEU   5          HD12      LEU   5  -4.699  -4.084  -0.623
   42   HD13  LEU   5          HD13      LEU   5  -5.365  -5.085  -1.908
   43   HD21  LEU   5          HD21      LEU   5  -7.618  -5.064   1.117
   44   HD22  LEU   5          HD22      LEU   5  -7.698  -4.910  -0.647
   45   HD23  LEU   5          HD23      LEU   5  -6.703  -3.801   0.284
   46    H    THR   6           HN       THR   6  -5.052  -9.731   1.190
   47    HA   THR   6           HA       THR   6  -4.883  -8.864   3.933
   48    HB   THR   6           HB       THR   6  -3.309 -10.984   3.851
   49    HG1  THR   6           HG1      THR   6  -3.402 -11.967   1.902
   50   HG21  THR   6          HG21      THR   6  -5.323 -12.376   4.320
   51   HG22  THR   6          HG22      THR   6  -6.329 -11.116   3.613
   52   HG23  THR   6          HG23      THR   6  -5.445 -10.797   5.107
   53    H    THR   7           HN       THR   7  -2.439  -9.266   4.744
   54    HA   THR   7           HA       THR   7  -0.907  -7.138   3.735
   55    HB   THR   7           HB       THR   7   0.138  -9.329   5.497
   56    HG1  THR   7           HG1      THR   7  -0.979  -7.881   7.182
   57   HG21  THR   7          HG21      THR   7   1.220  -7.371   6.581
   58   HG22  THR   7          HG22      THR   7   0.422  -6.317   5.409
   59   HG23  THR   7          HG23      THR   7   1.606  -7.491   4.860
   60    H    ASP   8           HN       ASP   8  -0.837 -10.605   3.299
   61    HA   ASP   8           HA       ASP   8   1.671 -10.799   2.062
   62    HB2  ASP   8           HB2      ASP   8   0.534 -12.920   1.012
   63    HB3  ASP   8           HB1      ASP   8   0.892 -12.858   2.747
   64    H    ASP   9           HN       ASP   9  -1.516 -10.094   0.771
   65    HA   ASP   9           HA       ASP   9  -0.575 -10.075  -1.926
   66    HB2  ASP   9           HB2      ASP   9  -3.118 -10.091  -0.843
   67    HB3  ASP   9           HB1      ASP   9  -2.963  -8.444  -1.351
   68    H    LEU  10           HN       LEU  10  -1.027  -7.690   0.586
   69    HA   LEU  10           HA       LEU  10  -0.471  -5.341  -0.850
   70    HB2  LEU  10           HB2      LEU  10  -1.288  -5.348   1.479
   71    HB3  LEU  10           HB1      LEU  10   0.243  -6.024   1.997
   72    HG   LEU  10           HG       LEU  10   1.380  -3.942   1.247
   73   HD11  LEU  10          HD11      LEU  10  -0.219  -3.138  -0.382
   74   HD12  LEU  10          HD12      LEU  10   0.090  -1.938   0.872
   75   HD13  LEU  10          HD13      LEU  10  -1.393  -2.861   0.919
   76   HD21  LEU  10          HD21      LEU  10   0.806  -4.280   3.605
   77   HD22  LEU  10          HD22      LEU  10  -0.787  -3.572   3.310
   78   HD23  LEU  10          HD23      LEU  10   0.661  -2.582   3.146
   79    H    ARG  11           HN       ARG  11   1.661  -7.630   0.784
   80    HA   ARG  11           HA       ARG  11   4.054  -6.260   0.315
   81    HB2  ARG  11           HB2      ARG  11   3.775  -8.155   1.942
   82    HB3  ARG  11           HB1      ARG  11   3.764  -9.272   0.581
   83    HG2  ARG  11           HG2      ARG  11   6.015  -8.714   0.015
   84    HG3  ARG  11           HG1      ARG  11   6.036  -7.376   1.159
   85    HD2  ARG  11           HD2      ARG  11   7.266  -9.121   2.157
   86    HD3  ARG  11           HD1      ARG  11   5.737  -9.088   3.000
   87    HE   ARG  11           HE       ARG  11   5.914 -10.992   0.821
   88   HH11  ARG  11          HH11      ARG  11   6.093 -10.527   4.359
   89   HH12  ARG  11          HH12      ARG  11   6.258 -12.187   4.720
   90   HH21  ARG  11          HH21      ARG  11   6.246 -13.320   1.352
   91   HH22  ARG  11          HH22      ARG  11   6.351 -13.788   2.989
   92    H    ARG  12           HN       ARG  12   2.286  -8.627  -1.614
   93    HA   ARG  12           HA       ARG  12   4.278  -8.971  -3.578
   94    HB2  ARG  12           HB2      ARG  12   1.279  -9.266  -3.779
   95    HB3  ARG  12           HB1      ARG  12   2.405  -9.703  -5.044
   96    HG2  ARG  12           HG2      ARG  12   3.472 -11.269  -3.448
   97    HG3  ARG  12           HG1      ARG  12   2.153 -10.947  -2.315
   98    HD2  ARG  12           HD2      ARG  12   1.838 -12.036  -5.119
   99    HD3  ARG  12           HD1      ARG  12   1.873 -13.016  -3.659
  100    HE   ARG  12           HE       ARG  12  -0.228 -10.969  -3.778
  101   HH11  ARG  12          HH11      ARG  12   0.623 -14.401  -4.383
  102   HH12  ARG  12          HH12      ARG  12  -1.006 -14.894  -4.371
  103   HH21  ARG  12          HH21      ARG  12  -2.443 -11.729  -3.810
  104   HH22  ARG  12          HH22      ARG  12  -2.752 -13.388  -4.025
  105    H    ALA  13           HN       ALA  13   1.582  -6.716  -3.355
  106    HA   ALA  13           HA       ALA  13   2.020  -5.510  -5.877
  107    HB1  ALA  13           HB1      ALA  13   0.672  -4.358  -3.447
  108    HB2  ALA  13           HB2      ALA  13  -0.118  -5.326  -4.689
  109    HB3  ALA  13           HB3      ALA  13   0.544  -3.743  -5.096
  110    H    LEU  14           HN       LEU  14   3.152  -4.746  -2.635
  111    HA   LEU  14           HA       LEU  14   4.308  -2.239  -3.241
  112    HB2  LEU  14           HB2      LEU  14   3.706  -3.098  -0.958
  113    HB3  LEU  14           HB1      LEU  14   5.066  -4.163  -1.052
  114    HG   LEU  14           HG       LEU  14   6.610  -2.248  -1.099
  115   HD11  LEU  14          HD11      LEU  14   5.801   0.003  -0.586
  116   HD12  LEU  14          HD12      LEU  14   4.140  -0.546  -0.680
  117   HD13  LEU  14          HD13      LEU  14   5.147  -0.563  -2.125
  118   HD21  LEU  14          HD21      LEU  14   4.660  -2.240   1.208
  119   HD22  LEU  14          HD22      LEU  14   6.301  -1.579   1.227
  120   HD23  LEU  14          HD23      LEU  14   6.052  -3.304   1.020
  121    H    VAL  15           HN       VAL  15   5.746  -5.506  -3.044
  122    HA   VAL  15           HA       VAL  15   8.408  -4.797  -3.579
  123    HB   VAL  15           HB       VAL  15   6.975  -7.380  -4.287
  124   HG11  VAL  15          HG11      VAL  15   9.197  -8.416  -4.443
  125   HG12  VAL  15          HG12      VAL  15   9.959  -6.836  -4.228
  126   HG13  VAL  15          HG13      VAL  15   8.967  -7.144  -5.650
  127   HG21  VAL  15          HG21      VAL  15   6.999  -6.906  -1.895
  128   HG22  VAL  15          HG22      VAL  15   8.746  -6.666  -1.938
  129   HG23  VAL  15          HG23      VAL  15   8.057  -8.256  -2.266
  130    H    GLU  16           HN       GLU  16   5.883  -5.866  -5.850
  131    HA   GLU  16           HA       GLU  16   7.362  -5.706  -8.193
  132    HB2  GLU  16           HB2      GLU  16   4.393  -5.484  -7.706
  133    HB3  GLU  16           HB1      GLU  16   5.094  -5.458  -9.322
  134    HG2  GLU  16           HG2      GLU  16   5.474  -7.673  -7.330
  135    HG3  GLU  16           HG1      GLU  16   4.269  -7.657  -8.626
  136    H    SER  17           HN       SER  17   6.301  -3.083  -6.294
  137    HA   SER  17           HA       SER  17   6.067  -1.209  -8.485
  138    HB2  SER  17           HB2      SER  17   6.256  -0.710  -5.517
  139    HB3  SER  17           HB1      SER  17   5.726   0.442  -6.767
  140    HG   SER  17           HG       SER  17   4.430  -2.046  -6.235
  141    H    ALA  18           HN       ALA  18   8.510  -2.223  -6.185
  142    HA   ALA  18           HA       ALA  18  10.298  -0.095  -7.103
  143    HB1  ALA  18           HB1      ALA  18  10.172  -0.424  -4.694
  144    HB2  ALA  18           HB2      ALA  18  11.792  -0.798  -5.286
  145    HB3  ALA  18           HB3      ALA  18  10.672  -2.112  -4.891
  146    H    GLY  19           HN       GLY  19   9.929  -3.575  -6.970
  147    HA2  GLY  19           HA2      GLY  19  10.648  -4.878  -8.838
  148    HA3  GLY  19           HA1      GLY  19  12.051  -3.826  -8.990
  149    H    GLU  20           HN       GLU  20  12.311  -6.519  -8.870
  150    HA   GLU  20           HA       GLU  20  13.042  -7.327  -6.191
  151    HB2  GLU  20           HB2      GLU  20  13.312  -8.674  -8.888
  152    HB3  GLU  20           HB1      GLU  20  13.908  -9.404  -7.403
  153    HG2  GLU  20           HG2      GLU  20  11.719  -9.544  -6.502
  154    HG3  GLU  20           HG1      GLU  20  11.043  -8.578  -7.791
  155    H    THR  21           HN       THR  21  14.547  -5.446  -8.480
  156    HA   THR  21           HA       THR  21  17.109  -5.947  -7.159
  157    HB   THR  21           HB       THR  21  16.802  -5.250 -10.108
  158    HG1  THR  21           HG1      THR  21  16.656  -7.587  -8.802
  159   HG21  THR  21          HG21      THR  21  19.207  -5.991  -8.433
  160   HG22  THR  21          HG22      THR  21  18.864  -4.386  -9.051
  161   HG23  THR  21          HG23      THR  21  19.241  -5.683 -10.179
  162    H    ASP  22           HN       ASP  22  16.431  -4.234  -5.747
  163    HA   ASP  22           HA       ASP  22  17.600  -1.810  -6.652
  164    HB2  ASP  22           HB2      ASP  22  15.306  -1.359  -7.458
  165    HB3  ASP  22           HB1      ASP  22  14.618  -1.539  -5.869
  166    H    GLY  23           HN       GLY  23  15.722  -3.322  -3.960
  167    HA2  GLY  23           HA2      GLY  23  17.613  -3.275  -2.056
  168    HA3  GLY  23           HA1      GLY  23  17.012  -1.617  -2.056
  169    H    THR  24           HN       THR  24  15.366  -4.680  -2.584
  170    HA   THR  24           HA       THR  24  13.112  -3.790  -1.129
  171    HB   THR  24           HB       THR  24  13.505  -6.554  -2.161
  172    HG1  THR  24           HG1      THR  24  12.808  -5.178  -4.287
  173   HG21  THR  24          HG21      THR  24  11.183  -6.178  -2.903
  174   HG22  THR  24          HG22      THR  24  11.285  -4.493  -2.359
  175   HG23  THR  24          HG23      THR  24  11.358  -5.799  -1.185
  176    H    ASP  25           HN       ASP  25  14.151  -3.645   1.029
  177    HA   ASP  25           HA       ASP  25  14.466  -6.287   2.293
  178    HB2  ASP  25           HB2      ASP  25  16.463  -4.735   2.441
  179    HB3  ASP  25           HB1      ASP  25  15.470  -3.628   3.362
  180    H    LEU  26           HN       LEU  26  12.277  -6.551   2.405
  181    HA   LEU  26           HA       LEU  26  10.940  -5.352   4.722
  182    HB2  LEU  26           HB2      LEU  26   8.827  -5.042   3.302
  183    HB3  LEU  26           HB1      LEU  26  10.122  -3.899   3.027
  184    HG   LEU  26           HG       LEU  26  10.745  -5.241   0.966
  185   HD11  LEU  26          HD11      LEU  26   9.045  -6.671  -0.022
  186   HD12  LEU  26          HD12      LEU  26   8.080  -6.552   1.462
  187   HD13  LEU  26          HD13      LEU  26   9.656  -7.343   1.498
  188   HD21  LEU  26          HD21      LEU  26   8.943  -4.310  -0.395
  189   HD22  LEU  26          HD22      LEU  26   9.524  -3.145   0.798
  190   HD23  LEU  26          HD23      LEU  26   7.989  -4.009   1.053
  191    H    SER  27           HN       SER  27  12.212  -7.826   3.998
  192    HA   SER  27           HA       SER  27  10.268  -9.792   3.393
  193    HB2  SER  27           HB2      SER  27  13.027 -10.172   4.544
  194    HB3  SER  27           HB1      SER  27  12.138 -11.264   3.474
  195    HG   SER  27           HG       SER  27  13.245 -10.238   1.947
  196    H    GLY  28           HN       GLY  28   8.694  -9.770   4.935
  197    HA2  GLY  28           HA2      GLY  28   8.106 -11.242   6.823
  198    HA3  GLY  28           HA1      GLY  28   9.510 -10.549   7.637
  199    H    ASP  29           HN       ASP  29   9.265  -8.810   8.796
  200    HA   ASP  29           HA       ASP  29   6.626  -7.682   9.114
  201    HB2  ASP  29           HB2      ASP  29   9.163  -7.531  10.690
  202    HB3  ASP  29           HB1      ASP  29   7.895  -6.336  10.942
  203    H    PHE  30           HN       PHE  30   6.018  -5.913   8.085
  204    HA   PHE  30           HA       PHE  30   7.928  -3.740   7.815
  205    HB2  PHE  30           HB2      PHE  30   7.476  -3.344   5.427
  206    HB3  PHE  30           HB1      PHE  30   8.035  -4.984   5.649
  207    HD1  PHE  30           HD1      PHE  30   6.428  -6.867   5.436
  208    HD2  PHE  30           HD2      PHE  30   5.266  -2.853   4.597
  209    HE1  PHE  30           HE1      PHE  30   4.439  -7.687   4.205
  210    HE2  PHE  30           HE2      PHE  30   3.295  -3.669   3.383
  211    HZ   PHE  30           HZ       PHE  30   2.869  -6.071   3.194
  212    H    LEU  31           HN       LEU  31   5.147  -4.596   9.089
  213    HA   LEU  31           HA       LEU  31   3.442  -2.557   7.952
  214    HB2  LEU  31           HB2      LEU  31   2.956  -4.489  10.193
  215    HB3  LEU  31           HB1      LEU  31   1.786  -3.307   9.640
  216    HG   LEU  31           HG       LEU  31   2.916  -5.573   7.982
  217   HD11  LEU  31          HD11      LEU  31   0.188  -5.166   9.204
  218   HD12  LEU  31          HD12      LEU  31   1.406  -6.332   9.719
  219   HD13  LEU  31          HD13      LEU  31   0.660  -6.485   8.130
  220   HD21  LEU  31          HD21      LEU  31   2.419  -3.656   6.582
  221   HD22  LEU  31          HD22      LEU  31   0.839  -3.476   7.349
  222   HD23  LEU  31          HD23      LEU  31   1.187  -4.889   6.351
  223    H    ASP  32           HN       ASP  32   5.415  -2.841  10.811
  224    HA   ASP  32           HA       ASP  32   4.136  -0.424  11.847
  225    HB2  ASP  32           HB2      ASP  32   4.278  -2.473  13.328
  226    HB3  ASP  32           HB1      ASP  32   6.022  -2.310  13.301
  227    H    LEU  33           HN       LEU  33   6.265  -0.842   9.733
  228    HA   LEU  33           HA       LEU  33   8.228   0.946  10.891
  229    HB2  LEU  33           HB2      LEU  33   9.873   0.116   9.153
  230    HB3  LEU  33           HB1      LEU  33   9.181  -1.128  10.151
  231    HG   LEU  33           HG       LEU  33   7.774  -1.885   8.332
  232   HD11  LEU  33          HD11      LEU  33   9.226   0.155   6.668
  233   HD12  LEU  33          HD12      LEU  33   7.516   0.210   7.078
  234   HD13  LEU  33          HD13      LEU  33   8.132  -1.085   6.060
  235   HD21  LEU  33          HD21      LEU  33  10.694  -1.624   7.721
  236   HD22  LEU  33          HD22      LEU  33   9.612  -2.859   7.052
  237   HD23  LEU  33          HD23      LEU  33   9.954  -2.812   8.788
  238    H    ARG  34           HN       ARG  34   9.028   2.713   9.195
  239    HA   ARG  34           HA       ARG  34   6.526   3.785   8.140
  240    HB2  ARG  34           HB2      ARG  34   9.162   5.187   8.601
  241    HB3  ARG  34           HB1      ARG  34   7.631   5.955   8.175
  242    HG2  ARG  34           HG2      ARG  34   6.667   5.153  10.293
  243    HG3  ARG  34           HG1      ARG  34   8.239   4.478  10.747
  244    HD2  ARG  34           HD2      ARG  34   7.946   6.615  11.815
  245    HD3  ARG  34           HD1      ARG  34   9.181   6.739  10.552
  246    HE   ARG  34           HE       ARG  34   6.393   7.536  10.151
  247   HH11  ARG  34          HH11      ARG  34   9.841   8.297   9.992
  248   HH12  ARG  34          HH12      ARG  34   9.683   9.598   8.897
  249   HH21  ARG  34          HH21      ARG  34   6.135   9.363   8.786
  250   HH22  ARG  34          HH22      ARG  34   7.505  10.230   8.160
  251    H    PHE  35           HN       PHE  35   6.404   4.758   6.054
  252    HA   PHE  35           HA       PHE  35   7.438   3.209   3.951
  253    HB2  PHE  35           HB2      PHE  35   6.361   6.036   3.768
  254    HB3  PHE  35           HB1      PHE  35   6.651   4.975   2.401
  255    HD1  PHE  35           HD2      PHE  35   5.431   2.594   2.627
  256    HD2  PHE  35           HD1      PHE  35   4.268   6.190   4.594
  257    HE1  PHE  35           HE2      PHE  35   3.171   1.702   2.915
  258    HE2  PHE  35           HE1      PHE  35   1.997   5.287   4.882
  259    HZ   PHE  35           HZ       PHE  35   1.432   3.067   3.931
  260    H    GLU  36           HN       GLU  36   8.358   6.466   4.856
  261    HA   GLU  36           HA       GLU  36  10.475   6.750   3.020
  262    HB2  GLU  36           HB2      GLU  36  11.144   8.718   4.463
  263    HB3  GLU  36           HB1      GLU  36   9.464   8.731   3.932
  264    HG2  GLU  36           HG2      GLU  36   8.780   7.867   6.181
  265    HG3  GLU  36           HG1      GLU  36  10.473   7.920   6.658
  266    H    ASP  37           HN       ASP  37  10.309   5.020   5.909
  267    HA   ASP  37           HA       ASP  37  13.100   5.134   6.663
  268    HB2  ASP  37           HB2      ASP  37  11.242   4.818   8.297
  269    HB3  ASP  37           HB1      ASP  37  10.874   3.283   7.557
  270    H    ILE  38           HN       ILE  38  10.995   3.036   4.771
  271    HA   ILE  38           HA       ILE  38  13.186   1.174   4.386
  272    HB   ILE  38           HB       ILE  38  11.503  -0.215   3.039
  273   HG12  ILE  38          HG12      ILE  38   9.509   1.519   4.526
  274   HG13  ILE  38          HG11      ILE  38   9.834   1.684   2.818
  275   HG21  ILE  38          HG21      ILE  38  12.309  -0.830   5.217
  276   HG22  ILE  38          HG22      ILE  38  10.599  -1.220   5.079
  277   HG23  ILE  38          HG23      ILE  38  11.117   0.210   5.990
  278   HD11  ILE  38          HD11      ILE  38   9.024  -0.610   2.455
  279   HD12  ILE  38          HD12      ILE  38   7.809   0.411   3.227
  280   HD13  ILE  38          HD13      ILE  38   8.709  -0.755   4.187
  281    H    GLY  39           HN       GLY  39  12.905   3.865   3.182
  282    HA2  GLY  39           HA2      GLY  39  13.974   4.750   1.311
  283    HA3  GLY  39           HA1      GLY  39  14.182   3.102   0.731
  284    H    TYR  40           HN       TYR  40  11.045   4.549   1.465
  285    HA   TYR  40           HA       TYR  40  10.560   4.523  -1.427
  286    HB2  TYR  40           HB2      TYR  40   8.695   3.951   0.844
  287    HB3  TYR  40           HB1      TYR  40   8.096   4.512  -0.693
  288    HD1  TYR  40           HD2      TYR  40   9.935   1.771   0.943
  289    HD2  TYR  40           HD1      TYR  40   7.871   3.066  -2.534
  290    HE1  TYR  40           HE2      TYR  40   9.884  -0.538   0.143
  291    HE2  TYR  40           HE1      TYR  40   7.807   0.759  -3.364
  292    HH   TYR  40           HH       TYR  40   8.430  -1.871  -1.402
  293    H    ASP  41           HN       ASP  41  10.115   6.306  -2.419
  294    HA   ASP  41           HA       ASP  41   9.390   8.657  -0.838
  295    HB2  ASP  41           HB2      ASP  41   9.792   8.506  -3.873
  296    HB3  ASP  41           HB1      ASP  41   9.605   9.944  -2.893
  297    H    SER  42           HN       SER  42   7.607   9.965  -2.187
  298    HA   SER  42           HA       SER  42   5.208   8.551  -1.969
  299    HB2  SER  42           HB2      SER  42   4.435  10.674  -3.150
  300    HB3  SER  42           HB1      SER  42   5.313  10.906  -1.633
  301    H    LEU  43           HN       LEU  43   7.436   9.120  -4.558
  302    HA   LEU  43           HA       LEU  43   5.813   8.915  -6.836
  303    HB2  LEU  43           HB2      LEU  43   8.177   9.757  -6.684
  304    HB3  LEU  43           HB1      LEU  43   8.723   8.115  -6.574
  305    HG   LEU  43           HG       LEU  43   9.078   9.095  -8.823
  306   HD11  LEU  43          HD11      LEU  43   7.149   6.823  -8.846
  307   HD12  LEU  43          HD12      LEU  43   8.911   6.705  -8.695
  308   HD13  LEU  43          HD13      LEU  43   8.198   7.306 -10.187
  309   HD21  LEU  43          HD21      LEU  43   7.157   9.481 -10.301
  310   HD22  LEU  43          HD22      LEU  43   7.156  10.567  -8.906
  311   HD23  LEU  43          HD23      LEU  43   6.080   9.174  -8.938
  312    H    ALA  44           HN       ALA  44   8.002   6.397  -5.548
  313    HA   ALA  44           HA       ALA  44   6.910   4.332  -7.083
  314    HB1  ALA  44           HB1      ALA  44   9.177   4.257  -6.104
  315    HB2  ALA  44           HB2      ALA  44   8.224   2.837  -5.674
  316    HB3  ALA  44           HB3      ALA  44   8.443   4.129  -4.506
  317    H    LEU  45           HN       LEU  45   5.976   5.722  -4.070
  318    HA   LEU  45           HA       LEU  45   4.481   3.514  -3.151
  319    HB2  LEU  45           HB2      LEU  45   5.417   5.588  -1.867
  320    HB3  LEU  45           HB1      LEU  45   3.927   6.352  -2.373
  321    HG   LEU  45           HG       LEU  45   4.045   3.835  -0.712
  322   HD11  LEU  45          HD11      LEU  45   3.664   6.691   0.112
  323   HD12  LEU  45          HD12      LEU  45   5.070   5.676   0.481
  324   HD13  LEU  45          HD13      LEU  45   3.484   5.293   1.168
  325   HD21  LEU  45          HD21      LEU  45   1.829   5.783  -1.276
  326   HD22  LEU  45          HD22      LEU  45   1.733   4.406  -0.165
  327   HD23  LEU  45          HD23      LEU  45   1.950   4.138  -1.899
  328    H    MET  46           HN       MET  46   3.638   6.441  -5.099
  329    HA   MET  46           HA       MET  46   0.930   5.874  -5.182
  330    HB2  MET  46           HB2      MET  46   2.708   7.222  -7.167
  331    HB3  MET  46           HB1      MET  46   0.994   6.995  -7.461
  332    HG2  MET  46           HG2      MET  46   0.640   8.123  -5.204
  333    HG3  MET  46           HG1      MET  46   2.337   8.581  -5.339
  334    HE1  MET  46           HE1      MET  46  -0.744   9.765  -8.559
  335    HE2  MET  46           HE2      MET  46  -1.151   8.742  -7.189
  336    HE3  MET  46           HE3      MET  46  -0.052   8.151  -8.425
  337    H    GLU  47           HN       GLU  47   3.538   4.444  -7.093
  338    HA   GLU  47           HA       GLU  47   1.776   3.230  -8.918
  339    HB2  GLU  47           HB2      GLU  47   4.683   2.630  -8.314
  340    HB3  GLU  47           HB1      GLU  47   3.783   1.761  -9.555
  341    HG2  GLU  47           HG2      GLU  47   3.303   3.997 -10.621
  342    HG3  GLU  47           HG1      GLU  47   4.412   4.708  -9.452
  343    H    THR  48           HN       THR  48   2.842   2.273  -5.760
  344    HA   THR  48           HA       THR  48   1.927  -0.439  -5.854
  345    HB   THR  48           HB       THR  48   2.151   1.431  -3.474
  346    HG1  THR  48           HG1      THR  48   4.033   0.064  -5.030
  347   HG21  THR  48          HG21      THR  48   2.337  -1.573  -3.697
  348   HG22  THR  48          HG22      THR  48   0.967  -0.673  -3.019
  349   HG23  THR  48          HG23      THR  48   2.551  -0.621  -2.222
  350    H    ALA  49           HN       ALA  49   0.537   2.626  -4.701
  351    HA   ALA  49           HA       ALA  49  -1.880   1.689  -3.676
  352    HB1  ALA  49           HB1      ALA  49  -1.069   3.979  -3.326
  353    HB2  ALA  49           HB2      ALA  49  -2.712   3.974  -3.949
  354    HB3  ALA  49           HB3      ALA  49  -1.360   4.346  -5.025
  355    H    ALA  50           HN       ALA  50  -1.215   2.952  -6.927
  356    HA   ALA  50           HA       ALA  50  -3.819   2.390  -7.947
  357    HB1  ALA  50           HB1      ALA  50  -2.325   4.087  -8.909
  358    HB2  ALA  50           HB2      ALA  50  -2.877   2.918 -10.115
  359    HB3  ALA  50           HB3      ALA  50  -1.252   2.796  -9.452
  360    H    ARG  51           HN       ARG  51  -1.001   0.466  -7.556
  361    HA   ARG  51           HA       ARG  51  -1.587  -1.536  -9.452
  362    HB2  ARG  51           HB2      ARG  51   0.623  -1.251  -8.313
  363    HB3  ARG  51           HB1      ARG  51  -0.131  -1.800  -6.828
  364    HG2  ARG  51           HG2      ARG  51   1.117  -3.599  -7.780
  365    HG3  ARG  51           HG1      ARG  51  -0.615  -3.957  -7.914
  366    HD2  ARG  51           HD2      ARG  51   1.057  -2.785 -10.137
  367    HD3  ARG  51           HD1      ARG  51   0.756  -4.498  -9.927
  368    HE   ARG  51           HE       ARG  51  -1.720  -3.273  -9.962
  369   HH11  ARG  51          HH11      ARG  51   0.994  -3.634 -12.218
  370   HH12  ARG  51          HH12      ARG  51   0.107  -3.415 -13.616
  371   HH21  ARG  51          HH21      ARG  51  -3.007  -2.838 -11.894
  372   HH22  ARG  51          HH22      ARG  51  -2.266  -2.944 -13.430
  373    H    LEU  52           HN       LEU  52  -2.590  -0.976  -6.153
  374    HA   LEU  52           HA       LEU  52  -4.045  -3.454  -6.004
  375    HB2  LEU  52           HB2      LEU  52  -3.924  -1.067  -4.173
  376    HB3  LEU  52           HB1      LEU  52  -4.865  -2.505  -3.836
  377    HG   LEU  52           HG       LEU  52  -1.857  -2.431  -4.127
  378   HD11  LEU  52          HD11      LEU  52  -2.600  -1.310  -2.104
  379   HD12  LEU  52          HD12      LEU  52  -1.855  -2.867  -1.718
  380   HD13  LEU  52          HD13      LEU  52  -3.610  -2.687  -1.689
  381   HD21  LEU  52          HD21      LEU  52  -2.828  -4.556  -4.835
  382   HD22  LEU  52          HD22      LEU  52  -3.742  -4.649  -3.328
  383   HD23  LEU  52          HD23      LEU  52  -1.971  -4.725  -3.295
  384    H    GLU  53           HN       GLU  53  -4.800   0.011  -6.388
  385    HA   GLU  53           HA       GLU  53  -7.547  -0.264  -6.286
  386    HB2  GLU  53           HB2      GLU  53  -5.970   1.817  -7.823
  387    HB3  GLU  53           HB1      GLU  53  -7.699   1.860  -7.495
  388    HG2  GLU  53           HG2      GLU  53  -7.178   1.882  -5.082
  389    HG3  GLU  53           HG1      GLU  53  -5.470   2.073  -5.510
  390    H    SER  54           HN       SER  54  -5.348  -0.739  -9.000
  391    HA   SER  54           HA       SER  54  -7.410  -0.861 -10.930
  392    HB2  SER  54           HB2      SER  54  -5.604  -1.883 -12.377
  393    HB3  SER  54           HB1      SER  54  -5.294  -0.263 -11.736
  394    HG   SER  54           HG       SER  54  -3.806  -1.008 -10.482
  395    H    ARG  55           HN       ARG  55  -6.047  -3.246  -8.810
  396    HA   ARG  55           HA       ARG  55  -7.104  -5.421 -10.416
  397    HB2  ARG  55           HB2      ARG  55  -4.997  -5.677  -9.007
  398    HB3  ARG  55           HB1      ARG  55  -6.044  -5.682  -7.597
  399    HG2  ARG  55           HG2      ARG  55  -7.326  -7.550  -8.965
  400    HG3  ARG  55           HG1      ARG  55  -5.767  -7.692  -9.751
  401    HD2  ARG  55           HD2      ARG  55  -6.314  -7.928  -6.830
  402    HD3  ARG  55           HD1      ARG  55  -6.061  -9.257  -7.939
  403    HE   ARG  55           HE       ARG  55  -3.819  -7.633  -8.112
  404   HH11  ARG  55          HH11      ARG  55  -5.440  -9.790  -5.853
  405   HH12  ARG  55          HH12      ARG  55  -4.128  -9.972  -4.803
  406   HH21  ARG  55          HH21      ARG  55  -1.861  -7.982  -6.651
  407   HH22  ARG  55          HH22      ARG  55  -2.122  -8.976  -5.265
  408    H    TYR  56           HN       TYR  56  -7.917  -3.839  -7.358
  409    HA   TYR  56           HA       TYR  56 -10.212  -5.608  -7.139
  410    HB2  TYR  56           HB2      TYR  56  -8.904  -3.828  -5.069
  411    HB3  TYR  56           HB1      TYR  56 -10.436  -4.661  -4.796
  412    HD1  TYR  56           HD1      TYR  56 -10.512  -7.127  -4.811
  413    HD2  TYR  56           HD2      TYR  56  -6.813  -5.059  -4.937
  414    HE1  TYR  56           HE1      TYR  56  -9.365  -9.186  -4.177
  415    HE2  TYR  56           HE2      TYR  56  -5.629  -7.123  -4.293
  416    HH   TYR  56           HH       TYR  56  -6.049  -9.330  -3.254
  417    H    GLY  57           HN       GLY  57  -9.502  -2.310  -7.899
  418    HA2  GLY  57           HA2      GLY  57 -10.889  -0.748  -8.788
  419    HA3  GLY  57           HA1      GLY  57 -12.261  -1.843  -8.563
  420    H    VAL  58           HN       VAL  58  -9.993   0.165  -6.694
  421    HA   VAL  58           HA       VAL  58 -12.275   0.749  -4.997
  422    HB   VAL  58           HB       VAL  58 -11.058   0.830  -3.016
  423   HG11  VAL  58          HG11      VAL  58  -9.930  -1.320  -2.774
  424   HG12  VAL  58          HG12      VAL  58  -9.932  -1.474  -4.523
  425   HG13  VAL  58          HG13      VAL  58 -11.465  -1.438  -3.646
  426   HG21  VAL  58          HG21      VAL  58  -9.096   2.095  -3.728
  427   HG22  VAL  58          HG22      VAL  58  -8.434   0.632  -4.493
  428   HG23  VAL  58          HG23      VAL  58  -8.662   0.709  -2.735
  429    H    SER  59           HN       SER  59 -11.398   2.904  -3.532
  430    HA   SER  59           HA       SER  59 -10.483   4.828  -5.478
  431    HB2  SER  59           HB2      SER  59 -12.968   4.728  -5.708
  432    HB3  SER  59           HB1      SER  59 -13.126   5.094  -4.006
  433    HG   SER  59           HG       SER  59 -11.601   6.876  -5.526
  434    H    ILE  60           HN       ILE  60  -8.734   5.475  -4.350
  435    HA   ILE  60           HA       ILE  60  -8.954   6.075  -1.505
  436    HB   ILE  60           HB       ILE  60  -6.600   6.387  -3.411
  437   HG12  ILE  60          HG12      ILE  60  -7.192   4.020  -3.119
  438   HG13  ILE  60          HG11      ILE  60  -5.667   4.390  -2.306
  439   HG21  ILE  60          HG21      ILE  60  -6.444   7.905  -1.515
  440   HG22  ILE  60          HG22      ILE  60  -5.236   6.619  -1.381
  441   HG23  ILE  60          HG23      ILE  60  -6.697   6.571  -0.394
  442   HD11  ILE  60          HD11      ILE  60  -6.858   4.469  -0.171
  443   HD12  ILE  60          HD12      ILE  60  -7.038   2.914  -0.966
  444   HD13  ILE  60          HD13      ILE  60  -8.366   4.062  -0.986
  445    HA   PRO  61           HA       PRO  61 -10.093  10.274  -2.741
  446    HB2  PRO  61           HB2      PRO  61 -10.162  10.775   0.154
  447    HB3  PRO  61           HB1      PRO  61 -11.475  10.906  -1.022
  448    HG2  PRO  61           HG2      PRO  61 -11.394   8.976   0.819
  449    HG3  PRO  61           HG1      PRO  61 -12.050   8.685  -0.803
  450    HD2  PRO  61           HD2      PRO  61  -9.376   7.971   0.322
  451    HD3  PRO  61           HD1      PRO  61 -10.461   7.014  -0.723
  452    H    ASP  62           HN       ASP  62  -8.777  11.898  -3.127
  453    HA   ASP  62           HA       ASP  62  -6.099  12.174  -2.809
  454    HB2  ASP  62           HB2      ASP  62  -7.335  13.571  -4.298
  455    HB3  ASP  62           HB1      ASP  62  -8.272  14.248  -2.983
  456    H    ASP  63           HN       ASP  63  -8.428  13.821  -0.776
  457    HA   ASP  63           HA       ASP  63  -6.680  15.020   1.062
  458    HB2  ASP  63           HB2      ASP  63  -8.921  15.773   0.728
  459    HB3  ASP  63           HB1      ASP  63  -9.583  14.240   1.270
  460    H    VAL  64           HN       VAL  64  -8.125  11.850   1.062
  461    HA   VAL  64           HA       VAL  64  -7.383  11.383   3.818
  462    HB   VAL  64           HB       VAL  64  -8.799   9.489   1.915
  463   HG11  VAL  64          HG11      VAL  64  -8.488   9.341   4.920
  464   HG12  VAL  64          HG12      VAL  64  -7.724   8.283   3.747
  465   HG13  VAL  64          HG13      VAL  64  -9.471   8.255   3.946
  466   HG21  VAL  64          HG21      VAL  64  -9.923  11.304   4.047
  467   HG22  VAL  64          HG22      VAL  64 -10.834  10.127   3.095
  468   HG23  VAL  64          HG23      VAL  64 -10.062  11.496   2.288
  469    H    ALA  65           HN       ALA  65  -5.941  10.910   0.788
  470    HA   ALA  65           HA       ALA  65  -4.479   8.514   1.283
  471    HB1  ALA  65           HB1      ALA  65  -3.179   9.128  -0.678
  472    HB2  ALA  65           HB2      ALA  65  -3.818  10.776  -0.624
  473    HB3  ALA  65           HB3      ALA  65  -4.888   9.417  -0.972
  474    H    GLY  66           HN       GLY  66  -3.686  11.891   1.781
  475    HA2  GLY  66           HA2      GLY  66  -1.032  11.216   2.777
  476    HA3  GLY  66           HA1      GLY  66  -1.754  12.815   2.692
  477    H    ARG  67           HN       ARG  67  -3.069   9.967   4.291
  478    HA   ARG  67           HA       ARG  67  -2.775  11.407   6.847
  479    HB2  ARG  67           HB2      ARG  67  -5.128   9.695   6.010
  480    HB3  ARG  67           HB1      ARG  67  -4.900  10.400   7.608
  481    HG2  ARG  67           HG2      ARG  67  -4.975  12.649   6.563
  482    HG3  ARG  67           HG1      ARG  67  -5.285  11.882   5.016
  483    HD2  ARG  67           HD2      ARG  67  -7.333  10.875   5.928
  484    HD3  ARG  67           HD1      ARG  67  -6.993  11.628   7.493
  485    HE   ARG  67           HE       ARG  67  -7.552  13.152   5.039
  486   HH11  ARG  67          HH11      ARG  67  -7.730  12.838   8.575
  487   HH12  ARG  67          HH12      ARG  67  -8.818  14.175   8.710
  488   HH21  ARG  67          HH21      ARG  67  -9.054  14.916   5.329
  489   HH22  ARG  67          HH22      ARG  67  -9.538  15.335   6.932
  490    H    VAL  68           HN       VAL  68  -1.659   8.867   5.222
  491    HA   VAL  68           HA       VAL  68  -1.608   7.073   7.529
  492    HB   VAL  68           HB       VAL  68  -0.755   5.313   5.878
  493   HG11  VAL  68          HG11      VAL  68  -3.461   6.511   5.281
  494   HG12  VAL  68          HG12      VAL  68  -3.096   5.354   6.565
  495   HG13  VAL  68          HG13      VAL  68  -2.920   4.884   4.872
  496   HG21  VAL  68          HG21      VAL  68  -1.605   7.343   3.780
  497   HG22  VAL  68          HG22      VAL  68  -1.076   5.689   3.488
  498   HG23  VAL  68          HG23      VAL  68   0.060   6.870   4.147
  499    H    ASP  69           HN       ASP  69   0.445   6.144   8.253
  500    HA   ASP  69           HA       ASP  69   2.802   7.614   7.231
  501    HB2  ASP  69           HB2      ASP  69   2.080   8.448   9.492
  502    HB3  ASP  69           HB1      ASP  69   2.298   6.822  10.118
  503    H    THR  70           HN       THR  70   1.470   4.676   8.595
  504    HA   THR  70           HA       THR  70   3.879   3.197   7.759
  505    HB   THR  70           HB       THR  70   3.122   1.464   9.432
  506    HG1  THR  70           HG1      THR  70   1.338   3.583  10.094
  507   HG21  THR  70          HG21      THR  70   4.959   2.984   9.917
  508   HG22  THR  70          HG22      THR  70   4.016   2.676  11.374
  509   HG23  THR  70          HG23      THR  70   3.824   4.203  10.496
  510    HA   PRO  71           HA       PRO  71   1.577   0.768   4.760
  511    HB2  PRO  71           HB2      PRO  71   2.880  -1.645   5.982
  512    HB3  PRO  71           HB1      PRO  71   2.834  -1.082   4.306
  513    HG2  PRO  71           HG2      PRO  71   5.024  -0.763   5.741
  514    HG3  PRO  71           HG1      PRO  71   4.471   0.494   4.619
  515    HD2  PRO  71           HD2      PRO  71   4.225   0.379   7.607
  516    HD3  PRO  71           HD1      PRO  71   4.623   1.768   6.575
  517    H    ARG  72           HN       ARG  72   1.519  -0.259   8.116
  518    HA   ARG  72           HA       ARG  72  -0.545  -2.146   8.007
  519    HB2  ARG  72           HB2      ARG  72   0.843  -1.799   9.994
  520    HB3  ARG  72           HB1      ARG  72   0.158  -0.199  10.207
  521    HG2  ARG  72           HG2      ARG  72  -2.053  -1.236  10.638
  522    HG3  ARG  72           HG1      ARG  72  -1.281  -2.832  10.486
  523    HD2  ARG  72           HD2      ARG  72  -1.552  -2.155  12.827
  524    HD3  ARG  72           HD1      ARG  72   0.156  -2.261  12.402
  525    HE   ARG  72           HE       ARG  72  -1.364   0.259  12.527
  526   HH11  ARG  72          HH11      ARG  72   1.577  -1.616  13.284
  527   HH12  ARG  72          HH12      ARG  72   2.429  -0.306  13.939
  528   HH21  ARG  72          HH21      ARG  72  -0.142   2.094  13.413
  529   HH22  ARG  72          HH22      ARG  72   1.454   1.835  13.973
  530    H    GLU  73           HN       GLU  73  -0.555   1.343   8.406
  531    HA   GLU  73           HA       GLU  73  -3.358   1.632   8.785
  532    HB2  GLU  73           HB2      GLU  73  -1.277   3.636   7.937
  533    HB3  GLU  73           HB1      GLU  73  -2.873   4.013   8.559
  534    HG2  GLU  73           HG2      GLU  73  -2.312   3.039  10.685
  535    HG3  GLU  73           HG1      GLU  73  -0.738   2.536  10.062
  536    H    LEU  74           HN       LEU  74  -1.150   1.878   6.076
  537    HA   LEU  74           HA       LEU  74  -2.971   2.923   4.166
  538    HB2  LEU  74           HB2      LEU  74  -0.394   2.569   4.032
  539    HB3  LEU  74           HB1      LEU  74  -0.772   0.966   3.474
  540    HG   LEU  74           HG       LEU  74  -1.544   3.526   2.071
  541   HD11  LEU  74          HD11      LEU  74   0.063   2.852   0.365
  542   HD12  LEU  74          HD12      LEU  74   0.556   1.494   1.391
  543   HD13  LEU  74          HD13      LEU  74   0.817   3.148   1.929
  544   HD21  LEU  74          HD21      LEU  74  -1.860   0.668   1.123
  545   HD22  LEU  74          HD22      LEU  74  -2.236   2.134   0.202
  546   HD23  LEU  74          HD23      LEU  74  -3.142   1.743   1.660
  547    H    LEU  75           HN       LEU  75  -2.108  -0.407   4.999
  548    HA   LEU  75           HA       LEU  75  -3.855  -1.710   3.212
  549    HB2  LEU  75           HB2      LEU  75  -1.988  -2.783   4.417
  550    HB3  LEU  75           HB1      LEU  75  -2.854  -2.580   5.923
  551    HG   LEU  75           HG       LEU  75  -4.643  -4.102   4.986
  552   HD11  LEU  75          HD11      LEU  75  -4.119  -3.811   2.579
  553   HD12  LEU  75          HD12      LEU  75  -4.066  -5.500   3.095
  554   HD13  LEU  75          HD13      LEU  75  -2.562  -4.607   2.886
  555   HD21  LEU  75          HD21      LEU  75  -2.959  -4.878   6.545
  556   HD22  LEU  75          HD22      LEU  75  -1.860  -5.206   5.181
  557   HD23  LEU  75          HD23      LEU  75  -3.349  -6.141   5.364
  558    H    ASP  76           HN       ASP  76  -4.211  -0.890   6.644
  559    HA   ASP  76           HA       ASP  76  -6.800  -1.884   7.023
  560    HB2  ASP  76           HB2      ASP  76  -5.265  -1.385   8.865
  561    HB3  ASP  76           HB1      ASP  76  -5.372   0.329   8.513
  562    H    LEU  77           HN       LEU  77  -5.721   1.320   5.997
  563    HA   LEU  77           HA       LEU  77  -8.243   2.577   6.103
  564    HB2  LEU  77           HB2      LEU  77  -6.082   3.771   5.930
  565    HB3  LEU  77           HB1      LEU  77  -5.925   3.233   4.272
  566    HG   LEU  77           HG       LEU  77  -8.019   4.491   3.759
  567   HD11  LEU  77          HD11      LEU  77  -8.945   4.515   5.981
  568   HD12  LEU  77          HD12      LEU  77  -8.755   6.169   5.389
  569   HD13  LEU  77          HD13      LEU  77  -7.607   5.499   6.564
  570   HD21  LEU  77          HD21      LEU  77  -6.904   6.682   3.788
  571   HD22  LEU  77          HD22      LEU  77  -5.806   5.397   3.279
  572   HD23  LEU  77          HD23      LEU  77  -5.696   6.044   4.912
  573    H    ILE  78           HN       ILE  78  -6.611   0.712   3.584
  574    HA   ILE  78           HA       ILE  78  -8.630   1.225   1.605
  575    HB   ILE  78           HB       ILE  78  -6.507  -0.936   1.728
  576   HG12  ILE  78          HG12      ILE  78  -6.737   1.646   0.149
  577   HG13  ILE  78          HG11      ILE  78  -5.553   1.256   1.399
  578   HG21  ILE  78          HG21      ILE  78  -8.413  -0.305  -0.545
  579   HG22  ILE  78          HG22      ILE  78  -8.389  -1.780   0.431
  580   HG23  ILE  78          HG23      ILE  78  -7.048  -1.422  -0.663
  581   HD11  ILE  78          HD11      ILE  78  -4.540  -0.409  -0.114
  582   HD12  ILE  78          HD12      ILE  78  -4.562   1.228  -0.791
  583   HD13  ILE  78          HD13      ILE  78  -5.725   0.038  -1.351
  584    H    ASN  79           HN       ASN  79  -8.019  -1.310   3.938
  585    HA   ASN  79           HA       ASN  79 -10.123  -3.029   3.218
  586    HB2  ASN  79           HB2      ASN  79  -8.966  -2.515   5.970
  587    HB3  ASN  79           HB1      ASN  79 -10.106  -3.787   5.608
  588   HD21  ASN  79          HD21      ASN  79  -8.780  -4.358   2.971
  589   HD22  ASN  79          HD22      ASN  79  -7.325  -5.177   3.417
  590    H    GLY  80           HN       GLY  80 -10.039  -0.264   5.392
  591    HA2  GLY  80           HA2      GLY  80 -12.732  -0.324   6.218
  592    HA3  GLY  80           HA1      GLY  80 -11.696   1.095   6.208
  593    H    ALA  81           HN       ALA  81 -11.173   1.274   3.400
  594    HA   ALA  81           HA       ALA  81 -13.497   2.626   2.624
  595    HB1  ALA  81           HB1      ALA  81 -11.269   3.347   1.945
  596    HB2  ALA  81           HB2      ALA  81 -12.289   3.048   0.532
  597    HB3  ALA  81           HB3      ALA  81 -11.066   1.867   1.008
  598    H    LEU  82           HN       LEU  82 -12.212  -0.523   1.940
  599    HA   LEU  82           HA       LEU  82 -13.934  -1.350  -0.103
  600    HB2  LEU  82           HB2      LEU  82 -12.698  -2.965   2.142
  601    HB3  LEU  82           HB1      LEU  82 -13.554  -3.670   0.798
  602    HG   LEU  82           HG       LEU  82 -11.012  -2.046   0.524
  603   HD11  LEU  82          HD11      LEU  82 -10.662  -4.156   1.700
  604   HD12  LEU  82          HD12      LEU  82  -9.938  -4.175   0.092
  605   HD13  LEU  82          HD13      LEU  82 -11.451  -5.024   0.387
  606   HD21  LEU  82          HD21      LEU  82 -11.024  -2.925  -1.760
  607   HD22  LEU  82          HD22      LEU  82 -12.464  -1.972  -1.435
  608   HD23  LEU  82          HD23      LEU  82 -12.559  -3.730  -1.458
  609    H    ALA  83           HN       ALA  83 -14.320  -1.412   3.403
  610    HA   ALA  83           HA       ALA  83 -16.823  -2.740   3.424
  611    HB1  ALA  83           HB1      ALA  83 -16.972  -2.092   5.754
  612    HB2  ALA  83           HB2      ALA  83 -15.636  -0.954   5.555
  613    HB3  ALA  83           HB3      ALA  83 -15.347  -2.690   5.391
  614    H    GLU  84           HN       GLU  84 -15.902   0.621   3.163
  615    HA   GLU  84           HA       GLU  84 -18.591   1.544   3.500
  616    HB2  GLU  84           HB2      GLU  84 -16.095   2.982   2.583
  617    HB3  GLU  84           HB1      GLU  84 -17.669   3.763   2.648
  618    HG2  GLU  84           HG2      GLU  84 -17.802   3.292   5.039
  619    HG3  GLU  84           HG1      GLU  84 -16.227   2.497   4.965
  620    H    ALA  85           HN       ALA  85 -16.917   0.168   0.925
  621    HA   ALA  85           HA       ALA  85 -18.638   1.359  -1.088
  622    HB1  ALA  85           HB1      ALA  85 -16.453  -0.730  -1.375
  623    HB2  ALA  85           HB2      ALA  85 -16.295   1.005  -1.679
  624    HB3  ALA  85           HB3      ALA  85 -17.337   0.027  -2.700
  625    H    ALA  86           HN       ALA  86 -17.851  -1.850   0.200
  626    HA   ALA  86           HA       ALA  86 -18.986  -3.670   0.658
  627    HB1  ALA  86           HB1      ALA  86 -21.565  -2.362  -0.240
  628    HB2  ALA  86           HB2      ALA  86 -20.907  -2.283   1.385
  629    HB3  ALA  86           HB3      ALA  86 -21.388  -3.844   0.711
  630   H28A  SXR 101          H28A      SXR  42   5.944  11.691  -6.331
  631   H28B  SXR 101          H28B      SXR  42   4.561  10.814  -5.655
  632   H30A  SXR 101          H30A      SXR  42   2.881  11.168  -8.265
  633   H30B  SXR 101          H30B      SXR  42   4.478  10.534  -7.863
  634   H30C  SXR 101          H30C      SXR  42   4.316  11.876  -9.004
  635   H31A  SXR 101          H31A      SXR  42   1.894  12.719  -7.139
  636   H31B  SXR 101          H31B      SXR  42   2.654  13.520  -5.724
  637   H31C  SXR 101          H31C      SXR  42   2.396  11.772  -5.741
  638   H32A  SXR 101          H32A      SXR  42   5.571  13.567  -8.037
  639   H33A  SXR 101          H33A      SXR  42   4.840  14.145  -5.625
  640   H36A  SXR 101          H36A      SXR  42   4.909  14.127  -9.993
  641   H37A  SXR 101          H37A      SXR  42   2.461  15.764 -10.335
  642   H37B  SXR 101          H37B      SXR  42   3.914  15.899 -11.312
  643   H38A  SXR 101          H38A      SXR  42   2.213  14.801 -12.591
  644   H38B  SXR 101          H38B      SXR  42   3.490  13.642 -12.212
  645   H41A  SXR 101          H41A      SXR  42   1.576  14.247  -9.483
  646   H42A  SXR 101          H42A      SXR  42  -0.096  11.873  -9.908
  647   H42B  SXR 101          H42B      SXR  42   0.717  12.235  -8.393
  648   H43A  SXR 101          H43A      SXR  42  -1.389  14.008  -9.662
  649   H43B  SXR 101          H43B      SXR  42  -0.777  14.162  -7.994
  650   H11A  SXR 101          H11A      SXR  42  -1.625   8.522  -1.906
  651   H10A  SXR 101          H10A      SXR  42  -0.436   6.847  -0.536
  652    H9A  SXR 101           H9A      SXR  42   1.732   7.420   0.520
  653    H8A  SXR 101           H8A      SXR  42   2.696   9.673   0.177
  654    H7A  SXR 101           H7A      SXR  42   1.497  11.339  -1.191
  655    H5A  SXR 101           H5A      SXR  42  -1.469  11.878  -2.125
  656    H5B  SXR 101           H5B      SXR  42   0.032  11.696  -2.379
  657    H4A  SXR 101           H4A      SXR  42  -0.271  10.455  -4.621
  658    H4B  SXR 101           H4B      SXR  42  -0.966   9.589  -3.573
  659    H2A  SXR 101           H2A      SXR  42  -2.753  10.273  -6.602
  660    H2B  SXR 101           H2B      SXR  42  -3.673  11.151  -5.823
  661    H1A  SXR 101           H1A      SXR  42  -1.727  13.280  -6.099
  662    H1B  SXR 101           H1B      SXR  42  -1.002  11.963  -6.372
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1 -19.481  -6.092  -1.894
    2    H2   MET   1           HT2      MET   1 -20.902  -6.935  -2.204
    3    H3   MET   1           HT3      MET   1 -19.378  -7.635  -2.570
    4    HA   MET   1           HA       MET   1 -20.246  -6.762   0.113
    5    HB2  MET   1           HB2      MET   1 -21.358  -8.903  -1.070
    6    HB3  MET   1           HB1      MET   1 -19.861  -9.662  -0.555
    7    HG2  MET   1           HG2      MET   1 -21.595 -10.013   1.091
    8    HG3  MET   1           HG1      MET   1 -20.279  -9.042   1.749
    9    HE1  MET   1           HE1      MET   1 -21.885  -8.329   3.758
   10    HE2  MET   1           HE2      MET   1 -23.269  -9.222   3.088
   11    HE3  MET   1           HE3      MET   1 -23.439  -7.523   3.545
   12    H    ALA   2           HN       ALA   2 -18.673  -8.617   1.546
   13    HA   ALA   2           HA       ALA   2 -16.224  -7.365   1.639
   14    HB1  ALA   2           HB1      ALA   2 -16.831 -10.159   2.590
   15    HB2  ALA   2           HB2      ALA   2 -17.184  -8.677   3.474
   16    HB3  ALA   2           HB3      ALA   2 -15.515  -9.122   3.126
   17    H    THR   3           HN       THR   3 -14.459  -7.435   0.474
   18    HA   THR   3           HA       THR   3 -13.448  -9.882  -0.624
   19    HB   THR   3           HB       THR   3 -13.826  -7.410  -2.389
   20    HG1  THR   3           HG1      THR   3 -15.480  -9.461  -1.826
   21   HG21  THR   3          HG21      THR   3 -13.040  -8.902  -4.215
   22   HG22  THR   3          HG22      THR   3 -12.807 -10.200  -3.044
   23   HG23  THR   3          HG23      THR   3 -11.829  -8.724  -2.953
   24    H    LEU   4           HN       LEU   4 -12.099  -9.381   1.223
   25    HA   LEU   4           HA       LEU   4 -10.547  -6.916   1.157
   26    HB2  LEU   4           HB2      LEU   4 -10.944  -9.029   3.253
   27    HB3  LEU   4           HB1      LEU   4  -9.691  -7.828   3.389
   28    HG   LEU   4           HG       LEU   4 -11.432  -6.046   3.420
   29   HD11  LEU   4          HD11      LEU   4 -13.215  -7.150   2.230
   30   HD12  LEU   4          HD12      LEU   4 -13.756  -6.609   3.817
   31   HD13  LEU   4          HD13      LEU   4 -13.394  -8.320   3.539
   32   HD21  LEU   4          HD21      LEU   4 -11.738  -8.184   5.521
   33   HD22  LEU   4          HD22      LEU   4 -12.217  -6.498   5.695
   34   HD23  LEU   4          HD23      LEU   4 -10.517  -6.912   5.492
   35    H    LEU   5           HN       LEU   5  -8.385  -6.807   1.179
   36    HA   LEU   5           HA       LEU   5  -6.965  -9.122   0.121
   37    HB2  LEU   5           HB2      LEU   5  -5.070  -7.410  -0.227
   38    HB3  LEU   5           HB1      LEU   5  -6.423  -7.398  -1.339
   39    HG   LEU   5           HG       LEU   5  -6.406  -5.484   0.988
   40   HD11  LEU   5          HD11      LEU   5  -5.165  -3.883  -0.421
   41   HD12  LEU   5          HD12      LEU   5  -4.911  -5.115  -1.642
   42   HD13  LEU   5          HD13      LEU   5  -4.150  -5.271  -0.051
   43   HD21  LEU   5          HD21      LEU   5  -8.362  -5.689  -0.507
   44   HD22  LEU   5          HD22      LEU   5  -7.320  -5.339  -1.875
   45   HD23  LEU   5          HD23      LEU   5  -7.585  -4.106  -0.639
   46    H    THR   6           HN       THR   6  -4.641  -9.390   0.867
   47    HA   THR   6           HA       THR   6  -4.726  -9.277   3.784
   48    HB   THR   6           HB       THR   6  -3.150 -11.162   3.727
   49    HG1  THR   6           HG1      THR   6  -3.295 -12.087   1.302
   50   HG21  THR   6          HG21      THR   6  -5.630 -11.623   2.051
   51   HG22  THR   6          HG22      THR   6  -5.573 -11.640   3.815
   52   HG23  THR   6          HG23      THR   6  -4.710 -12.867   2.893
   53    H    THR   7           HN       THR   7  -2.305  -9.521   4.648
   54    HA   THR   7           HA       THR   7  -0.842  -7.246   3.923
   55    HB   THR   7           HB       THR   7   0.167  -9.603   5.499
   56    HG1  THR   7           HG1      THR   7  -1.068  -8.078   7.188
   57   HG21  THR   7          HG21      THR   7   0.428  -6.605   5.862
   58   HG22  THR   7          HG22      THR   7   1.674  -7.643   5.187
   59   HG23  THR   7          HG23      THR   7   1.192  -7.831   6.875
   60    H    ASP   8           HN       ASP   8  -0.943 -10.532   2.873
   61    HA   ASP   8           HA       ASP   8   1.701 -10.682   1.786
   62    HB2  ASP   8           HB2      ASP   8   0.647 -12.758   2.342
   63    HB3  ASP   8           HB1      ASP   8  -0.767 -12.361   1.371
   64    H    ASP   9           HN       ASP   9  -1.496 -10.055   0.579
   65    HA   ASP   9           HA       ASP   9  -0.888  -9.710  -2.131
   66    HB2  ASP   9           HB2      ASP   9  -3.179  -9.839  -0.927
   67    HB3  ASP   9           HB1      ASP   9  -2.945  -8.137  -0.592
   68    H    LEU  10           HN       LEU  10  -1.139  -7.411   0.509
   69    HA   LEU  10           HA       LEU  10  -0.319  -5.033  -0.652
   70    HB2  LEU  10           HB2      LEU  10  -1.279  -5.286   1.618
   71    HB3  LEU  10           HB1      LEU  10   0.216  -6.032   2.139
   72    HG   LEU  10           HG       LEU  10   1.391  -3.887   1.729
   73   HD11  LEU  10          HD11      LEU  10  -1.400  -2.856   1.240
   74   HD12  LEU  10          HD12      LEU  10  -0.114  -2.967   0.035
   75   HD13  LEU  10          HD13      LEU  10   0.044  -1.852   1.388
   76   HD21  LEU  10          HD21      LEU  10   0.580  -4.464   3.959
   77   HD22  LEU  10          HD22      LEU  10  -0.987  -3.755   3.592
   78   HD23  LEU  10          HD23      LEU  10   0.451  -2.726   3.683
   79    H    ARG  11           HN       ARG  11   1.763  -7.445   1.032
   80    HA   ARG  11           HA       ARG  11   4.128  -5.970   0.748
   81    HB2  ARG  11           HB2      ARG  11   5.385  -7.969   1.378
   82    HB3  ARG  11           HB1      ARG  11   3.973  -7.768   2.412
   83    HG2  ARG  11           HG2      ARG  11   2.827  -9.508   1.093
   84    HG3  ARG  11           HG1      ARG  11   4.270  -9.700   0.112
   85    HD2  ARG  11           HD2      ARG  11   5.520 -10.389   2.117
   86    HD3  ARG  11           HD1      ARG  11   4.054 -10.217   3.078
   87    HE   ARG  11           HE       ARG  11   3.462 -11.894   0.918
   88   HH11  ARG  11          HH11      ARG  11   5.391 -12.199   3.940
   89   HH12  ARG  11          HH12      ARG  11   5.213 -13.894   3.953
   90   HH21  ARG  11          HH21      ARG  11   3.237 -14.028   1.038
   91   HH22  ARG  11          HH22      ARG  11   3.923 -15.024   2.275
   92    H    ARG  12           HN       ARG  12   2.698  -8.331  -1.414
   93    HA   ARG  12           HA       ARG  12   4.959  -8.617  -3.092
   94    HB2  ARG  12           HB2      ARG  12   2.049  -8.929  -3.827
   95    HB3  ARG  12           HB1      ARG  12   3.412  -9.489  -4.768
   96    HG2  ARG  12           HG2      ARG  12   4.005 -11.017  -2.940
   97    HG3  ARG  12           HG1      ARG  12   2.557 -10.504  -2.076
   98    HD2  ARG  12           HD2      ARG  12   1.270 -11.150  -4.154
   99    HD3  ARG  12           HD1      ARG  12   2.740 -11.938  -4.708
  100    HE   ARG  12           HE       ARG  12   1.697 -12.696  -2.093
  101   HH11  ARG  12          HH11      ARG  12   2.451 -13.625  -5.417
  102   HH12  ARG  12          HH12      ARG  12   1.833 -15.203  -5.288
  103   HH21  ARG  12          HH21      ARG  12   0.819 -14.781  -1.902
  104   HH22  ARG  12          HH22      ARG  12   0.853 -15.909  -3.222
  105    H    ALA  13           HN       ALA  13   1.988  -6.721  -3.525
  106    HA   ALA  13           HA       ALA  13   2.702  -5.485  -5.903
  107    HB1  ALA  13           HB1      ALA  13   0.895  -4.391  -3.758
  108    HB2  ALA  13           HB2      ALA  13   0.428  -5.536  -5.025
  109    HB3  ALA  13           HB3      ALA  13   0.920  -3.900  -5.453
  110    H    LEU  14           HN       LEU  14   3.463  -4.595  -2.618
  111    HA   LEU  14           HA       LEU  14   4.420  -1.995  -3.081
  112    HB2  LEU  14           HB2      LEU  14   3.873  -3.086  -0.857
  113    HB3  LEU  14           HB1      LEU  14   5.383  -3.967  -1.017
  114    HG   LEU  14           HG       LEU  14   6.595  -1.768  -0.958
  115   HD11  LEU  14          HD11      LEU  14   5.387   0.210  -0.119
  116   HD12  LEU  14          HD12      LEU  14   3.879  -0.678  -0.231
  117   HD13  LEU  14          HD13      LEU  14   4.766  -0.292  -1.692
  118   HD21  LEU  14          HD21      LEU  14   6.380  -3.158   1.047
  119   HD22  LEU  14          HD22      LEU  14   4.832  -2.396   1.397
  120   HD23  LEU  14          HD23      LEU  14   6.306  -1.441   1.452
  121    H    VAL  15           HN       VAL  15   6.055  -5.148  -3.024
  122    HA   VAL  15           HA       VAL  15   8.626  -4.084  -3.600
  123    HB   VAL  15           HB       VAL  15   7.620  -6.945  -3.748
  124   HG11  VAL  15          HG11      VAL  15   9.992  -7.621  -3.727
  125   HG12  VAL  15          HG12      VAL  15  10.474  -5.933  -3.841
  126   HG13  VAL  15          HG13      VAL  15   9.593  -6.687  -5.168
  127   HG21  VAL  15          HG21      VAL  15   7.549  -5.982  -1.511
  128   HG22  VAL  15          HG22      VAL  15   9.229  -5.499  -1.646
  129   HG23  VAL  15          HG23      VAL  15   8.797  -7.223  -1.616
  130    H    GLU  16           HN       GLU  16   6.065  -5.477  -5.536
  131    HA   GLU  16           HA       GLU  16   7.519  -5.630  -7.967
  132    HB2  GLU  16           HB2      GLU  16   4.535  -5.503  -7.481
  133    HB3  GLU  16           HB1      GLU  16   5.274  -5.963  -9.009
  134    HG2  GLU  16           HG2      GLU  16   6.334  -7.886  -7.935
  135    HG3  GLU  16           HG1      GLU  16   5.678  -7.410  -6.386
  136    H    SER  17           HN       SER  17   6.149  -3.003  -6.297
  137    HA   SER  17           HA       SER  17   6.375  -1.283  -8.678
  138    HB2  SER  17           HB2      SER  17   5.055  -0.667  -6.024
  139    HB3  SER  17           HB1      SER  17   4.940   0.268  -7.532
  140    HG   SER  17           HG       SER  17   3.872  -2.242  -6.875
  141    H    ALA  18           HN       ALA  18   8.423  -2.375  -6.475
  142    HA   ALA  18           HA       ALA  18   9.349   0.024  -5.236
  143    HB1  ALA  18           HB1      ALA  18  10.745  -2.645  -5.445
  144    HB2  ALA  18           HB2      ALA  18   9.646  -2.134  -4.159
  145    HB3  ALA  18           HB3      ALA  18  11.195  -1.322  -4.366
  146    H    GLY  19           HN       GLY  19  10.468  -1.943  -7.943
  147    HA2  GLY  19           HA2      GLY  19  11.264  -0.823  -9.906
  148    HA3  GLY  19           HA1      GLY  19  11.874   0.467  -8.901
  149    H    GLU  20           HN       GLU  20  13.895   0.410  -9.713
  150    HA   GLU  20           HA       GLU  20  15.401  -2.113  -9.795
  151    HB2  GLU  20           HB2      GLU  20  16.061   0.547 -11.032
  152    HB3  GLU  20           HB1      GLU  20  16.828  -0.993 -11.365
  153    HG2  GLU  20           HG2      GLU  20  14.743  -1.821 -12.337
  154    HG3  GLU  20           HG1      GLU  20  13.988  -0.262 -12.001
  155    H    THR  21           HN       THR  21  15.036  -0.713  -7.265
  156    HA   THR  21           HA       THR  21  17.520   0.646  -6.774
  157    HB   THR  21           HB       THR  21  16.511   0.392  -4.314
  158    HG1  THR  21           HG1      THR  21  14.026   0.546  -5.056
  159   HG21  THR  21          HG21      THR  21  16.764   2.533  -5.516
  160   HG22  THR  21          HG22      THR  21  15.212   2.459  -4.681
  161   HG23  THR  21          HG23      THR  21  15.290   2.186  -6.421
  162    H    ASP  22           HN       ASP  22  18.329  -0.334  -4.201
  163    HA   ASP  22           HA       ASP  22  19.465  -2.799  -5.124
  164    HB2  ASP  22           HB2      ASP  22  21.012  -2.638  -3.234
  165    HB3  ASP  22           HB1      ASP  22  20.994  -1.173  -4.183
  166    H    GLY  23           HN       GLY  23  16.940  -1.813  -3.137
  167    HA2  GLY  23           HA2      GLY  23  15.246  -3.540  -2.937
  168    HA3  GLY  23           HA1      GLY  23  16.532  -4.661  -2.549
  169    H    THR  24           HN       THR  24  14.364  -4.607  -1.074
  170    HA   THR  24           HA       THR  24  15.393  -3.958   1.501
  171    HB   THR  24           HB       THR  24  14.107  -1.893   0.942
  172    HG1  THR  24           HG1      THR  24  12.763  -1.893   2.730
  173   HG21  THR  24          HG21      THR  24  11.658  -1.970   0.571
  174   HG22  THR  24          HG22      THR  24  11.730  -3.733   0.533
  175   HG23  THR  24          HG23      THR  24  12.533  -2.792  -0.721
  176    H    ASP  25           HN       ASP  25  14.158  -5.285   3.104
  177    HA   ASP  25           HA       ASP  25  12.798  -7.491   1.731
  178    HB2  ASP  25           HB2      ASP  25  14.774  -7.684   4.034
  179    HB3  ASP  25           HB1      ASP  25  13.744  -9.007   3.530
  180    H    LEU  26           HN       LEU  26  10.893  -8.073   2.509
  181    HA   LEU  26           HA       LEU  26   9.926  -6.502   4.768
  182    HB2  LEU  26           HB2      LEU  26   8.577  -7.644   2.361
  183    HB3  LEU  26           HB1      LEU  26   7.644  -7.325   3.795
  184    HG   LEU  26           HG       LEU  26   8.113  -4.950   3.626
  185   HD11  LEU  26          HD11      LEU  26   9.242  -3.982   1.734
  186   HD12  LEU  26          HD12      LEU  26   9.637  -5.576   1.097
  187   HD13  LEU  26          HD13      LEU  26  10.350  -5.028   2.625
  188   HD21  LEU  26          HD21      LEU  26   7.161  -6.159   1.046
  189   HD22  LEU  26          HD22      LEU  26   6.879  -4.492   1.573
  190   HD23  LEU  26          HD23      LEU  26   6.196  -5.842   2.484
  191    H    SER  27           HN       SER  27   9.088  -9.598   3.266
  192    HA   SER  27           HA       SER  27   8.357 -11.582   4.016
  193    HB2  SER  27           HB2      SER  27  10.531 -11.698   5.239
  194    HB3  SER  27           HB1      SER  27   9.794 -10.894   6.622
  195    HG   SER  27           HG       SER  27   9.946 -13.430   6.380
  196    H    GLY  28           HN       GLY  28   8.085  -9.371   6.729
  197    HA2  GLY  28           HA2      GLY  28   5.218  -9.363   6.689
  198    HA3  GLY  28           HA1      GLY  28   5.859 -10.288   8.046
  199    H    ASP  29           HN       ASP  29   8.155  -8.769   8.599
  200    HA   ASP  29           HA       ASP  29   7.101  -6.652  10.138
  201    HB2  ASP  29           HB2      ASP  29   9.975  -7.238   9.367
  202    HB3  ASP  29           HB1      ASP  29   9.464  -6.135  10.632
  203    H    PHE  30           HN       PHE  30   6.131  -5.160   8.855
  204    HA   PHE  30           HA       PHE  30   7.723  -3.098   7.905
  205    HB2  PHE  30           HB2      PHE  30   7.353  -2.970   5.639
  206    HB3  PHE  30           HB1      PHE  30   7.904  -4.604   5.873
  207    HD1  PHE  30           HD1      PHE  30   6.147  -6.468   6.037
  208    HD2  PHE  30           HD2      PHE  30   5.285  -2.635   4.431
  209    HE1  PHE  30           HE1      PHE  30   4.172  -7.404   4.902
  210    HE2  PHE  30           HE2      PHE  30   3.308  -3.548   3.301
  211    HZ   PHE  30           HZ       PHE  30   2.743  -5.936   3.536
  212    H    LEU  31           HN       LEU  31   4.666  -4.524   8.478
  213    HA   LEU  31           HA       LEU  31   3.003  -2.353   7.954
  214    HB2  LEU  31           HB2      LEU  31   2.824  -4.351  10.200
  215    HB3  LEU  31           HB1      LEU  31   1.563  -3.205   9.790
  216    HG   LEU  31           HG       LEU  31   2.586  -5.402   8.005
  217   HD11  LEU  31          HD11      LEU  31   0.023  -5.113   9.561
  218   HD12  LEU  31          HD12      LEU  31   1.319  -6.244   9.923
  219   HD13  LEU  31          HD13      LEU  31   0.384  -6.412   8.425
  220   HD21  LEU  31          HD21      LEU  31   0.288  -3.471   7.653
  221   HD22  LEU  31          HD22      LEU  31   0.681  -4.809   6.574
  222   HD23  LEU  31          HD23      LEU  31   1.797  -3.451   6.739
  223    H    ASP  32           HN       ASP  32   5.044  -3.066  10.717
  224    HA   ASP  32           HA       ASP  32   4.392  -0.560  12.029
  225    HB2  ASP  32           HB2      ASP  32   5.918  -3.016  12.811
  226    HB3  ASP  32           HB1      ASP  32   6.171  -1.518  13.698
  227    H    LEU  33           HN       LEU  33   5.939  -0.785   9.475
  228    HA   LEU  33           HA       LEU  33   8.398   0.573  10.317
  229    HB2  LEU  33           HB2      LEU  33   7.733  -0.954   7.813
  230    HB3  LEU  33           HB1      LEU  33   9.163   0.037   7.906
  231    HG   LEU  33           HG       LEU  33   8.561  -2.471   9.454
  232   HD11  LEU  33          HD11      LEU  33  10.553  -3.300   8.313
  233   HD12  LEU  33          HD12      LEU  33  10.742  -1.765   7.492
  234   HD13  LEU  33          HD13      LEU  33   9.344  -2.780   7.145
  235   HD21  LEU  33          HD21      LEU  33  10.757  -2.213  10.423
  236   HD22  LEU  33          HD22      LEU  33   9.647  -0.916  10.925
  237   HD23  LEU  33          HD23      LEU  33  10.885  -0.613   9.668
  238    H    ARG  34           HN       ARG  34   9.084   2.279   8.773
  239    HA   ARG  34           HA       ARG  34   6.789   4.011   8.173
  240    HB2  ARG  34           HB2      ARG  34   9.747   4.613   8.239
  241    HB3  ARG  34           HB1      ARG  34   8.453   5.786   8.057
  242    HG2  ARG  34           HG2      ARG  34   7.718   5.400  10.287
  243    HG3  ARG  34           HG1      ARG  34   8.881   4.082  10.487
  244    HD2  ARG  34           HD2      ARG  34  10.703   5.601  10.224
  245    HD3  ARG  34           HD1      ARG  34   9.612   6.944   9.874
  246    HE   ARG  34           HE       ARG  34   9.195   5.703  12.439
  247   HH11  ARG  34          HH11      ARG  34  11.116   8.113  10.707
  248   HH12  ARG  34          HH12      ARG  34  11.268   9.140  12.062
  249   HH21  ARG  34          HH21      ARG  34   9.487   7.006  14.255
  250   HH22  ARG  34          HH22      ARG  34  10.373   8.479  14.168
  251    H    PHE  35           HN       PHE  35   6.852   5.193   6.136
  252    HA   PHE  35           HA       PHE  35   7.530   3.465   3.971
  253    HB2  PHE  35           HB2      PHE  35   6.454   6.272   4.000
  254    HB3  PHE  35           HB1      PHE  35   6.768   5.371   2.514
  255    HD1  PHE  35           HD2      PHE  35   5.594   3.092   2.269
  256    HD2  PHE  35           HD1      PHE  35   4.390   6.072   5.059
  257    HE1  PHE  35           HE2      PHE  35   3.363   2.067   2.408
  258    HE2  PHE  35           HE1      PHE  35   2.163   5.049   5.198
  259    HZ   PHE  35           HZ       PHE  35   1.648   3.044   3.887
  260    H    GLU  36           HN       GLU  36   8.874   6.478   5.208
  261    HA   GLU  36           HA       GLU  36  10.876   6.720   3.195
  262    HB2  GLU  36           HB2      GLU  36  11.231   7.755   6.001
  263    HB3  GLU  36           HB1      GLU  36  11.865   8.427   4.520
  264    HG2  GLU  36           HG2      GLU  36  10.216   9.920   4.959
  265    HG3  GLU  36           HG1      GLU  36   9.299   8.769   3.982
  266    H    ASP  37           HN       ASP  37  10.542   4.928   6.057
  267    HA   ASP  37           HA       ASP  37  13.306   4.327   6.498
  268    HB2  ASP  37           HB2      ASP  37  11.625   4.276   8.326
  269    HB3  ASP  37           HB1      ASP  37  10.846   2.897   7.571
  270    H    ILE  38           HN       ILE  38  10.622   2.760   4.823
  271    HA   ILE  38           HA       ILE  38  12.435   0.668   3.976
  272    HB   ILE  38           HB       ILE  38  10.491  -0.274   2.692
  273   HG12  ILE  38          HG12      ILE  38   8.921   1.847   4.202
  274   HG13  ILE  38          HG11      ILE  38   9.127   1.788   2.476
  275   HG21  ILE  38          HG21      ILE  38  10.185   0.060   5.656
  276   HG22  ILE  38          HG22      ILE  38  11.139  -1.165   4.836
  277   HG23  ILE  38          HG23      ILE  38   9.364  -1.169   4.698
  278   HD11  ILE  38          HD11      ILE  38   7.835  -0.290   2.362
  279   HD12  ILE  38          HD12      ILE  38   6.921   0.994   3.135
  280   HD13  ILE  38          HD13      ILE  38   7.650  -0.276   4.115
  281    H    GLY  39           HN       GLY  39  12.354   3.624   3.053
  282    HA2  GLY  39           HA2      GLY  39  13.369   4.655   1.239
  283    HA3  GLY  39           HA1      GLY  39  13.608   3.062   0.574
  284    H    TYR  40           HN       TYR  40  10.501   4.624   1.356
  285    HA   TYR  40           HA       TYR  40   9.943   4.547  -1.512
  286    HB2  TYR  40           HB2      TYR  40   8.145   3.958   0.808
  287    HB3  TYR  40           HB1      TYR  40   7.482   4.467  -0.730
  288    HD1  TYR  40           HD2      TYR  40   9.797   1.924   0.721
  289    HD2  TYR  40           HD1      TYR  40   6.990   2.844  -2.335
  290    HE1  TYR  40           HE2      TYR  40   9.918  -0.382  -0.075
  291    HE2  TYR  40           HE1      TYR  40   7.122   0.552  -3.162
  292    HH   TYR  40           HH       TYR  40   8.884  -1.939  -1.450
  293    H    ASP  41           HN       ASP  41  10.043   6.494  -2.317
  294    HA   ASP  41           HA       ASP  41   8.961   8.780  -0.848
  295    HB2  ASP  41           HB2      ASP  41  10.033   8.657  -3.695
  296    HB3  ASP  41           HB1      ASP  41   9.517  10.109  -2.909
  297    H    SER  42           HN       SER  42   7.527  10.167  -2.441
  298    HA   SER  42           HA       SER  42   5.053   9.021  -2.534
  299    HB2  SER  42           HB2      SER  42   4.524  11.032  -3.931
  300    HB3  SER  42           HB1      SER  42   5.428  11.370  -2.459
  301    H    LEU  43           HN       LEU  43   7.465   9.356  -4.992
  302    HA   LEU  43           HA       LEU  43   6.192   8.758  -7.340
  303    HB2  LEU  43           HB2      LEU  43   8.496   9.529  -7.171
  304    HB3  LEU  43           HB1      LEU  43   8.980   7.988  -6.509
  305    HG   LEU  43           HG       LEU  43   8.380   6.920  -8.670
  306   HD11  LEU  43          HD11      LEU  43   6.750   8.550  -9.445
  307   HD12  LEU  43          HD12      LEU  43   8.041   8.338 -10.637
  308   HD13  LEU  43          HD13      LEU  43   8.024   9.761  -9.591
  309   HD21  LEU  43          HD21      LEU  43  10.314   7.769  -9.900
  310   HD22  LEU  43          HD22      LEU  43  10.692   7.577  -8.176
  311   HD23  LEU  43          HD23      LEU  43  10.373   9.179  -8.837
  312    H    ALA  44           HN       ALA  44   7.911   6.375  -5.338
  313    HA   ALA  44           HA       ALA  44   6.880   4.209  -6.916
  314    HB1  ALA  44           HB1      ALA  44   9.154   4.135  -6.008
  315    HB2  ALA  44           HB2      ALA  44   8.191   2.770  -5.435
  316    HB3  ALA  44           HB3      ALA  44   8.498   4.143  -4.372
  317    H    LEU  45           HN       LEU  45   6.041   5.856  -4.037
  318    HA   LEU  45           HA       LEU  45   4.555   3.756  -2.893
  319    HB2  LEU  45           HB2      LEU  45   5.650   5.737  -1.734
  320    HB3  LEU  45           HB1      LEU  45   4.278   6.697  -2.288
  321    HG   LEU  45           HG       LEU  45   3.967   4.269  -0.505
  322   HD11  LEU  45          HD11      LEU  45   5.443   5.804   0.586
  323   HD12  LEU  45          HD12      LEU  45   3.848   5.798   1.366
  324   HD13  LEU  45          HD13      LEU  45   4.311   7.134   0.302
  325   HD21  LEU  45          HD21      LEU  45   1.861   5.331   0.077
  326   HD22  LEU  45          HD22      LEU  45   1.967   5.040  -1.661
  327   HD23  LEU  45          HD23      LEU  45   2.247   6.672  -1.007
  328    H    MET  46           HN       MET  46   3.566   6.649  -4.900
  329    HA   MET  46           HA       MET  46   0.849   5.873  -4.685
  330    HB2  MET  46           HB2      MET  46   2.202   7.698  -6.653
  331    HB3  MET  46           HB1      MET  46   0.452   7.454  -6.590
  332    HG2  MET  46           HG2      MET  46   0.492   8.252  -4.245
  333    HG3  MET  46           HG1      MET  46   2.209   8.608  -4.435
  334    HE1  MET  46           HE1      MET  46   1.849  11.109  -3.671
  335    HE2  MET  46           HE2      MET  46   0.134  10.781  -3.433
  336    HE3  MET  46           HE3      MET  46   0.637  12.176  -4.382
  337    H    GLU  47           HN       GLU  47   3.391   4.954  -6.864
  338    HA   GLU  47           HA       GLU  47   1.953   3.647  -8.856
  339    HB2  GLU  47           HB2      GLU  47   4.590   3.012  -7.556
  340    HB3  GLU  47           HB1      GLU  47   3.937   2.008  -8.833
  341    HG2  GLU  47           HG2      GLU  47   4.476   4.955  -9.073
  342    HG3  GLU  47           HG1      GLU  47   5.609   3.694  -9.531
  343    H    THR  48           HN       THR  48   3.056   2.471  -5.733
  344    HA   THR  48           HA       THR  48   2.136  -0.153  -5.874
  345    HB   THR  48           HB       THR  48   2.442   1.621  -3.431
  346    HG1  THR  48           HG1      THR  48   4.409   1.507  -4.634
  347   HG21  THR  48          HG21      THR  48   1.198  -0.460  -2.976
  348   HG22  THR  48          HG22      THR  48   2.792  -0.504  -2.226
  349   HG23  THR  48          HG23      THR  48   2.497  -1.394  -3.723
  350    H    ALA  49           HN       ALA  49   0.598   2.711  -4.453
  351    HA   ALA  49           HA       ALA  49  -1.811   1.692  -3.489
  352    HB1  ALA  49           HB1      ALA  49  -1.323   4.335  -4.834
  353    HB2  ALA  49           HB2      ALA  49  -0.993   3.964  -3.143
  354    HB3  ALA  49           HB3      ALA  49  -2.654   3.957  -3.736
  355    H    ALA  50           HN       ALA  50  -1.133   3.041  -6.706
  356    HA   ALA  50           HA       ALA  50  -3.658   2.656  -7.799
  357    HB1  ALA  50           HB1      ALA  50  -1.964   4.123  -8.763
  358    HB2  ALA  50           HB2      ALA  50  -2.623   3.001  -9.961
  359    HB3  ALA  50           HB3      ALA  50  -1.029   2.707  -9.259
  360    H    ARG  51           HN       ARG  51  -1.009   0.406  -7.501
  361    HA   ARG  51           HA       ARG  51  -1.974  -1.506  -9.378
  362    HB2  ARG  51           HB2      ARG  51  -0.206  -2.043  -6.966
  363    HB3  ARG  51           HB1      ARG  51  -0.424  -3.112  -8.339
  364    HG2  ARG  51           HG2      ARG  51   0.828  -0.373  -8.422
  365    HG3  ARG  51           HG1      ARG  51   1.692  -1.920  -8.438
  366    HD2  ARG  51           HD2      ARG  51   0.889  -2.450 -10.564
  367    HD3  ARG  51           HD1      ARG  51  -0.359  -1.202 -10.508
  368    HE   ARG  51           HE       ARG  51   2.124   0.017 -10.224
  369   HH11  ARG  51          HH11      ARG  51   0.367  -1.743 -12.787
  370   HH12  ARG  51          HH12      ARG  51   0.989  -0.768 -14.036
  371   HH21  ARG  51          HH21      ARG  51   2.886   1.387 -11.981
  372   HH22  ARG  51          HH22      ARG  51   2.467   1.050 -13.570
  373    H    LEU  52           HN       LEU  52  -2.673  -0.888  -6.056
  374    HA   LEU  52           HA       LEU  52  -4.163  -3.337  -5.723
  375    HB2  LEU  52           HB2      LEU  52  -3.918  -0.908  -3.967
  376    HB3  LEU  52           HB1      LEU  52  -4.757  -2.370  -3.503
  377    HG   LEU  52           HG       LEU  52  -1.800  -2.122  -4.080
  378   HD11  LEU  52          HD11      LEU  52  -2.446  -1.038  -2.002
  379   HD12  LEU  52          HD12      LEU  52  -1.544  -2.525  -1.680
  380   HD13  LEU  52          HD13      LEU  52  -3.293  -2.499  -1.500
  381   HD21  LEU  52          HD21      LEU  52  -2.644  -4.332  -4.685
  382   HD22  LEU  52          HD22      LEU  52  -3.410  -4.489  -3.114
  383   HD23  LEU  52          HD23      LEU  52  -1.646  -4.414  -3.233
  384    H    GLU  53           HN       GLU  53  -4.895   0.132  -6.094
  385    HA   GLU  53           HA       GLU  53  -7.681  -0.134  -5.863
  386    HB2  GLU  53           HB2      GLU  53  -6.102   1.931  -7.375
  387    HB3  GLU  53           HB1      GLU  53  -7.818   2.023  -6.993
  388    HG2  GLU  53           HG2      GLU  53  -7.205   1.998  -4.594
  389    HG3  GLU  53           HG1      GLU  53  -5.509   2.123  -5.080
  390    H    SER  54           HN       SER  54  -5.600  -0.150  -8.729
  391    HA   SER  54           HA       SER  54  -7.643  -0.164 -10.672
  392    HB2  SER  54           HB2      SER  54  -5.257   0.387 -11.044
  393    HB3  SER  54           HB1      SER  54  -4.850  -1.308 -10.845
  394    HG   SER  54           HG       SER  54  -6.671  -1.417 -12.610
  395    H    ARG  55           HN       ARG  55  -6.162  -2.642  -8.833
  396    HA   ARG  55           HA       ARG  55  -7.162  -4.817 -10.443
  397    HB2  ARG  55           HB2      ARG  55  -4.967  -4.958  -9.515
  398    HB3  ARG  55           HB1      ARG  55  -5.600  -4.696  -7.899
  399    HG2  ARG  55           HG2      ARG  55  -6.650  -6.847  -7.919
  400    HG3  ARG  55           HG1      ARG  55  -6.122  -7.120  -9.592
  401    HD2  ARG  55           HD2      ARG  55  -3.851  -7.153  -8.972
  402    HD3  ARG  55           HD1      ARG  55  -4.201  -6.498  -7.374
  403    HE   ARG  55           HE       ARG  55  -5.055  -9.168  -8.244
  404   HH11  ARG  55          HH11      ARG  55  -3.471  -6.966  -5.939
  405   HH12  ARG  55          HH12      ARG  55  -3.451  -8.068  -4.658
  406   HH21  ARG  55          HH21      ARG  55  -4.910 -10.793  -6.365
  407   HH22  ARG  55          HH22      ARG  55  -4.222 -10.149  -4.916
  408    H    TYR  56           HN       TYR  56  -7.844  -3.523  -7.196
  409    HA   TYR  56           HA       TYR  56  -9.983  -5.465  -6.949
  410    HB2  TYR  56           HB2      TYR  56  -8.808  -3.524  -4.973
  411    HB3  TYR  56           HB1      TYR  56 -10.299  -4.409  -4.642
  412    HD1  TYR  56           HD2      TYR  56  -6.655  -4.789  -5.199
  413    HD2  TYR  56           HD1      TYR  56 -10.289  -6.757  -4.136
  414    HE1  TYR  56           HE2      TYR  56  -5.381  -6.759  -4.473
  415    HE2  TYR  56           HE1      TYR  56  -9.000  -8.726  -3.404
  416    HH   TYR  56           HH       TYR  56  -5.514  -8.736  -3.216
  417    H    GLY  57           HN       GLY  57  -9.681  -2.157  -7.807
  418    HA2  GLY  57           HA2      GLY  57 -11.318  -0.937  -8.891
  419    HA3  GLY  57           HA1      GLY  57 -12.511  -2.123  -8.374
  420    H    VAL  58           HN       VAL  58 -10.238  -0.244  -6.406
  421    HA   VAL  58           HA       VAL  58 -12.594   0.728  -4.982
  422    HB   VAL  58           HB       VAL  58 -11.417   0.925  -2.963
  423   HG11  VAL  58          HG11      VAL  58 -11.824  -1.385  -3.480
  424   HG12  VAL  58          HG12      VAL  58 -10.345  -1.189  -2.542
  425   HG13  VAL  58          HG13      VAL  58 -10.244  -1.482  -4.280
  426   HG21  VAL  58          HG21      VAL  58  -9.407   2.094  -3.736
  427   HG22  VAL  58          HG22      VAL  58  -8.749   0.557  -4.347
  428   HG23  VAL  58          HG23      VAL  58  -9.052   0.790  -2.612
  429    H    SER  59           HN       SER  59 -11.719   3.041  -3.708
  430    HA   SER  59           HA       SER  59 -10.508   4.708  -5.715
  431    HB2  SER  59           HB2      SER  59 -12.967   4.616  -6.281
  432    HB3  SER  59           HB1      SER  59 -13.310   5.282  -4.693
  433    HG   SER  59           HG       SER  59 -12.241   7.166  -5.297
  434    H    ILE  60           HN       ILE  60  -8.890   5.226  -4.264
  435    HA   ILE  60           HA       ILE  60  -9.616   6.145  -1.624
  436    HB   ILE  60           HB       ILE  60  -6.891   5.756  -2.934
  437   HG12  ILE  60          HG12      ILE  60  -8.371   4.070  -0.890
  438   HG13  ILE  60          HG11      ILE  60  -8.194   3.687  -2.585
  439   HG21  ILE  60          HG21      ILE  60  -5.940   5.959  -0.717
  440   HG22  ILE  60          HG22      ILE  60  -7.528   6.350  -0.047
  441   HG23  ILE  60          HG23      ILE  60  -6.755   7.452  -1.195
  442   HD11  ILE  60          HD11      ILE  60  -5.955   3.917  -0.597
  443   HD12  ILE  60          HD12      ILE  60  -5.779   3.472  -2.299
  444   HD13  ILE  60          HD13      ILE  60  -6.686   2.429  -1.194
  445    HA   PRO  61           HA       PRO  61  -9.668  10.352  -3.131
  446    HB2  PRO  61           HB2      PRO  61  -9.707  11.270  -0.380
  447    HB3  PRO  61           HB1      PRO  61 -10.999  11.299  -1.582
  448    HG2  PRO  61           HG2      PRO  61 -11.044   9.684   0.612
  449    HG3  PRO  61           HG1      PRO  61 -11.842   9.273  -0.927
  450    HD2  PRO  61           HD2      PRO  61  -9.210   8.345   0.165
  451    HD3  PRO  61           HD1      PRO  61 -10.469   7.408  -0.666
  452    H    ASP  62           HN       ASP  62  -8.344  12.117  -3.329
  453    HA   ASP  62           HA       ASP  62  -5.612  11.964  -3.165
  454    HB2  ASP  62           HB2      ASP  62  -7.300  14.480  -3.040
  455    HB3  ASP  62           HB1      ASP  62  -5.574  14.444  -3.335
  456    H    ASP  63           HN       ASP  63  -7.797  13.399  -0.800
  457    HA   ASP  63           HA       ASP  63  -5.861  14.643   0.830
  458    HB2  ASP  63           HB2      ASP  63  -8.537  13.582   1.733
  459    HB3  ASP  63           HB1      ASP  63  -7.593  14.866   2.486
  460    H    VAL  64           HN       VAL  64  -7.112  11.413   0.732
  461    HA   VAL  64           HA       VAL  64  -6.036  10.812   3.341
  462    HB   VAL  64           HB       VAL  64  -7.415   8.884   1.462
  463   HG11  VAL  64          HG11      VAL  64  -6.927   8.779   4.421
  464   HG12  VAL  64          HG12      VAL  64  -6.145   7.777   3.197
  465   HG13  VAL  64          HG13      VAL  64  -7.865   7.589   3.510
  466   HG21  VAL  64          HG21      VAL  64  -8.614  10.546   3.681
  467   HG22  VAL  64          HG22      VAL  64  -9.462   9.303   2.760
  468   HG23  VAL  64          HG23      VAL  64  -8.896  10.767   1.951
  469    H    ALA  65           HN       ALA  65  -4.957  10.760   0.187
  470    HA   ALA  65           HA       ALA  65  -3.242   8.580   0.104
  471    HB1  ALA  65           HB1      ALA  65  -2.064   9.811  -1.651
  472    HB2  ALA  65           HB2      ALA  65  -2.885  11.286  -1.178
  473    HB3  ALA  65           HB3      ALA  65  -3.810   9.944  -1.848
  474    H    GLY  66           HN       GLY  66  -2.977  11.609   1.743
  475    HA2  GLY  66           HA2      GLY  66  -0.196  10.964   2.480
  476    HA3  GLY  66           HA1      GLY  66  -0.867  12.579   2.452
  477    H    ARG  67           HN       ARG  67  -2.603   9.831   3.699
  478    HA   ARG  67           HA       ARG  67  -2.337  10.967   6.416
  479    HB2  ARG  67           HB2      ARG  67  -4.660   9.598   5.106
  480    HB3  ARG  67           HB1      ARG  67  -4.599   9.850   6.842
  481    HG2  ARG  67           HG2      ARG  67  -4.577  11.981   4.708
  482    HG3  ARG  67           HG1      ARG  67  -5.936  11.546   5.726
  483    HD2  ARG  67           HD2      ARG  67  -4.577  12.158   7.705
  484    HD3  ARG  67           HD1      ARG  67  -3.318  12.752   6.612
  485    HE   ARG  67           HE       ARG  67  -5.741  13.953   5.931
  486   HH11  ARG  67          HH11      ARG  67  -3.283  14.131   8.554
  487   HH12  ARG  67          HH12      ARG  67  -3.765  15.698   9.006
  488   HH21  ARG  67          HH21      ARG  67  -6.383  16.118   6.702
  489   HH22  ARG  67          HH22      ARG  67  -5.453  16.798   7.983
  490    H    VAL  68           HN       VAL  68  -1.083   8.615   4.722
  491    HA   VAL  68           HA       VAL  68  -1.415   6.549   6.730
  492    HB   VAL  68           HB       VAL  68  -0.429   5.026   4.916
  493   HG11  VAL  68          HG11      VAL  68  -3.044   6.399   4.354
  494   HG12  VAL  68          HG12      VAL  68  -2.776   5.037   5.459
  495   HG13  VAL  68          HG13      VAL  68  -2.570   4.820   3.716
  496   HG21  VAL  68          HG21      VAL  68  -1.091   7.378   3.087
  497   HG22  VAL  68          HG22      VAL  68  -0.605   5.784   2.559
  498   HG23  VAL  68          HG23      VAL  68   0.528   6.801   3.460
  499    H    ASP  69           HN       ASP  69   0.136   6.761   8.236
  500    HA   ASP  69           HA       ASP  69   2.811   7.661   7.548
  501    HB2  ASP  69           HB2      ASP  69   1.397   7.068  10.125
  502    HB3  ASP  69           HB1      ASP  69   3.147   7.073  10.111
  503    H    THR  70           HN       THR  70   1.214   4.728   8.582
  504    HA   THR  70           HA       THR  70   3.651   3.235   7.839
  505    HB   THR  70           HB       THR  70   2.914   1.483   9.483
  506    HG1  THR  70           HG1      THR  70   1.023   3.491  10.096
  507   HG21  THR  70          HG21      THR  70   3.396   4.215  10.694
  508   HG22  THR  70          HG22      THR  70   4.642   3.115  10.133
  509   HG23  THR  70          HG23      THR  70   3.631   2.674  11.510
  510    HA   PRO  71           HA       PRO  71   1.201   0.859   4.866
  511    HB2  PRO  71           HB2      PRO  71   2.552  -1.521   6.058
  512    HB3  PRO  71           HB1      PRO  71   2.440  -1.048   4.361
  513    HG2  PRO  71           HG2      PRO  71   4.709  -0.702   5.671
  514    HG3  PRO  71           HG1      PRO  71   4.123   0.572   4.588
  515    HD2  PRO  71           HD2      PRO  71   4.017   0.411   7.576
  516    HD3  PRO  71           HD1      PRO  71   4.384   1.808   6.542
  517    H    ARG  72           HN       ARG  72   1.372  -0.019   8.194
  518    HA   ARG  72           HA       ARG  72  -0.645  -1.923   8.546
  519    HB2  ARG  72           HB2      ARG  72   0.916  -1.164  10.288
  520    HB3  ARG  72           HB1      ARG  72   0.165   0.423  10.279
  521    HG2  ARG  72           HG2      ARG  72  -1.933  -0.658  11.058
  522    HG3  ARG  72           HG1      ARG  72  -1.031  -2.168  11.203
  523    HD2  ARG  72           HD2      ARG  72  -1.141  -1.053  13.360
  524    HD3  ARG  72           HD1      ARG  72   0.519  -1.069  12.772
  525    HE   ARG  72           HE       ARG  72  -0.489   1.339  11.940
  526   HH11  ARG  72          HH11      ARG  72   0.082  -0.232  15.060
  527   HH12  ARG  72          HH12      ARG  72   0.044   1.197  15.967
  528   HH21  ARG  72          HH21      ARG  72  -0.503   3.392  13.182
  529   HH22  ARG  72          HH22      ARG  72  -0.270   3.290  14.868
  530    H    GLU  73           HN       GLU  73  -0.735   1.593   8.500
  531    HA   GLU  73           HA       GLU  73  -3.516   1.824   8.991
  532    HB2  GLU  73           HB2      GLU  73  -1.285   3.697   8.312
  533    HB3  GLU  73           HB1      GLU  73  -2.916   4.304   8.598
  534    HG2  GLU  73           HG2      GLU  73  -2.870   3.677  10.840
  535    HG3  GLU  73           HG1      GLU  73  -1.619   2.463  10.584
  536    H    LEU  74           HN       LEU  74  -1.522   1.546   6.226
  537    HA   LEU  74           HA       LEU  74  -3.397   2.627   4.343
  538    HB2  LEU  74           HB2      LEU  74  -0.771   2.225   4.162
  539    HB3  LEU  74           HB1      LEU  74  -1.240   0.636   3.637
  540    HG   LEU  74           HG       LEU  74  -1.883   3.266   2.267
  541   HD11  LEU  74          HD11      LEU  74   0.438   2.662   2.069
  542   HD12  LEU  74          HD12      LEU  74  -0.373   2.485   0.517
  543   HD13  LEU  74          HD13      LEU  74  -0.013   1.062   1.483
  544   HD21  LEU  74          HD21      LEU  74  -2.750   1.943   0.398
  545   HD22  LEU  74          HD22      LEU  74  -3.679   1.644   1.865
  546   HD23  LEU  74          HD23      LEU  74  -2.497   0.461   1.322
  547    H    LEU  75           HN       LEU  75  -2.553  -0.566   5.592
  548    HA   LEU  75           HA       LEU  75  -4.149  -2.175   3.939
  549    HB2  LEU  75           HB2      LEU  75  -2.379  -2.994   5.448
  550    HB3  LEU  75           HB1      LEU  75  -3.386  -2.619   6.832
  551    HG   LEU  75           HG       LEU  75  -5.055  -4.251   6.020
  552   HD11  LEU  75          HD11      LEU  75  -2.889  -5.007   4.086
  553   HD12  LEU  75          HD12      LEU  75  -4.450  -4.295   3.661
  554   HD13  LEU  75          HD13      LEU  75  -4.377  -5.913   4.364
  555   HD21  LEU  75          HD21      LEU  75  -3.459  -4.828   7.782
  556   HD22  LEU  75          HD22      LEU  75  -2.286  -5.303   6.558
  557   HD23  LEU  75          HD23      LEU  75  -3.784  -6.214   6.739
  558    H    ASP  76           HN       ASP  76  -4.843  -0.850   7.185
  559    HA   ASP  76           HA       ASP  76  -7.510  -1.745   7.293
  560    HB2  ASP  76           HB2      ASP  76  -6.145   0.488   8.804
  561    HB3  ASP  76           HB1      ASP  76  -7.846   0.176   8.987
  562    H    LEU  77           HN       LEU  77  -6.103   1.032   5.828
  563    HA   LEU  77           HA       LEU  77  -8.453   2.595   5.615
  564    HB2  LEU  77           HB2      LEU  77  -5.975   3.290   5.334
  565    HB3  LEU  77           HB1      LEU  77  -6.119   2.683   3.700
  566    HG   LEU  77           HG       LEU  77  -6.294   5.158   3.861
  567   HD11  LEU  77          HD11      LEU  77  -7.324   4.069   1.962
  568   HD12  LEU  77          HD12      LEU  77  -8.244   5.481   2.462
  569   HD13  LEU  77          HD13      LEU  77  -8.821   3.866   2.862
  570   HD21  LEU  77          HD21      LEU  77  -8.826   4.573   5.380
  571   HD22  LEU  77          HD22      LEU  77  -8.308   6.165   4.821
  572   HD23  LEU  77          HD23      LEU  77  -7.358   5.304   6.029
  573    H    ILE  78           HN       ILE  78  -6.939   0.245   3.453
  574    HA   ILE  78           HA       ILE  78  -8.791   0.695   1.332
  575    HB   ILE  78           HB       ILE  78  -6.725  -1.454   1.816
  576   HG12  ILE  78          HG12      ILE  78  -6.932   0.814  -0.173
  577   HG13  ILE  78          HG11      ILE  78  -5.850   0.716   1.206
  578   HG21  ILE  78          HG21      ILE  78  -8.466  -2.580   0.675
  579   HG22  ILE  78          HG22      ILE  78  -7.130  -2.285  -0.451
  580   HG23  ILE  78          HG23      ILE  78  -8.596  -1.301  -0.539
  581   HD11  ILE  78          HD11      ILE  78  -4.704   0.313  -0.897
  582   HD12  ILE  78          HD12      ILE  78  -5.765  -1.053  -1.244
  583   HD13  ILE  78          HD13      ILE  78  -4.649  -1.118   0.132
  584    H    ASN  79           HN       ASN  79  -8.291  -1.966   3.588
  585    HA   ASN  79           HA       ASN  79 -10.586  -3.332   2.740
  586    HB2  ASN  79           HB2      ASN  79  -8.839  -3.608   5.154
  587    HB3  ASN  79           HB1      ASN  79 -10.238  -4.653   4.897
  588   HD21  ASN  79          HD21      ASN  79  -7.404  -5.410   4.981
  589   HD22  ASN  79          HD22      ASN  79  -7.080  -6.124   3.448
  590    H    GLY  80           HN       GLY  80 -10.146  -0.779   5.045
  591    HA2  GLY  80           HA2      GLY  80 -12.637  -1.092   6.352
  592    HA3  GLY  80           HA1      GLY  80 -11.629   0.348   6.353
  593    H    ALA  81           HN       ALA  81 -11.510   0.773   3.520
  594    HA   ALA  81           HA       ALA  81 -13.946   2.156   3.130
  595    HB1  ALA  81           HB1      ALA  81 -11.842   2.918   2.156
  596    HB2  ALA  81           HB2      ALA  81 -13.049   2.662   0.891
  597    HB3  ALA  81           HB3      ALA  81 -11.768   1.473   1.160
  598    H    LEU  82           HN       LEU  82 -12.616  -0.842   1.884
  599    HA   LEU  82           HA       LEU  82 -14.664  -1.675   0.185
  600    HB2  LEU  82           HB2      LEU  82 -12.932  -3.311   2.050
  601    HB3  LEU  82           HB1      LEU  82 -13.990  -3.988   0.825
  602    HG   LEU  82           HG       LEU  82 -11.714  -2.106   0.188
  603   HD11  LEU  82          HD11      LEU  82 -10.499  -4.059  -0.546
  604   HD12  LEU  82          HD12      LEU  82 -11.788  -5.108   0.068
  605   HD13  LEU  82          HD13      LEU  82 -10.840  -4.121   1.180
  606   HD21  LEU  82          HD21      LEU  82 -13.389  -3.940  -1.535
  607   HD22  LEU  82          HD22      LEU  82 -12.040  -2.938  -2.084
  608   HD23  LEU  82          HD23      LEU  82 -13.503  -2.179  -1.459
  609    H    ALA  83           HN       ALA  83 -14.383  -2.055   3.702
  610    HA   ALA  83           HA       ALA  83 -16.859  -3.455   3.954
  611    HB1  ALA  83           HB1      ALA  83 -16.461  -3.342   6.339
  612    HB2  ALA  83           HB2      ALA  83 -15.194  -2.145   6.085
  613    HB3  ALA  83           HB3      ALA  83 -14.989  -3.793   5.480
  614    H    GLU  84           HN       GLU  84 -16.182  -0.188   3.527
  615    HA   GLU  84           HA       GLU  84 -18.596   0.653   4.901
  616    HB2  GLU  84           HB2      GLU  84 -16.605   2.135   5.017
  617    HB3  GLU  84           HB1      GLU  84 -16.627   2.269   3.267
  618    HG2  GLU  84           HG2      GLU  84 -18.789   3.352   3.340
  619    HG3  GLU  84           HG1      GLU  84 -18.828   3.195   5.085
  620    H    ALA  85           HN       ALA  85 -17.449  -0.150   1.765
  621    HA   ALA  85           HA       ALA  85 -19.739   0.961   0.387
  622    HB1  ALA  85           HB1      ALA  85 -18.731   0.017  -1.625
  623    HB2  ALA  85           HB2      ALA  85 -17.540  -0.828  -0.639
  624    HB3  ALA  85           HB3      ALA  85 -17.537   0.942  -0.709
  625    H    ALA  86           HN       ALA  86 -18.431  -2.217   1.169
  626    HA   ALA  86           HA       ALA  86 -19.261  -4.257   1.397
  627    HB1  ALA  86           HB1      ALA  86 -21.580  -4.587   2.110
  628    HB2  ALA  86           HB2      ALA  86 -21.988  -2.961   1.581
  629    HB3  ALA  86           HB3      ALA  86 -20.885  -3.195   2.945
  630   H28A  SXR 101          H28A      SXR  42   5.585  10.263  -6.867
  631   H28B  SXR 101          H28B      SXR  42   4.353  10.936  -5.900
  632   H30A  SXR 101          H30A      SXR  42   3.940   9.205  -8.566
  633   H30B  SXR 101          H30B      SXR  42   2.488  10.169  -8.743
  634   H30C  SXR 101          H30C      SXR  42   3.056   9.709  -7.123
  635   H31A  SXR 101          H31A      SXR  42   2.331  12.254  -8.518
  636   H31B  SXR 101          H31B      SXR  42   3.732  13.325  -8.521
  637   H31C  SXR 101          H31C      SXR  42   3.062  12.750  -6.997
  638   H32A  SXR 101          H32A      SXR  42   5.791  10.475  -9.426
  639   H33A  SXR 101          H33A      SXR  42   5.550  13.047 -10.072
  640   H36A  SXR 101          H36A      SXR  42   3.793   9.548 -10.522
  641   H37A  SXR 101          H37A      SXR  42   2.326  11.207 -12.371
  642   H37B  SXR 101          H37B      SXR  42   3.460  10.048 -13.092
  643   H38A  SXR 101          H38A      SXR  42   1.158   9.141 -12.953
  644   H38B  SXR 101          H38B      SXR  42   2.290   8.205 -11.996
  645   H41A  SXR 101          H41A      SXR  42   1.036  11.330 -10.972
  646   H42A  SXR 101          H42A      SXR  42  -0.298  10.137  -8.648
  647   H42B  SXR 101          H42B      SXR  42   0.322  11.772  -8.785
  648   H43A  SXR 101          H43A      SXR  42  -1.423  12.267 -10.474
  649   H43B  SXR 101          H43B      SXR  42  -2.055  11.856  -8.865
  650   H11A  SXR 101          H11A      SXR  42  -1.074   8.121  -3.377
  651   H10A  SXR 101          H10A      SXR  42  -0.183   6.878  -1.431
  652    H9A  SXR 101           H9A      SXR  42  -1.614   5.268  -0.217
  653    H8A  SXR 101           H8A      SXR  42  -3.953   4.896  -0.947
  654    H7A  SXR 101           H7A      SXR  42  -4.849   6.146  -2.898
  655    H5A  SXR 101           H5A      SXR  42  -4.602   8.297  -4.565
  656    H5B  SXR 101           H5B      SXR  42  -3.346   8.880  -3.913
  657    H4A  SXR 101           H4A      SXR  42  -1.695   7.923  -5.767
  658    H4B  SXR 101           H4B      SXR  42  -2.647   6.784  -5.561
  659    H2A  SXR 101           H2A      SXR  42  -1.677   8.547  -8.340
  660    H2B  SXR 101           H2B      SXR  42  -2.832   7.667  -8.657
  661    H1A  SXR 101           H1A      SXR  42  -4.437  10.033  -9.036
  662    H1B  SXR 101           H1B      SXR  42  -3.195  10.458  -8.253
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1 -20.587 -11.849   0.580
    2    H2   MET   1           HT2      MET   1 -20.935 -13.303  -0.212
    3    H3   MET   1           HT3      MET   1 -20.141 -12.054  -1.005
    4    HA   MET   1           HA       MET   1 -18.909 -13.430   1.266
    5    HB2  MET   1           HB2      MET   1 -18.330 -13.638  -1.708
    6    HB3  MET   1           HB1      MET   1 -17.419 -14.410  -0.438
    7    HG2  MET   1           HG2      MET   1 -19.324 -15.808   0.139
    8    HG3  MET   1           HG1      MET   1 -20.300 -14.990  -1.077
    9    HE1  MET   1           HE1      MET   1 -18.135 -14.690  -3.441
   10    HE2  MET   1           HE2      MET   1 -19.796 -15.189  -3.739
   11    HE3  MET   1           HE3      MET   1 -18.455 -16.130  -4.403
   12    H    ALA   2           HN       ALA   2 -16.635 -12.740   1.421
   13    HA   ALA   2           HA       ALA   2 -16.229 -10.122   0.180
   14    HB1  ALA   2           HB1      ALA   2 -16.904  -9.865   2.511
   15    HB2  ALA   2           HB2      ALA   2 -15.230  -9.337   2.254
   16    HB3  ALA   2           HB3      ALA   2 -15.560 -10.898   3.010
   17    H    THR   3           HN       THR   3 -14.163  -9.648  -0.423
   18    HA   THR   3           HA       THR   3 -12.185 -11.777  -0.122
   19    HB   THR   3           HB       THR   3 -12.645 -10.002  -2.563
   20    HG1  THR   3           HG1      THR   3 -13.647 -12.386  -1.705
   21   HG21  THR   3          HG21      THR   3 -10.785 -12.377  -2.161
   22   HG22  THR   3          HG22      THR   3 -10.271 -10.686  -2.252
   23   HG23  THR   3          HG23      THR   3 -10.987 -11.462  -3.662
   24    H    LEU   4           HN       LEU   4 -11.345 -10.740   1.660
   25    HA   LEU   4           HA       LEU   4 -10.297  -8.034   1.389
   26    HB2  LEU   4           HB2      LEU   4 -10.671  -9.837   3.778
   27    HB3  LEU   4           HB1      LEU   4  -9.588  -8.467   3.853
   28    HG   LEU   4           HG       LEU   4 -11.702  -7.952   4.874
   29   HD11  LEU   4          HD11      LEU   4 -11.327  -6.472   2.294
   30   HD12  LEU   4          HD12      LEU   4 -10.532  -6.149   3.841
   31   HD13  LEU   4          HD13      LEU   4 -12.275  -5.913   3.678
   32   HD21  LEU   4          HD21      LEU   4 -12.957  -8.494   2.188
   33   HD22  LEU   4          HD22      LEU   4 -13.775  -7.808   3.590
   34   HD23  LEU   4          HD23      LEU   4 -13.165  -9.458   3.646
   35    H    LEU   5           HN       LEU   5  -8.367  -7.791   0.651
   36    HA   LEU   5           HA       LEU   5  -6.316  -9.694   0.424
   37    HB2  LEU   5           HB2      LEU   5  -4.804  -7.888  -0.134
   38    HB3  LEU   5           HB1      LEU   5  -6.349  -7.576  -0.858
   39    HG   LEU   5           HG       LEU   5  -5.543  -6.231   1.713
   40   HD11  LEU   5          HD11      LEU   5  -3.796  -5.731   0.117
   41   HD12  LEU   5          HD12      LEU   5  -4.799  -4.319   0.374
   42   HD13  LEU   5          HD13      LEU   5  -4.992  -5.284  -1.103
   43   HD21  LEU   5          HD21      LEU   5  -7.048  -4.450   0.811
   44   HD22  LEU   5          HD22      LEU   5  -7.858  -5.919   1.271
   45   HD23  LEU   5          HD23      LEU   5  -7.554  -5.570  -0.452
   46    H    THR   6           HN       THR   6  -4.637 -10.288   1.730
   47    HA   THR   6           HA       THR   6  -4.773  -9.359   4.465
   48    HB   THR   6           HB       THR   6  -3.248 -11.223   4.984
   49    HG1  THR   6           HG1      THR   6  -2.248 -12.323   3.468
   50   HG21  THR   6          HG21      THR   6  -5.574 -12.043   3.223
   51   HG22  THR   6          HG22      THR   6  -5.677 -11.703   4.943
   52   HG23  THR   6          HG23      THR   6  -4.769 -13.102   4.371
   53    H    THR   7           HN       THR   7  -2.238  -9.536   5.382
   54    HA   THR   7           HA       THR   7  -0.970  -7.236   4.488
   55    HB   THR   7           HB       THR   7   0.323  -9.483   6.031
   56    HG1  THR   7           HG1      THR   7  -0.775  -8.822   7.823
   57   HG21  THR   7          HG21      THR   7   0.432  -6.471   6.230
   58   HG22  THR   7          HG22      THR   7   1.681  -7.483   5.510
   59   HG23  THR   7          HG23      THR   7   1.344  -7.592   7.239
   60    H    ASP   8           HN       ASP   8  -0.828 -10.576   3.629
   61    HA   ASP   8           HA       ASP   8   1.790 -10.741   2.545
   62    HB2  ASP   8           HB2      ASP   8  -0.554 -12.502   1.818
   63    HB3  ASP   8           HB1      ASP   8   1.156 -12.905   1.752
   64    H    ASP   9           HN       ASP   9  -1.351  -9.982   1.265
   65    HA   ASP   9           HA       ASP   9  -0.529 -10.129  -1.477
   66    HB2  ASP   9           HB2      ASP   9  -2.994 -10.286  -0.622
   67    HB3  ASP   9           HB1      ASP   9  -2.884  -8.571  -0.442
   68    H    LEU  10           HN       LEU  10  -1.072  -7.574   0.861
   69    HA   LEU  10           HA       LEU  10  -0.344  -5.330  -0.627
   70    HB2  LEU  10           HB2      LEU  10  -1.378  -5.260   1.585
   71    HB3  LEU  10           HB1      LEU  10   0.077  -5.922   2.307
   72    HG   LEU  10           HG       LEU  10   1.288  -3.841   1.708
   73   HD11  LEU  10          HD11      LEU  10  -0.057  -3.186  -0.206
   74   HD12  LEU  10          HD12      LEU  10   0.026  -1.888   0.988
   75   HD13  LEU  10          HD13      LEU  10  -1.434  -2.885   0.863
   76   HD21  LEU  10          HD21      LEU  10   0.286  -4.110   3.920
   77   HD22  LEU  10          HD22      LEU  10  -1.232  -3.458   3.311
   78   HD23  LEU  10          HD23      LEU  10   0.200  -2.430   3.391
   79    H    ARG  11           HN       ARG  11   1.622  -7.559   1.275
   80    HA   ARG  11           HA       ARG  11   4.162  -6.491   1.061
   81    HB2  ARG  11           HB2      ARG  11   3.688  -8.420   2.438
   82    HB3  ARG  11           HB1      ARG  11   3.285  -9.405   1.047
   83    HG2  ARG  11           HG2      ARG  11   5.681  -9.218   0.312
   84    HG3  ARG  11           HG1      ARG  11   6.011  -8.380   1.829
   85    HD2  ARG  11           HD2      ARG  11   4.823 -11.154   1.660
   86    HD3  ARG  11           HD1      ARG  11   6.540 -10.814   1.890
   87    HE   ARG  11           HE       ARG  11   5.932  -9.749   3.981
   88   HH11  ARG  11          HH11      ARG  11   3.748 -12.197   2.671
   89   HH12  ARG  11          HH12      ARG  11   2.890 -12.474   4.092
   90   HH21  ARG  11          HH21      ARG  11   4.824 -10.147   6.024
   91   HH22  ARG  11          HH22      ARG  11   3.528 -11.223   6.111
   92    H    ARG  12           HN       ARG  12   2.449  -8.573  -1.214
   93    HA   ARG  12           HA       ARG  12   4.617  -8.733  -3.067
   94    HB2  ARG  12           HB2      ARG  12   1.683  -9.305  -3.466
   95    HB3  ARG  12           HB1      ARG  12   2.954  -9.682  -4.608
   96    HG2  ARG  12           HG2      ARG  12   3.976 -11.184  -2.908
   97    HG3  ARG  12           HG1      ARG  12   2.621 -10.860  -1.839
   98    HD2  ARG  12           HD2      ARG  12   2.500 -12.120  -4.569
   99    HD3  ARG  12           HD1      ARG  12   2.346 -12.970  -3.036
  100    HE   ARG  12           HE       ARG  12   0.373 -10.919  -3.333
  101   HH11  ARG  12          HH11      ARG  12   1.151 -14.277  -4.210
  102   HH12  ARG  12          HH12      ARG  12  -0.472 -14.736  -4.422
  103   HH21  ARG  12          HH21      ARG  12  -1.904 -11.586  -3.678
  104   HH22  ARG  12          HH22      ARG  12  -2.177 -13.217  -4.130
  105    H    ALA  13           HN       ALA  13   1.615  -6.870  -2.958
  106    HA   ALA  13           HA       ALA  13   1.889  -5.595  -5.426
  107    HB1  ALA  13           HB1      ALA  13   0.251  -3.991  -4.632
  108    HB2  ALA  13           HB2      ALA  13   0.502  -4.528  -2.972
  109    HB3  ALA  13           HB3      ALA  13  -0.205  -5.625  -4.157
  110    H    LEU  14           HN       LEU  14   3.298  -4.829  -2.346
  111    HA   LEU  14           HA       LEU  14   4.122  -2.201  -2.988
  112    HB2  LEU  14           HB2      LEU  14   3.902  -3.115  -0.678
  113    HB3  LEU  14           HB1      LEU  14   5.305  -4.102  -0.978
  114    HG   LEU  14           HG       LEU  14   6.689  -2.068  -1.219
  115   HD11  LEU  14          HD11      LEU  14   4.181  -0.586  -0.402
  116   HD12  LEU  14          HD12      LEU  14   4.985  -0.468  -1.962
  117   HD13  LEU  14          HD13      LEU  14   5.788   0.120  -0.511
  118   HD21  LEU  14          HD21      LEU  14   5.107  -2.257   1.334
  119   HD22  LEU  14          HD22      LEU  14   6.680  -1.463   1.148
  120   HD23  LEU  14          HD23      LEU  14   6.533  -3.206   0.900
  121    H    VAL  15           HN       VAL  15   5.597  -5.352  -3.400
  122    HA   VAL  15           HA       VAL  15   8.188  -4.344  -4.102
  123    HB   VAL  15           HB       VAL  15   7.038  -7.113  -4.578
  124   HG11  VAL  15          HG11      VAL  15   9.924  -6.211  -4.622
  125   HG12  VAL  15          HG12      VAL  15   8.966  -6.715  -6.011
  126   HG13  VAL  15          HG13      VAL  15   9.365  -7.881  -4.747
  127   HG21  VAL  15          HG21      VAL  15   8.284  -7.763  -2.563
  128   HG22  VAL  15          HG22      VAL  15   7.060  -6.535  -2.228
  129   HG23  VAL  15          HG23      VAL  15   8.757  -6.078  -2.321
  130    H    GLU  16           HN       GLU  16   5.287  -4.969  -5.825
  131    HA   GLU  16           HA       GLU  16   6.171  -5.318  -8.462
  132    HB2  GLU  16           HB2      GLU  16   3.663  -3.984  -7.442
  133    HB3  GLU  16           HB1      GLU  16   3.931  -4.416  -9.115
  134    HG2  GLU  16           HG2      GLU  16   3.957  -6.383  -6.852
  135    HG3  GLU  16           HG1      GLU  16   2.525  -6.002  -7.792
  136    H    SER  17           HN       SER  17   6.004  -2.428  -6.555
  137    HA   SER  17           HA       SER  17   5.991  -0.567  -8.701
  138    HB2  SER  17           HB2      SER  17   5.154   0.002  -6.489
  139    HB3  SER  17           HB1      SER  17   6.763  -0.202  -5.791
  140    HG   SER  17           HG       SER  17   6.085   2.005  -6.304
  141    H    ALA  18           HN       ALA  18   8.639  -1.501  -6.435
  142    HA   ALA  18           HA       ALA  18  10.567  -0.155  -8.144
  143    HB1  ALA  18           HB1      ALA  18  12.152  -0.546  -6.329
  144    HB2  ALA  18           HB2      ALA  18  10.958  -1.550  -5.500
  145    HB3  ALA  18           HB3      ALA  18  10.661   0.163  -5.708
  146    H    GLY  19           HN       GLY  19   9.189  -2.868  -8.644
  147    HA2  GLY  19           HA2      GLY  19  11.370  -4.768  -8.637
  148    HA3  GLY  19           HA1      GLY  19   9.750  -5.021  -9.242
  149    H    GLU  20           HN       GLU  20  12.218  -2.676 -10.123
  150    HA   GLU  20           HA       GLU  20  11.797  -3.178 -12.943
  151    HB2  GLU  20           HB2      GLU  20  13.516  -1.228 -11.435
  152    HB3  GLU  20           HB1      GLU  20  13.715  -1.435 -13.163
  153    HG2  GLU  20           HG2      GLU  20  11.077  -0.759 -11.920
  154    HG3  GLU  20           HG1      GLU  20  12.259   0.460 -12.407
  155    H    THR  21           HN       THR  21  14.942  -2.853 -11.338
  156    HA   THR  21           HA       THR  21  15.724  -5.423 -12.483
  157    HB   THR  21           HB       THR  21  16.457  -3.776 -14.105
  158    HG1  THR  21           HG1      THR  21  18.501  -4.922 -12.533
  159   HG21  THR  21          HG21      THR  21  17.950  -2.419 -11.847
  160   HG22  THR  21          HG22      THR  21  16.542  -1.789 -12.700
  161   HG23  THR  21          HG23      THR  21  18.067  -2.001 -13.558
  162    H    ASP  22           HN       ASP  22  15.082  -4.480  -9.840
  163    HA   ASP  22           HA       ASP  22  17.172  -5.725  -8.443
  164    HB2  ASP  22           HB2      ASP  22  17.740  -3.797  -6.877
  165    HB3  ASP  22           HB1      ASP  22  18.308  -3.611  -8.514
  166    H    GLY  23           HN       GLY  23  14.839  -3.286  -7.178
  167    HA2  GLY  23           HA2      GLY  23  12.609  -4.026  -6.616
  168    HA3  GLY  23           HA1      GLY  23  13.321  -5.587  -6.208
  169    H    THR  24           HN       THR  24  12.665  -5.679  -4.144
  170    HA   THR  24           HA       THR  24  14.205  -4.414  -2.215
  171    HB   THR  24           HB       THR  24  12.677  -2.485  -2.703
  172    HG1  THR  24           HG1      THR  24  12.390  -1.986  -0.655
  173   HG21  THR  24          HG21      THR  24  10.451  -4.344  -1.824
  174   HG22  THR  24          HG22      THR  24  10.679  -3.676  -3.443
  175   HG23  THR  24          HG23      THR  24  10.291  -2.611  -2.096
  176    H    ASP  25           HN       ASP  25  12.698  -4.888   0.003
  177    HA   ASP  25           HA       ASP  25  11.247  -7.329  -0.214
  178    HB2  ASP  25           HB2      ASP  25  13.495  -8.334  -0.309
  179    HB3  ASP  25           HB1      ASP  25  13.941  -7.463   1.162
  180    H    LEU  26           HN       LEU  26  10.165  -7.796   1.612
  181    HA   LEU  26           HA       LEU  26  10.366  -5.778   3.766
  182    HB2  LEU  26           HB2      LEU  26   7.896  -7.206   2.808
  183    HB3  LEU  26           HB1      LEU  26   7.964  -6.144   4.198
  184    HG   LEU  26           HG       LEU  26   6.930  -4.918   2.552
  185   HD11  LEU  26          HD11      LEU  26   8.631  -3.674   3.608
  186   HD12  LEU  26          HD12      LEU  26   8.474  -3.151   1.924
  187   HD13  LEU  26          HD13      LEU  26   9.816  -4.215   2.424
  188   HD21  LEU  26          HD21      LEU  26   7.311  -6.383   0.683
  189   HD22  LEU  26          HD22      LEU  26   8.997  -5.870   0.588
  190   HD23  LEU  26          HD23      LEU  26   7.694  -4.719   0.230
  191    H    SER  27           HN       SER  27   9.950  -9.157   2.886
  192    HA   SER  27           HA       SER  27   9.567 -11.017   4.005
  193    HB2  SER  27           HB2      SER  27  11.517  -9.696   5.889
  194    HB3  SER  27           HB1      SER  27  11.002 -11.384   6.053
  195    HG   SER  27           HG       SER  27  12.289 -10.279   3.710
  196    H    GLY  28           HN       GLY  28   9.668  -9.020   6.982
  197    HA2  GLY  28           HA2      GLY  28   6.954  -9.990   7.488
  198    HA3  GLY  28           HA1      GLY  28   8.236 -10.341   8.628
  199    H    ASP  29           HN       ASP  29   5.767  -8.802   8.776
  200    HA   ASP  29           HA       ASP  29   4.885  -6.957   9.658
  201    HB2  ASP  29           HB2      ASP  29   7.201  -7.515  11.488
  202    HB3  ASP  29           HB1      ASP  29   5.900  -6.395  11.894
  203    H    PHE  30           HN       PHE  30   5.830  -5.887   7.524
  204    HA   PHE  30           HA       PHE  30   7.515  -3.642   8.079
  205    HB2  PHE  30           HB2      PHE  30   7.174  -3.111   5.708
  206    HB3  PHE  30           HB1      PHE  30   7.660  -4.776   5.929
  207    HD1  PHE  30           HD1      PHE  30   6.061  -6.615   5.601
  208    HD2  PHE  30           HD2      PHE  30   4.937  -2.589   4.811
  209    HE1  PHE  30           HE1      PHE  30   4.116  -7.412   4.327
  210    HE2  PHE  30           HE2      PHE  30   2.968  -3.382   3.571
  211    HZ   PHE  30           HZ       PHE  30   2.554  -5.787   3.332
  212    H    LEU  31           HN       LEU  31   4.622  -4.217   9.063
  213    HA   LEU  31           HA       LEU  31   3.027  -2.084   8.003
  214    HB2  LEU  31           HB2      LEU  31   2.638  -3.787  10.456
  215    HB3  LEU  31           HB1      LEU  31   1.436  -2.707   9.785
  216    HG   LEU  31           HG       LEU  31   2.575  -5.116   8.357
  217   HD11  LEU  31          HD11      LEU  31   0.394  -6.068   8.649
  218   HD12  LEU  31          HD12      LEU  31  -0.119  -4.660   9.587
  219   HD13  LEU  31          HD13      LEU  31   1.130  -5.740  10.217
  220   HD21  LEU  31          HD21      LEU  31   1.962  -3.337   6.820
  221   HD22  LEU  31          HD22      LEU  31   0.385  -3.194   7.596
  222   HD23  LEU  31          HD23      LEU  31   0.812  -4.677   6.722
  223    H    ASP  32           HN       ASP  32   5.119  -2.488  10.764
  224    HA   ASP  32           HA       ASP  32   4.531   0.240  11.637
  225    HB2  ASP  32           HB2      ASP  32   5.793  -2.122  12.978
  226    HB3  ASP  32           HB1      ASP  32   6.185  -0.506  13.550
  227    H    LEU  33           HN       LEU  33   6.295  -1.063   9.428
  228    HA   LEU  33           HA       LEU  33   8.784   0.381   9.828
  229    HB2  LEU  33           HB2      LEU  33   7.713  -1.603   7.883
  230    HB3  LEU  33           HB1      LEU  33   9.061  -0.677   7.331
  231    HG   LEU  33           HG       LEU  33   8.950  -2.622   9.642
  232   HD11  LEU  33          HD11      LEU  33  10.617  -3.827   8.284
  233   HD12  LEU  33          HD12      LEU  33  10.479  -2.570   7.058
  234   HD13  LEU  33          HD13      LEU  33   9.092  -3.598   7.413
  235   HD21  LEU  33          HD21      LEU  33  11.357  -2.197   9.910
  236   HD22  LEU  33          HD22      LEU  33  10.390  -0.775  10.294
  237   HD23  LEU  33          HD23      LEU  33  11.232  -0.888   8.733
  238    H    ARG  34           HN       ARG  34   9.227   2.209   8.724
  239    HA   ARG  34           HA       ARG  34   6.880   3.662   7.825
  240    HB2  ARG  34           HB2      ARG  34   9.749   4.604   7.934
  241    HB3  ARG  34           HB1      ARG  34   8.330   5.614   7.759
  242    HG2  ARG  34           HG2      ARG  34   7.605   5.033  10.011
  243    HG3  ARG  34           HG1      ARG  34   8.956   3.920  10.177
  244    HD2  ARG  34           HD2      ARG  34   9.155   6.926   9.846
  245    HD3  ARG  34           HD1      ARG  34   9.508   5.974  11.302
  246    HE   ARG  34           HE       ARG  34  11.296   4.906  10.000
  247   HH11  ARG  34          HH11      ARG  34  10.311   8.233   9.156
  248   HH12  ARG  34          HH12      ARG  34  11.710   8.517   8.208
  249   HH21  ARG  34          HH21      ARG  34  13.187   5.383   8.716
  250   HH22  ARG  34          HH22      ARG  34  13.295   6.950   7.973
  251    H    PHE  35           HN       PHE  35   6.637   4.612   5.762
  252    HA   PHE  35           HA       PHE  35   7.413   3.034   3.570
  253    HB2  PHE  35           HB2      PHE  35   6.534   5.927   3.515
  254    HB3  PHE  35           HB1      PHE  35   6.595   4.830   2.141
  255    HD1  PHE  35           HD2      PHE  35   5.123   2.757   2.172
  256    HD2  PHE  35           HD1      PHE  35   4.610   6.002   4.874
  257    HE1  PHE  35           HE2      PHE  35   2.832   2.004   2.650
  258    HE2  PHE  35           HE1      PHE  35   2.318   5.240   5.348
  259    HZ   PHE  35           HZ       PHE  35   1.434   3.243   4.230
  260    H    GLU  36           HN       GLU  36   8.608   6.197   4.569
  261    HA   GLU  36           HA       GLU  36  10.673   6.698   2.809
  262    HB2  GLU  36           HB2      GLU  36   9.928   8.209   4.569
  263    HB3  GLU  36           HB1      GLU  36  10.554   7.109   5.790
  264    HG2  GLU  36           HG2      GLU  36  12.828   7.470   4.571
  265    HG3  GLU  36           HG1      GLU  36  12.049   8.928   3.951
  266    H    ASP  37           HN       ASP  37  10.545   4.582   5.581
  267    HA   ASP  37           HA       ASP  37  13.319   4.203   6.019
  268    HB2  ASP  37           HB2      ASP  37  11.228   3.941   7.540
  269    HB3  ASP  37           HB1      ASP  37  11.169   2.315   6.879
  270    H    ILE  38           HN       ILE  38  10.835   2.550   4.185
  271    HA   ILE  38           HA       ILE  38  12.726   0.490   3.419
  272    HB   ILE  38           HB       ILE  38  10.753  -0.647   2.303
  273   HG12  ILE  38          HG12      ILE  38   9.196   1.452   3.824
  274   HG13  ILE  38          HG11      ILE  38   9.317   1.355   2.084
  275   HG21  ILE  38          HG21      ILE  38   9.814  -1.491   4.369
  276   HG22  ILE  38          HG22      ILE  38  10.606  -0.162   5.260
  277   HG23  ILE  38          HG23      ILE  38  11.575  -1.372   4.431
  278   HD11  ILE  38          HD11      ILE  38   7.203   0.484   2.902
  279   HD12  ILE  38          HD12      ILE  38   8.052  -0.687   3.911
  280   HD13  ILE  38          HD13      ILE  38   8.144  -0.803   2.146
  281    H    GLY  39           HN       GLY  39  12.535   3.359   2.363
  282    HA2  GLY  39           HA2      GLY  39  13.530   4.186   0.424
  283    HA3  GLY  39           HA1      GLY  39  13.425   2.581  -0.266
  284    H    TYR  40           HN       TYR  40  10.537   4.113   0.983
  285    HA   TYR  40           HA       TYR  40   9.767   4.658  -1.781
  286    HB2  TYR  40           HB2      TYR  40   8.149   3.430   0.424
  287    HB3  TYR  40           HB1      TYR  40   7.360   4.235  -0.925
  288    HD1  TYR  40           HD1      TYR  40   7.825   3.341  -3.266
  289    HD2  TYR  40           HD2      TYR  40   8.949   1.266   0.253
  290    HE1  TYR  40           HE1      TYR  40   8.018   1.288  -4.563
  291    HE2  TYR  40           HE2      TYR  40   9.164  -0.806  -0.990
  292    HH   TYR  40           HH       TYR  40   9.367  -0.970  -4.253
  293    H    ASP  41           HN       ASP  41   9.914   6.739  -2.021
  294    HA   ASP  41           HA       ASP  41   9.282   8.556   0.109
  295    HB2  ASP  41           HB2      ASP  41   9.923   9.126  -2.800
  296    HB3  ASP  41           HB1      ASP  41   9.712  10.367  -1.578
  297    H    SER  42           HN       SER  42   8.133   9.158  -3.129
  298    HA   SER  42           HA       SER  42   5.388   8.729  -2.215
  299    HB2  SER  42           HB2      SER  42   4.628  10.856  -2.997
  300    HB3  SER  42           HB1      SER  42   5.950  11.113  -1.831
  301    H    LEU  43           HN       LEU  43   7.334   9.812  -4.958
  302    HA   LEU  43           HA       LEU  43   5.799   9.204  -7.140
  303    HB2  LEU  43           HB2      LEU  43   8.046  10.177  -7.250
  304    HB3  LEU  43           HB1      LEU  43   8.745   8.620  -6.839
  305    HG   LEU  43           HG       LEU  43   7.721   7.737  -8.964
  306   HD11  LEU  43          HD11      LEU  43   6.026   9.413  -9.288
  307   HD12  LEU  43          HD12      LEU  43   7.104   9.378 -10.694
  308   HD13  LEU  43          HD13      LEU  43   7.254  10.654  -9.487
  309   HD21  LEU  43          HD21      LEU  43   9.449   8.689 -10.423
  310   HD22  LEU  43          HD22      LEU  43  10.089   8.242  -8.853
  311   HD23  LEU  43          HD23      LEU  43   9.778   9.942  -9.227
  312    H    ALA  44           HN       ALA  44   8.065   6.966  -5.618
  313    HA   ALA  44           HA       ALA  44   7.206   4.715  -7.077
  314    HB1  ALA  44           HB1      ALA  44   9.448   4.904  -6.162
  315    HB2  ALA  44           HB2      ALA  44   8.654   3.439  -5.607
  316    HB3  ALA  44           HB3      ALA  44   8.800   4.825  -4.524
  317    H    LEU  45           HN       LEU  45   5.910   6.284  -4.313
  318    HA   LEU  45           HA       LEU  45   4.827   3.869  -3.183
  319    HB2  LEU  45           HB2      LEU  45   5.712   5.923  -1.899
  320    HB3  LEU  45           HB1      LEU  45   4.172   6.665  -2.298
  321    HG   LEU  45           HG       LEU  45   4.491   4.123  -0.679
  322   HD11  LEU  45          HD11      LEU  45   3.947   5.483   1.244
  323   HD12  LEU  45          HD12      LEU  45   4.014   6.940   0.241
  324   HD13  LEU  45          HD13      LEU  45   5.471   5.957   0.495
  325   HD21  LEU  45          HD21      LEU  45   2.126   5.943  -1.051
  326   HD22  LEU  45          HD22      LEU  45   2.166   4.522  -0.006
  327   HD23  LEU  45          HD23      LEU  45   2.300   4.337  -1.760
  328    H    MET  46           HN       MET  46   3.552   6.786  -4.962
  329    HA   MET  46           HA       MET  46   0.910   5.903  -4.774
  330    HB2  MET  46           HB2      MET  46   2.188   7.715  -6.804
  331    HB3  MET  46           HB1      MET  46   0.463   7.331  -6.841
  332    HG2  MET  46           HG2      MET  46   0.353   8.170  -4.485
  333    HG3  MET  46           HG1      MET  46   1.999   8.754  -4.691
  334    HE1  MET  46           HE1      MET  46  -1.614  10.223  -7.160
  335    HE2  MET  46           HE2      MET  46  -1.713   9.005  -5.883
  336    HE3  MET  46           HE3      MET  46  -0.836   8.650  -7.377
  337    H    GLU  47           HN       GLU  47   3.375   4.894  -7.018
  338    HA   GLU  47           HA       GLU  47   1.777   3.468  -8.811
  339    HB2  GLU  47           HB2      GLU  47   4.609   3.032  -7.862
  340    HB3  GLU  47           HB1      GLU  47   3.868   1.967  -9.030
  341    HG2  GLU  47           HG2      GLU  47   4.047   4.948  -9.383
  342    HG3  GLU  47           HG1      GLU  47   5.288   3.852  -9.963
  343    H    THR  48           HN       THR  48   2.883   2.567  -5.585
  344    HA   THR  48           HA       THR  48   2.041  -0.123  -5.662
  345    HB   THR  48           HB       THR  48   2.348   1.750  -3.302
  346    HG1  THR  48           HG1      THR  48   4.265  -0.082  -4.357
  347   HG21  THR  48          HG21      THR  48   1.147  -0.333  -2.791
  348   HG22  THR  48          HG22      THR  48   2.733  -0.301  -2.022
  349   HG23  THR  48          HG23      THR  48   2.475  -1.266  -3.483
  350    H    ALA  49           HN       ALA  49   0.526   2.886  -4.489
  351    HA   ALA  49           HA       ALA  49  -1.857   1.733  -3.484
  352    HB1  ALA  49           HB1      ALA  49  -1.444   4.531  -4.587
  353    HB2  ALA  49           HB2      ALA  49  -1.144   4.039  -2.930
  354    HB3  ALA  49           HB3      ALA  49  -2.782   4.004  -3.572
  355    H    ALA  50           HN       ALA  50  -1.119   3.167  -6.639
  356    HA   ALA  50           HA       ALA  50  -3.643   2.771  -7.788
  357    HB1  ALA  50           HB1      ALA  50  -0.976   2.943  -9.191
  358    HB2  ALA  50           HB2      ALA  50  -1.988   4.319  -8.739
  359    HB3  ALA  50           HB3      ALA  50  -2.561   3.148  -9.934
  360    H    ARG  51           HN       ARG  51  -0.962   0.644  -7.352
  361    HA   ARG  51           HA       ARG  51  -1.622  -1.386  -9.212
  362    HB2  ARG  51           HB2      ARG  51   0.572  -1.131  -8.043
  363    HB3  ARG  51           HB1      ARG  51  -0.198  -1.672  -6.563
  364    HG2  ARG  51           HG2      ARG  51   1.080  -3.478  -7.559
  365    HG3  ARG  51           HG1      ARG  51  -0.648  -3.835  -7.617
  366    HD2  ARG  51           HD2      ARG  51  -0.770  -3.285  -9.929
  367    HD3  ARG  51           HD1      ARG  51   0.852  -2.605  -9.927
  368    HE   ARG  51           HE       ARG  51   1.553  -4.991  -9.366
  369   HH11  ARG  51          HH11      ARG  51  -1.332  -4.372 -11.380
  370   HH12  ARG  51          HH12      ARG  51  -1.118  -5.763 -12.315
  371   HH21  ARG  51          HH21      ARG  51   1.853  -6.891 -10.730
  372   HH22  ARG  51          HH22      ARG  51   0.703  -7.204 -11.950
  373    H    LEU  52           HN       LEU  52  -2.732  -0.687  -5.957
  374    HA   LEU  52           HA       LEU  52  -4.204  -3.160  -5.758
  375    HB2  LEU  52           HB2      LEU  52  -4.134  -0.731  -4.003
  376    HB3  LEU  52           HB1      LEU  52  -5.103  -2.146  -3.652
  377    HG   LEU  52           HG       LEU  52  -2.089  -2.067  -3.843
  378   HD11  LEU  52          HD11      LEU  52  -2.167  -2.482  -1.422
  379   HD12  LEU  52          HD12      LEU  52  -3.933  -2.375  -1.465
  380   HD13  LEU  52          HD13      LEU  52  -2.954  -0.954  -1.836
  381   HD21  LEU  52          HD21      LEU  52  -2.193  -4.386  -3.052
  382   HD22  LEU  52          HD22      LEU  52  -3.038  -4.194  -4.588
  383   HD23  LEU  52          HD23      LEU  52  -3.956  -4.317  -3.098
  384    H    GLU  53           HN       GLU  53  -4.911   0.254  -6.218
  385    HA   GLU  53           HA       GLU  53  -7.693   0.171  -6.274
  386    HB2  GLU  53           HB2      GLU  53  -5.871   1.889  -7.956
  387    HB3  GLU  53           HB1      GLU  53  -7.584   2.174  -7.702
  388    HG2  GLU  53           HG2      GLU  53  -7.132   2.558  -5.334
  389    HG3  GLU  53           HG1      GLU  53  -5.415   2.296  -5.641
  390    H    SER  54           HN       SER  54  -5.388  -0.472  -8.900
  391    HA   SER  54           HA       SER  54  -7.410  -0.703 -10.891
  392    HB2  SER  54           HB2      SER  54  -5.491  -1.720 -12.234
  393    HB3  SER  54           HB1      SER  54  -5.284  -0.064 -11.667
  394    HG   SER  54           HG       SER  54  -3.835  -0.689 -10.247
  395    H    ARG  55           HN       ARG  55  -5.996  -2.998  -8.690
  396    HA   ARG  55           HA       ARG  55  -7.023  -5.258 -10.177
  397    HB2  ARG  55           HB2      ARG  55  -4.986  -5.612  -8.895
  398    HB3  ARG  55           HB1      ARG  55  -5.807  -5.147  -7.410
  399    HG2  ARG  55           HG2      ARG  55  -7.325  -7.104  -7.681
  400    HG3  ARG  55           HG1      ARG  55  -6.383  -7.597  -9.085
  401    HD2  ARG  55           HD2      ARG  55  -4.424  -7.860  -7.672
  402    HD3  ARG  55           HD1      ARG  55  -5.332  -7.265  -6.285
  403    HE   ARG  55           HE       ARG  55  -6.635  -9.494  -7.469
  404   HH11  ARG  55          HH11      ARG  55  -4.045  -8.647  -5.194
  405   HH12  ARG  55          HH12      ARG  55  -3.899 -10.123  -4.475
  406   HH21  ARG  55          HH21      ARG  55  -6.532 -11.632  -6.473
  407   HH22  ARG  55          HH22      ARG  55  -5.382 -11.943  -5.270
  408    H    TYR  56           HN       TYR  56  -7.785  -3.612  -7.151
  409    HA   TYR  56           HA       TYR  56 -10.026  -5.347  -6.738
  410    HB2  TYR  56           HB2      TYR  56  -8.885  -3.124  -5.009
  411    HB3  TYR  56           HB1      TYR  56 -10.287  -4.095  -4.586
  412    HD1  TYR  56           HD2      TYR  56  -6.657  -4.240  -5.172
  413    HD2  TYR  56           HD1      TYR  56 -10.074  -6.353  -3.796
  414    HE1  TYR  56           HE2      TYR  56  -5.187  -5.943  -4.177
  415    HE2  TYR  56           HE1      TYR  56  -8.624  -8.071  -2.781
  416    HH   TYR  56           HH       TYR  56  -6.425  -8.894  -2.772
  417    H    GLY  57           HN       GLY  57  -9.506  -2.332  -8.183
  418    HA2  GLY  57           HA2      GLY  57 -10.997  -1.086  -9.416
  419    HA3  GLY  57           HA1      GLY  57 -12.296  -2.158  -8.867
  420    H    VAL  58           HN       VAL  58  -9.984   0.074  -7.316
  421    HA   VAL  58           HA       VAL  58 -12.284   1.290  -6.009
  422    HB   VAL  58           HB       VAL  58 -11.326   1.399  -3.879
  423   HG11  VAL  58          HG11      VAL  58 -12.112  -0.844  -4.366
  424   HG12  VAL  58          HG12      VAL  58 -10.761  -0.853  -3.204
  425   HG13  VAL  58          HG13      VAL  58 -10.464  -1.221  -4.911
  426   HG21  VAL  58          HG21      VAL  58  -9.046   0.783  -3.241
  427   HG22  VAL  58          HG22      VAL  58  -9.036   2.108  -4.379
  428   HG23  VAL  58          HG23      VAL  58  -8.647   0.463  -4.932
  429    H    SER  59           HN       SER  59 -11.240   3.398  -4.714
  430    HA   SER  59           HA       SER  59  -9.314   4.758  -6.324
  431    HB2  SER  59           HB2      SER  59 -11.549   5.188  -7.452
  432    HB3  SER  59           HB1      SER  59 -12.110   5.892  -5.936
  433    HG   SER  59           HG       SER  59  -9.736   6.950  -6.765
  434    H    ILE  60           HN       ILE  60  -8.042   5.644  -4.873
  435    HA   ILE  60           HA       ILE  60  -8.973   5.901  -2.120
  436    HB   ILE  60           HB       ILE  60  -6.209   6.294  -3.298
  437   HG12  ILE  60          HG12      ILE  60  -6.975   4.015  -3.531
  438   HG13  ILE  60          HG11      ILE  60  -5.707   4.106  -2.304
  439   HG21  ILE  60          HG21      ILE  60  -6.499   7.524  -1.196
  440   HG22  ILE  60          HG22      ILE  60  -5.390   6.163  -1.011
  441   HG23  ILE  60          HG23      ILE  60  -7.043   6.046  -0.411
  442   HD11  ILE  60          HD11      ILE  60  -7.441   4.008  -0.577
  443   HD12  ILE  60          HD12      ILE  60  -7.461   2.590  -1.631
  444   HD13  ILE  60          HD13      ILE  60  -8.674   3.863  -1.839
  445    HA   PRO  61           HA       PRO  61  -9.653  10.292  -2.630
  446    HB2  PRO  61           HB2      PRO  61  -9.936  10.345   0.303
  447    HB3  PRO  61           HB1      PRO  61 -11.143  10.690  -0.943
  448    HG2  PRO  61           HG2      PRO  61 -11.272   8.492   0.596
  449    HG3  PRO  61           HG1      PRO  61 -11.819   8.490  -1.079
  450    HD2  PRO  61           HD2      PRO  61  -9.250   7.492   0.066
  451    HD3  PRO  61           HD1      PRO  61 -10.284   6.739  -1.162
  452    H    ASP  62           HN       ASP  62  -8.242  11.880  -2.687
  453    HA   ASP  62           HA       ASP  62  -5.543  11.773  -2.198
  454    HB2  ASP  62           HB2      ASP  62  -7.034  14.384  -1.979
  455    HB3  ASP  62           HB1      ASP  62  -5.481  14.073  -2.716
  456    H    ASP  63           HN       ASP  63  -7.961  13.466  -0.366
  457    HA   ASP  63           HA       ASP  63  -6.607  14.641   1.715
  458    HB2  ASP  63           HB2      ASP  63  -9.338  13.377   1.948
  459    HB3  ASP  63           HB1      ASP  63  -8.686  14.730   2.854
  460    H    VAL  64           HN       VAL  64  -7.778  11.367   1.433
  461    HA   VAL  64           HA       VAL  64  -7.362  10.743   4.229
  462    HB   VAL  64           HB       VAL  64  -8.351   9.025   1.934
  463   HG11  VAL  64          HG11      VAL  64  -9.162   7.502   3.648
  464   HG12  VAL  64          HG12      VAL  64  -8.484   8.519   4.910
  465   HG13  VAL  64          HG13      VAL  64  -7.411   7.683   3.773
  466   HG21  VAL  64          HG21      VAL  64  -9.867  10.477   4.103
  467   HG22  VAL  64          HG22      VAL  64 -10.581   9.367   2.931
  468   HG23  VAL  64          HG23      VAL  64  -9.865  10.878   2.385
  469    H    ALA  65           HN       ALA  65  -5.962   9.941   1.115
  470    HA   ALA  65           HA       ALA  65  -4.258   7.840   1.896
  471    HB1  ALA  65           HB1      ALA  65  -3.822   9.823  -0.311
  472    HB2  ALA  65           HB2      ALA  65  -4.844   8.390  -0.407
  473    HB3  ALA  65           HB3      ALA  65  -3.095   8.220  -0.161
  474    H    GLY  66           HN       GLY  66  -3.692  11.321   1.808
  475    HA2  GLY  66           HA2      GLY  66  -0.895  10.993   2.417
  476    HA3  GLY  66           HA1      GLY  66  -1.745  12.523   2.232
  477    H    ARG  67           HN       ARG  67  -2.501   9.901   4.462
  478    HA   ARG  67           HA       ARG  67  -1.645  11.642   6.706
  479    HB2  ARG  67           HB2      ARG  67  -4.137   9.933   6.722
  480    HB3  ARG  67           HB1      ARG  67  -3.581  10.985   8.010
  481    HG2  ARG  67           HG2      ARG  67  -3.948  12.920   6.547
  482    HG3  ARG  67           HG1      ARG  67  -4.576  11.844   5.298
  483    HD2  ARG  67           HD2      ARG  67  -6.216  11.013   7.091
  484    HD3  ARG  67           HD1      ARG  67  -5.689  12.409   8.028
  485    HE   ARG  67           HE       ARG  67  -6.534  13.056   5.385
  486   HH11  ARG  67          HH11      ARG  67  -7.506  12.774   8.780
  487   HH12  ARG  67          HH12      ARG  67  -9.087  13.326   8.544
  488   HH21  ARG  67          HH21      ARG  67  -8.706  13.960   5.042
  489   HH22  ARG  67          HH22      ARG  67  -9.800  14.021   6.347
  490    H    VAL  68           HN       VAL  68  -0.890   8.916   5.209
  491    HA   VAL  68           HA       VAL  68  -0.726   7.282   7.638
  492    HB   VAL  68           HB       VAL  68  -0.424   5.311   6.154
  493   HG11  VAL  68          HG11      VAL  68  -2.650   5.851   6.876
  494   HG12  VAL  68          HG12      VAL  68  -2.663   5.183   5.241
  495   HG13  VAL  68          HG13      VAL  68  -2.867   6.927   5.489
  496   HG21  VAL  68          HG21      VAL  68  -0.832   5.473   3.743
  497   HG22  VAL  68          HG22      VAL  68   0.599   6.394   4.217
  498   HG23  VAL  68          HG23      VAL  68  -0.916   7.231   3.875
  499    H    ASP  69           HN       ASP  69   1.208   6.966   8.595
  500    HA   ASP  69           HA       ASP  69   3.482   7.277   6.805
  501    HB2  ASP  69           HB2      ASP  69   4.969   7.947   8.621
  502    HB3  ASP  69           HB1      ASP  69   3.585   9.015   8.551
  503    H    THR  70           HN       THR  70   1.774   5.080   8.552
  504    HA   THR  70           HA       THR  70   3.884   3.099   8.069
  505    HB   THR  70           HB       THR  70   2.842   1.701   9.862
  506    HG1  THR  70           HG1      THR  70   1.264   4.035  10.249
  507   HG21  THR  70          HG21      THR  70   4.793   3.071  10.366
  508   HG22  THR  70          HG22      THR  70   3.712   2.998  11.771
  509   HG23  THR  70          HG23      THR  70   3.752   4.438  10.757
  510    HA   PRO  71           HA       PRO  71   1.100   1.174   5.118
  511    HB2  PRO  71           HB2      PRO  71   2.352  -1.363   6.032
  512    HB3  PRO  71           HB1      PRO  71   2.218  -0.693   4.399
  513    HG2  PRO  71           HG2      PRO  71   4.524  -0.669   5.709
  514    HG3  PRO  71           HG1      PRO  71   4.051   0.717   4.702
  515    HD2  PRO  71           HD2      PRO  71   3.945   0.394   7.679
  516    HD3  PRO  71           HD1      PRO  71   4.415   1.810   6.715
  517    H    ARG  72           HN       ARG  72   1.335   0.258   8.423
  518    HA   ARG  72           HA       ARG  72  -0.740  -1.640   8.648
  519    HB2  ARG  72           HB2      ARG  72   0.947  -1.006  10.410
  520    HB3  ARG  72           HB1      ARG  72   0.042   0.474  10.643
  521    HG2  ARG  72           HG2      ARG  72  -1.913  -0.857  11.283
  522    HG3  ARG  72           HG1      ARG  72  -0.926  -2.330  11.160
  523    HD2  ARG  72           HD2      ARG  72  -0.983  -1.629  13.464
  524    HD3  ARG  72           HD1      ARG  72   0.630  -1.313  12.833
  525    HE   ARG  72           HE       ARG  72  -1.338   0.824  12.822
  526   HH11  ARG  72          HH11      ARG  72   1.804  -0.440  13.973
  527   HH12  ARG  72          HH12      ARG  72   2.226   0.926  14.826
  528   HH21  ARG  72          HH21      ARG  72  -0.699   2.825  13.965
  529   HH22  ARG  72          HH22      ARG  72   0.725   2.876  14.848
  530    H    GLU  73           HN       GLU  73  -0.700   1.897   8.825
  531    HA   GLU  73           HA       GLU  73  -3.451   2.249   9.369
  532    HB2  GLU  73           HB2      GLU  73  -1.426   4.181   8.185
  533    HB3  GLU  73           HB1      GLU  73  -2.985   4.615   8.869
  534    HG2  GLU  73           HG2      GLU  73  -2.303   4.007  11.055
  535    HG3  GLU  73           HG1      GLU  73  -0.838   3.233  10.456
  536    H    LEU  74           HN       LEU  74  -1.508   1.900   6.556
  537    HA   LEU  74           HA       LEU  74  -3.337   2.859   4.568
  538    HB2  LEU  74           HB2      LEU  74  -0.742   2.499   4.489
  539    HB3  LEU  74           HB1      LEU  74  -1.141   0.845   4.103
  540    HG   LEU  74           HG       LEU  74  -1.814   3.268   2.433
  541   HD11  LEU  74          HD11      LEU  74   0.531   2.790   2.442
  542   HD12  LEU  74          HD12      LEU  74  -0.162   2.364   0.874
  543   HD13  LEU  74          HD13      LEU  74   0.224   1.098   2.052
  544   HD21  LEU  74          HD21      LEU  74  -3.462   1.490   2.152
  545   HD22  LEU  74          HD22      LEU  74  -2.175   0.339   1.795
  546   HD23  LEU  74          HD23      LEU  74  -2.483   1.685   0.696
  547    H    LEU  75           HN       LEU  75  -2.677  -0.300   6.019
  548    HA   LEU  75           HA       LEU  75  -4.157  -1.861   4.215
  549    HB2  LEU  75           HB2      LEU  75  -2.498  -2.716   5.901
  550    HB3  LEU  75           HB1      LEU  75  -3.672  -2.436   7.147
  551    HG   LEU  75           HG       LEU  75  -5.208  -4.057   5.992
  552   HD11  LEU  75          HD11      LEU  75  -4.273  -3.935   3.756
  553   HD12  LEU  75          HD12      LEU  75  -4.273  -5.586   4.375
  554   HD13  LEU  75          HD13      LEU  75  -2.773  -4.659   4.343
  555   HD21  LEU  75          HD21      LEU  75  -3.877  -4.732   7.925
  556   HD22  LEU  75          HD22      LEU  75  -2.523  -5.145   6.857
  557   HD23  LEU  75          HD23      LEU  75  -4.040  -6.037   6.757
  558    H    ASP  76           HN       ASP  76  -5.125  -0.550   7.426
  559    HA   ASP  76           HA       ASP  76  -7.799  -1.388   7.393
  560    HB2  ASP  76           HB2      ASP  76  -6.436   0.892   8.787
  561    HB3  ASP  76           HB1      ASP  76  -8.186   0.831   8.786
  562    H    LEU  77           HN       LEU  77  -6.299   1.354   5.926
  563    HA   LEU  77           HA       LEU  77  -8.595   2.823   5.220
  564    HB2  LEU  77           HB2      LEU  77  -6.103   3.513   5.232
  565    HB3  LEU  77           HB1      LEU  77  -6.007   2.755   3.660
  566    HG   LEU  77           HG       LEU  77  -7.777   5.109   4.326
  567   HD11  LEU  77          HD11      LEU  77  -5.461   5.686   4.608
  568   HD12  LEU  77          HD12      LEU  77  -6.110   6.457   3.169
  569   HD13  LEU  77          HD13      LEU  77  -5.072   5.025   3.014
  570   HD21  LEU  77          HD21      LEU  77  -7.904   5.405   1.891
  571   HD22  LEU  77          HD22      LEU  77  -8.536   3.823   2.376
  572   HD23  LEU  77          HD23      LEU  77  -6.926   3.946   1.669
  573    H    ILE  78           HN       ILE  78  -6.704   0.414   3.421
  574    HA   ILE  78           HA       ILE  78  -8.330   0.496   1.048
  575    HB   ILE  78           HB       ILE  78  -6.422  -1.664   2.032
  576   HG12  ILE  78          HG12      ILE  78  -5.319   0.541   1.532
  577   HG13  ILE  78          HG11      ILE  78  -4.801  -0.745   0.454
  578   HG21  ILE  78          HG21      ILE  78  -6.406  -2.512  -0.285
  579   HG22  ILE  78          HG22      ILE  78  -7.670  -1.352  -0.702
  580   HG23  ILE  78          HG23      ILE  78  -7.998  -2.630   0.463
  581   HD11  ILE  78          HD11      ILE  78  -6.278   0.103  -1.289
  582   HD12  ILE  78          HD12      ILE  78  -5.148   1.332  -0.769
  583   HD13  ILE  78          HD13      ILE  78  -6.825   1.385  -0.219
  584    H    ASN  79           HN       ASN  79  -8.057  -1.751   3.756
  585    HA   ASN  79           HA       ASN  79  -9.998  -3.628   3.028
  586    HB2  ASN  79           HB2      ASN  79  -9.073  -2.735   5.764
  587    HB3  ASN  79           HB1      ASN  79 -10.192  -4.053   5.532
  588   HD21  ASN  79          HD21      ASN  79  -8.669  -4.995   3.089
  589   HD22  ASN  79          HD22      ASN  79  -7.266  -5.755   3.755
  590    H    GLY  80           HN       GLY  80 -10.316  -0.616   4.892
  591    HA2  GLY  80           HA2      GLY  80 -13.046  -0.924   5.555
  592    HA3  GLY  80           HA1      GLY  80 -12.081   0.537   5.629
  593    H    ALA  81           HN       ALA  81 -11.360   0.710   2.910
  594    HA   ALA  81           HA       ALA  81 -13.609   2.113   1.979
  595    HB1  ALA  81           HB1      ALA  81 -12.274   2.592  -0.001
  596    HB2  ALA  81           HB2      ALA  81 -11.105   1.336   0.473
  597    HB3  ALA  81           HB3      ALA  81 -11.318   2.762   1.470
  598    H    LEU  82           HN       LEU  82 -12.341  -1.080   1.319
  599    HA   LEU  82           HA       LEU  82 -13.900  -1.804  -0.888
  600    HB2  LEU  82           HB2      LEU  82 -12.954  -3.497   1.426
  601    HB3  LEU  82           HB1      LEU  82 -13.720  -4.141  -0.008
  602    HG   LEU  82           HG       LEU  82 -11.111  -2.615  -0.005
  603   HD11  LEU  82          HD11      LEU  82 -10.065  -4.800  -0.364
  604   HD12  LEU  82          HD12      LEU  82 -11.641  -5.577  -0.139
  605   HD13  LEU  82          HD13      LEU  82 -10.885  -4.707   1.201
  606   HD21  LEU  82          HD21      LEU  82 -12.345  -2.484  -2.107
  607   HD22  LEU  82          HD22      LEU  82 -12.486  -4.265  -2.116
  608   HD23  LEU  82          HD23      LEU  82 -10.912  -3.509  -2.276
  609    H    ALA  83           HN       ALA  83 -14.787  -1.642   2.514
  610    HA   ALA  83           HA       ALA  83 -17.263  -3.047   2.165
  611    HB1  ALA  83           HB1      ALA  83 -17.742  -2.427   4.456
  612    HB2  ALA  83           HB2      ALA  83 -16.377  -1.311   4.462
  613    HB3  ALA  83           HB3      ALA  83 -16.100  -3.059   4.303
  614    H    GLU  84           HN       GLU  84 -16.206   0.248   2.030
  615    HA   GLU  84           HA       GLU  84 -18.860   1.358   2.128
  616    HB2  GLU  84           HB2      GLU  84 -16.223   2.599   1.343
  617    HB3  GLU  84           HB1      GLU  84 -17.728   3.481   1.571
  618    HG2  GLU  84           HG2      GLU  84 -16.243   1.909   3.650
  619    HG3  GLU  84           HG1      GLU  84 -16.205   3.657   3.478
  620    H    ALA  85           HN       ALA  85 -16.790   0.059  -0.196
  621    HA   ALA  85           HA       ALA  85 -18.035   1.326  -2.467
  622    HB1  ALA  85           HB1      ALA  85 -15.673   0.683  -2.556
  623    HB2  ALA  85           HB2      ALA  85 -16.614  -0.140  -3.809
  624    HB3  ALA  85           HB3      ALA  85 -16.128  -1.009  -2.355
  625    H    ALA  86           HN       ALA  86 -17.807  -1.980  -1.197
  626    HA   ALA  86           HA       ALA  86 -19.076  -3.795  -1.323
  627    HB1  ALA  86           HB1      ALA  86 -21.482  -3.552  -1.052
  628    HB2  ALA  86           HB2      ALA  86 -21.386  -1.867  -1.548
  629    HB3  ALA  86           HB3      ALA  86 -20.658  -2.376  -0.026
  630   H28A  SXR 101          H28A      SXR  42   5.161  10.727  -6.557
  631   H28B  SXR 101          H28B      SXR  42   3.862  11.185  -5.488
  632   H30A  SXR 101          H30A      SXR  42   1.991  11.115  -8.257
  633   H30B  SXR 101          H30B      SXR  42   2.946  10.051  -7.220
  634   H30C  SXR 101          H30C      SXR  42   3.477  10.388  -8.874
  635   H31A  SXR 101          H31A      SXR  42   1.828  12.885  -7.489
  636   H31B  SXR 101          H31B      SXR  42   3.163  14.042  -7.442
  637   H31C  SXR 101          H31C      SXR  42   2.734  13.133  -5.995
  638   H32A  SXR 101          H32A      SXR  42   5.528  11.840  -8.800
  639   H33A  SXR 101          H33A      SXR  42   5.473  13.578  -7.186
  640   H36A  SXR 101          H36A      SXR  42   4.125  14.762  -9.409
  641   H37A  SXR 101          H37A      SXR  42   3.764  15.379 -11.799
  642   H37B  SXR 101          H37B      SXR  42   2.769  13.919 -11.919
  643   H38A  SXR 101          H38A      SXR  42   2.159  16.330 -10.171
  644   H38B  SXR 101          H38B      SXR  42   1.486  16.040 -11.764
  645   H41A  SXR 101          H41A      SXR  42   1.255  15.346  -8.456
  646   H42A  SXR 101          H42A      SXR  42  -1.205  13.818  -8.822
  647   H42B  SXR 101          H42B      SXR  42   0.083  13.143  -7.804
  648   H43A  SXR 101          H43A      SXR  42  -1.224  15.842  -7.367
  649   H43B  SXR 101          H43B      SXR  42  -0.095  15.010  -6.266
  650   H11A  SXR 101          H11A      SXR  42   0.166   9.595   0.925
  651   H10A  SXR 101          H10A      SXR  42   0.354   7.132   1.083
  652    H9A  SXR 101           H9A      SXR  42  -0.299   5.724  -0.851
  653    H8A  SXR 101           H8A      SXR  42  -1.147   6.776  -2.923
  654    H7A  SXR 101           H7A      SXR  42  -1.329   9.239  -3.059
  655    H5A  SXR 101           H5A      SXR  42  -0.398  11.772  -0.400
  656    H5B  SXR 101           H5B      SXR  42   0.305  11.104  -1.570
  657    H4A  SXR 101           H4A      SXR  42  -2.189  10.940  -2.906
  658    H4B  SXR 101           H4B      SXR  42  -2.528  11.192  -1.454
  659    H2A  SXR 101           H2A      SXR  42  -3.421  13.586  -3.865
  660    H2B  SXR 101           H2B      SXR  42  -2.464  14.539  -3.231
  661    H1A  SXR 101           H1A      SXR  42  -0.378  13.396  -4.857
  662    H1B  SXR 101           H1B      SXR  42  -1.529  12.401  -4.855
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1 -19.496  -9.435  -1.969
    2    H2   MET   1           HT2      MET   1 -18.127 -10.289  -1.462
    3    H3   MET   1           HT3      MET   1 -17.964  -8.790  -2.219
    4    HA   MET   1           HA       MET   1 -18.891  -7.603  -0.566
    5    HB2  MET   1           HB2      MET   1 -19.663  -8.663   1.601
    6    HB3  MET   1           HB1      MET   1 -20.680  -8.956   0.203
    7    HG2  MET   1           HG2      MET   1 -19.665 -11.191  -0.019
    8    HG3  MET   1           HG1      MET   1 -18.710 -10.870   1.425
    9    HE1  MET   1           HE1      MET   1 -20.541 -13.416   1.018
   10    HE2  MET   1           HE2      MET   1 -21.329 -13.542   2.591
   11    HE3  MET   1           HE3      MET   1 -19.614 -13.134   2.492
   12    H    ALA   2           HN       ALA   2 -17.011 -10.483   0.726
   13    HA   ALA   2           HA       ALA   2 -15.324  -8.541   1.993
   14    HB1  ALA   2           HB1      ALA   2 -15.927 -10.604   3.197
   15    HB2  ALA   2           HB2      ALA   2 -14.183 -10.434   2.999
   16    HB3  ALA   2           HB3      ALA   2 -15.083 -11.554   1.971
   17    H    THR   3           HN       THR   3 -14.475  -7.513   0.299
   18    HA   THR   3           HA       THR   3 -12.581  -9.066  -1.273
   19    HB   THR   3           HB       THR   3 -14.231  -7.931  -2.683
   20    HG1  THR   3           HG1      THR   3 -11.619  -6.918  -2.732
   21   HG21  THR   3          HG21      THR   3 -13.264  -5.362  -1.416
   22   HG22  THR   3          HG22      THR   3 -14.855  -6.096  -1.197
   23   HG23  THR   3          HG23      THR   3 -14.382  -5.467  -2.775
   24    H    LEU   4           HN       LEU   4 -12.124  -8.404   1.272
   25    HA   LEU   4           HA       LEU   4 -10.382  -6.105   1.453
   26    HB2  LEU   4           HB2      LEU   4 -11.095  -8.276   3.425
   27    HB3  LEU   4           HB1      LEU   4  -9.806  -7.139   3.741
   28    HG   LEU   4           HG       LEU   4 -11.473  -5.281   3.623
   29   HD11  LEU   4          HD11      LEU   4 -13.160  -6.294   2.233
   30   HD12  LEU   4          HD12      LEU   4 -13.840  -5.765   3.773
   31   HD13  LEU   4          HD13      LEU   4 -13.517  -7.477   3.497
   32   HD21  LEU   4          HD21      LEU   4 -12.052  -7.435   5.644
   33   HD22  LEU   4          HD22      LEU   4 -12.511  -5.739   5.793
   34   HD23  LEU   4          HD23      LEU   4 -10.810  -6.193   5.768
   35    H    LEU   5           HN       LEU   5  -8.257  -6.100   1.298
   36    HA   LEU   5           HA       LEU   5  -7.146  -8.523   0.209
   37    HB2  LEU   5           HB2      LEU   5  -5.238  -7.111  -0.433
   38    HB3  LEU   5           HB1      LEU   5  -6.757  -6.721  -1.229
   39    HG   LEU   5           HG       LEU   5  -6.728  -4.892   0.751
   40   HD11  LEU   5          HD11      LEU   5  -3.880  -5.446   0.059
   41   HD12  LEU   5          HD12      LEU   5  -4.609  -5.683   1.654
   42   HD13  LEU   5          HD13      LEU   5  -4.439  -4.048   0.985
   43   HD21  LEU   5          HD21      LEU   5  -6.995  -4.465  -1.619
   44   HD22  LEU   5          HD22      LEU   5  -5.269  -4.703  -1.875
   45   HD23  LEU   5          HD23      LEU   5  -5.836  -3.345  -0.901
   46    H    THR   6           HN       THR   6  -4.854  -8.989   0.652
   47    HA   THR   6           HA       THR   6  -4.726  -9.294   3.548
   48    HB   THR   6           HB       THR   6  -3.190 -11.164   3.078
   49    HG1  THR   6           HG1      THR   6  -3.724 -10.461   0.340
   50   HG21  THR   6          HG21      THR   6  -5.749 -11.255   1.475
   51   HG22  THR   6          HG22      THR   6  -5.607 -11.601   3.197
   52   HG23  THR   6          HG23      THR   6  -4.833 -12.660   2.019
   53    H    THR   7           HN       THR   7  -2.252  -9.763   4.199
   54    HA   THR   7           HA       THR   7  -0.910  -7.270   3.885
   55    HB   THR   7           HB       THR   7   0.036  -9.800   5.260
   56    HG1  THR   7           HG1      THR   7  -1.108  -8.750   7.132
   57   HG21  THR   7          HG21      THR   7   1.654  -7.923   5.088
   58   HG22  THR   7          HG22      THR   7   1.165  -8.205   6.759
   59   HG23  THR   7          HG23      THR   7   0.478  -6.859   5.860
   60    H    ASP   8           HN       ASP   8  -0.904 -10.419   2.498
   61    HA   ASP   8           HA       ASP   8   1.781 -10.494   1.507
   62    HB2  ASP   8           HB2      ASP   8  -0.676 -11.955   0.507
   63    HB3  ASP   8           HB1      ASP   8   0.979 -12.306   0.034
   64    H    ASP   9           HN       ASP   9  -1.346  -9.548   0.262
   65    HA   ASP   9           HA       ASP   9  -0.657  -8.985  -2.394
   66    HB2  ASP   9           HB2      ASP   9  -2.726  -7.546  -0.711
   67    HB3  ASP   9           HB1      ASP   9  -2.607  -7.483  -2.458
   68    H    LEU  10           HN       LEU  10  -0.809  -6.883   0.406
   69    HA   LEU  10           HA       LEU  10   0.095  -4.556  -0.861
   70    HB2  LEU  10           HB2      LEU  10  -1.074  -4.544   1.274
   71    HB3  LEU  10           HB1      LEU  10   0.269  -5.362   2.040
   72    HG   LEU  10           HG       LEU  10   1.675  -3.380   1.707
   73   HD11  LEU  10          HD11      LEU  10   0.672  -1.283   0.915
   74   HD12  LEU  10          HD12      LEU  10  -0.817  -2.148   0.528
   75   HD13  LEU  10          HD13      LEU  10   0.664  -2.525  -0.338
   76   HD21  LEU  10          HD21      LEU  10   0.394  -3.597   3.767
   77   HD22  LEU  10          HD22      LEU  10  -0.983  -2.802   3.009
   78   HD23  LEU  10          HD23      LEU  10   0.507  -1.902   3.282
   79    H    ARG  11           HN       ARG  11   1.865  -7.087   0.874
   80    HA   ARG  11           HA       ARG  11   4.402  -5.950   0.881
   81    HB2  ARG  11           HB2      ARG  11   3.810  -8.010   2.104
   82    HB3  ARG  11           HB1      ARG  11   3.704  -8.882   0.583
   83    HG2  ARG  11           HG2      ARG  11   6.092  -8.551   0.205
   84    HG3  ARG  11           HG1      ARG  11   6.210  -7.610   1.692
   85    HD2  ARG  11           HD2      ARG  11   6.986  -9.849   2.122
   86    HD3  ARG  11           HD1      ARG  11   5.462  -9.600   2.962
   87    HE   ARG  11           HE       ARG  11   5.784 -11.099   0.451
   88   HH11  ARG  11          HH11      ARG  11   4.287 -10.755   3.662
   89   HH12  ARG  11          HH12      ARG  11   3.203 -12.063   3.452
   90   HH21  ARG  11          HH21      ARG  11   4.279 -12.970   0.240
   91   HH22  ARG  11          HH22      ARG  11   3.157 -13.255   1.492
   92    H    ARG  12           HN       ARG  12   2.940  -8.058  -1.564
   93    HA   ARG  12           HA       ARG  12   5.238  -7.965  -3.239
   94    HB2  ARG  12           HB2      ARG  12   2.436  -8.900  -3.787
   95    HB3  ARG  12           HB1      ARG  12   3.755  -9.016  -4.942
   96    HG2  ARG  12           HG2      ARG  12   5.004 -10.400  -3.302
   97    HG3  ARG  12           HG1      ARG  12   3.608 -10.326  -2.230
   98    HD2  ARG  12           HD2      ARG  12   3.611 -12.411  -3.454
   99    HD3  ARG  12           HD1      ARG  12   2.243 -11.417  -3.958
  100    HE   ARG  12           HE       ARG  12   3.970 -10.770  -5.837
  101   HH11  ARG  12          HH11      ARG  12   3.469 -14.019  -4.481
  102   HH12  ARG  12          HH12      ARG  12   3.738 -14.790  -5.982
  103   HH21  ARG  12          HH21      ARG  12   4.405 -11.818  -7.768
  104   HH22  ARG  12          HH22      ARG  12   4.403 -13.524  -7.900
  105    H    ALA  13           HN       ALA  13   2.101  -6.347  -3.354
  106    HA   ALA  13           HA       ALA  13   2.406  -5.048  -5.803
  107    HB1  ALA  13           HB1      ALA  13   0.679  -3.505  -5.053
  108    HB2  ALA  13           HB2      ALA  13   0.931  -4.013  -3.383
  109    HB3  ALA  13           HB3      ALA  13   0.285  -5.152  -4.564
  110    H    LEU  14           HN       LEU  14   3.569  -4.183  -2.638
  111    HA   LEU  14           HA       LEU  14   4.439  -1.580  -3.253
  112    HB2  LEU  14           HB2      LEU  14   4.064  -2.474  -0.977
  113    HB3  LEU  14           HB1      LEU  14   5.460  -3.507  -1.167
  114    HG   LEU  14           HG       LEU  14   6.906  -1.509  -1.300
  115   HD11  LEU  14          HD11      LEU  14   5.276   0.077  -2.181
  116   HD12  LEU  14          HD12      LEU  14   5.981   0.670  -0.675
  117   HD13  LEU  14          HD13      LEU  14   4.357  -0.012  -0.679
  118   HD21  LEU  14          HD21      LEU  14   6.543  -2.634   0.820
  119   HD22  LEU  14          HD22      LEU  14   5.115  -1.636   1.112
  120   HD23  LEU  14          HD23      LEU  14   6.716  -0.894   1.046
  121    H    VAL  15           HN       VAL  15   6.099  -4.737  -3.257
  122    HA   VAL  15           HA       VAL  15   8.623  -3.634  -3.996
  123    HB   VAL  15           HB       VAL  15   7.717  -6.518  -4.313
  124   HG11  VAL  15          HG11      VAL  15  10.112  -7.051  -4.182
  125   HG12  VAL  15          HG12      VAL  15  10.487  -5.328  -4.131
  126   HG13  VAL  15          HG13      VAL  15   9.745  -6.027  -5.567
  127   HG21  VAL  15          HG21      VAL  15   7.440  -5.769  -2.008
  128   HG22  VAL  15          HG22      VAL  15   9.102  -5.181  -1.997
  129   HG23  VAL  15          HG23      VAL  15   8.779  -6.909  -2.141
  130    H    GLU  16           HN       GLU  16   5.902  -4.892  -5.809
  131    HA   GLU  16           HA       GLU  16   7.149  -4.979  -8.343
  132    HB2  GLU  16           HB2      GLU  16   4.231  -4.591  -7.647
  133    HB3  GLU  16           HB1      GLU  16   4.832  -4.919  -9.265
  134    HG2  GLU  16           HG2      GLU  16   5.172  -6.757  -6.900
  135    HG3  GLU  16           HG1      GLU  16   3.910  -6.904  -8.118
  136    H    SER  17           HN       SER  17   6.295  -2.337  -6.423
  137    HA   SER  17           HA       SER  17   6.026  -0.506  -8.662
  138    HB2  SER  17           HB2      SER  17   6.082   0.031  -5.689
  139    HB3  SER  17           HB1      SER  17   5.592   1.171  -6.949
  140    HG   SER  17           HG       SER  17   4.307  -1.295  -6.305
  141    H    ALA  18           HN       ALA  18   8.451  -1.805  -6.643
  142    HA   ALA  18           HA       ALA  18  10.331   0.362  -7.228
  143    HB1  ALA  18           HB1      ALA  18  10.726  -2.143  -5.559
  144    HB2  ALA  18           HB2      ALA  18  10.333  -0.552  -4.918
  145    HB3  ALA  18           HB3      ALA  18  11.879  -0.822  -5.712
  146    H    GLY  19           HN       GLY  19   9.698  -3.037  -7.836
  147    HA2  GLY  19           HA2      GLY  19  10.210  -4.286  -9.720
  148    HA3  GLY  19           HA1      GLY  19  11.158  -2.938 -10.333
  149    H    GLU  20           HN       GLU  20  13.024  -2.442  -8.809
  150    HA   GLU  20           HA       GLU  20  14.682  -4.808  -8.674
  151    HB2  GLU  20           HB2      GLU  20  15.280  -1.907  -8.090
  152    HB3  GLU  20           HB1      GLU  20  16.463  -3.208  -8.137
  153    HG2  GLU  20           HG2      GLU  20  15.963  -3.557 -10.513
  154    HG3  GLU  20           HG1      GLU  20  14.807  -2.225 -10.444
  155    H    THR  21           HN       THR  21  15.613  -5.523  -6.735
  156    HA   THR  21           HA       THR  21  14.038  -4.696  -4.420
  157    HB   THR  21           HB       THR  21  15.827  -7.134  -4.380
  158    HG1  THR  21           HG1      THR  21  13.993  -6.525  -6.197
  159   HG21  THR  21          HG21      THR  21  14.031  -8.013  -2.999
  160   HG22  THR  21          HG22      THR  21  12.983  -6.685  -3.456
  161   HG23  THR  21          HG23      THR  21  14.332  -6.379  -2.386
  162    H    ASP  22           HN       ASP  22  16.204  -5.815  -2.549
  163    HA   ASP  22           HA       ASP  22  17.604  -4.887  -1.174
  164    HB2  ASP  22           HB2      ASP  22  19.305  -5.503  -2.796
  165    HB3  ASP  22           HB1      ASP  22  19.032  -4.020  -3.700
  166    H    GLY  23           HN       GLY  23  16.490  -3.600  -0.108
  167    HA2  GLY  23           HA2      GLY  23  16.709  -1.062   0.528
  168    HA3  GLY  23           HA1      GLY  23  15.903  -0.890  -1.051
  169    H    THR  24           HN       THR  24  14.228  -2.716  -1.191
  170    HA   THR  24           HA       THR  24  12.315  -2.090   0.805
  171    HB   THR  24           HB       THR  24  11.980  -4.081  -1.420
  172    HG1  THR  24           HG1      THR  24  11.253  -1.555  -2.125
  173   HG21  THR  24          HG21      THR  24   9.720  -3.022  -1.368
  174   HG22  THR  24          HG22      THR  24  10.343  -2.070   0.016
  175   HG23  THR  24          HG23      THR  24  10.215  -3.818   0.143
  176    H    ASP  25           HN       ASP  25  13.630  -3.164   2.507
  177    HA   ASP  25           HA       ASP  25  13.521  -6.081   2.423
  178    HB2  ASP  25           HB2      ASP  25  15.618  -4.894   3.197
  179    HB3  ASP  25           HB1      ASP  25  14.705  -4.328   4.596
  180    H    LEU  26           HN       LEU  26  11.449  -6.522   2.693
  181    HA   LEU  26           HA       LEU  26  10.126  -5.591   5.160
  182    HB2  LEU  26           HB2      LEU  26   8.145  -4.989   4.051
  183    HB3  LEU  26           HB1      LEU  26   9.424  -4.283   3.099
  184    HG   LEU  26           HG       LEU  26   7.806  -6.746   2.384
  185   HD11  LEU  26          HD11      LEU  26   7.791  -3.993   1.214
  186   HD12  LEU  26          HD12      LEU  26   6.535  -4.738   2.205
  187   HD13  LEU  26          HD13      LEU  26   6.891  -5.379   0.600
  188   HD21  LEU  26          HD21      LEU  26   9.998  -5.374   0.809
  189   HD22  LEU  26          HD22      LEU  26   8.864  -6.544   0.148
  190   HD23  LEU  26          HD23      LEU  26   9.993  -7.045   1.395
  191    H    SER  27           HN       SER  27  11.345  -8.122   3.843
  192    HA   SER  27           HA       SER  27   9.227  -9.950   3.567
  193    HB2  SER  27           HB2      SER  27  12.148 -10.521   4.090
  194    HB3  SER  27           HB1      SER  27  10.981 -11.523   3.216
  195    HG   SER  27           HG       SER  27  11.508 -10.443   1.458
  196    H    GLY  28           HN       GLY  28   7.960 -10.185   5.327
  197    HA2  GLY  28           HA2      GLY  28   8.001 -11.789   7.296
  198    HA3  GLY  28           HA1      GLY  28   9.228 -10.696   7.926
  199    H    ASP  29           HN       ASP  29   8.621  -8.554   8.508
  200    HA   ASP  29           HA       ASP  29   5.742  -8.021   8.645
  201    HB2  ASP  29           HB2      ASP  29   6.613  -9.156  10.781
  202    HB3  ASP  29           HB1      ASP  29   7.542  -7.692  11.054
  203    H    PHE  30           HN       PHE  30   5.410  -5.959   7.934
  204    HA   PHE  30           HA       PHE  30   7.502  -3.982   8.257
  205    HB2  PHE  30           HB2      PHE  30   7.311  -3.376   5.932
  206    HB3  PHE  30           HB1      PHE  30   7.785  -5.057   6.064
  207    HD1  PHE  30           HD1      PHE  30   5.942  -6.845   5.822
  208    HD2  PHE  30           HD2      PHE  30   5.419  -2.808   4.598
  209    HE1  PHE  30           HE1      PHE  30   4.085  -7.533   4.366
  210    HE2  PHE  30           HE2      PHE  30   3.559  -3.480   3.156
  211    HZ   PHE  30           HZ       PHE  30   2.851  -5.826   3.066
  212    H    LEU  31           HN       LEU  31   4.703  -4.635   9.294
  213    HA   LEU  31           HA       LEU  31   3.074  -2.638   8.011
  214    HB2  LEU  31           HB2      LEU  31   2.464  -4.460  10.315
  215    HB3  LEU  31           HB1      LEU  31   1.328  -3.281   9.677
  216    HG   LEU  31           HG       LEU  31   2.471  -5.636   8.161
  217   HD11  LEU  31          HD11      LEU  31   0.195  -6.478   8.204
  218   HD12  LEU  31          HD12      LEU  31  -0.289  -5.111   9.218
  219   HD13  LEU  31          HD13      LEU  31   0.861  -6.308   9.823
  220   HD21  LEU  31          HD21      LEU  31   0.450  -3.556   7.314
  221   HD22  LEU  31          HD22      LEU  31   0.856  -5.013   6.414
  222   HD23  LEU  31          HD23      LEU  31   2.076  -3.765   6.652
  223    H    ASP  32           HN       ASP  32   4.909  -2.861  10.980
  224    HA   ASP  32           HA       ASP  32   3.833  -0.232  11.743
  225    HB2  ASP  32           HB2      ASP  32   4.704  -0.504  13.937
  226    HB3  ASP  32           HB1      ASP  32   4.188  -2.123  13.505
  227    H    LEU  33           HN       LEU  33   6.037  -1.435   9.845
  228    HA   LEU  33           HA       LEU  33   8.289   0.295  10.251
  229    HB2  LEU  33           HB2      LEU  33   7.389  -1.689   8.245
  230    HB3  LEU  33           HB1      LEU  33   8.745  -0.765   7.759
  231    HG   LEU  33           HG       LEU  33   8.495  -2.786   9.979
  232   HD11  LEU  33          HD11      LEU  33  10.380  -2.520   7.644
  233   HD12  LEU  33          HD12      LEU  33   8.999  -3.613   7.747
  234   HD13  LEU  33          HD13      LEU  33  10.380  -3.829   8.830
  235   HD21  LEU  33          HD21      LEU  33  10.810  -2.282  10.602
  236   HD22  LEU  33          HD22      LEU  33   9.720  -0.947  10.962
  237   HD23  LEU  33          HD23      LEU  33  10.769  -0.873   9.535
  238    H    ARG  34           HN       ARG  34   8.746   2.156   9.164
  239    HA   ARG  34           HA       ARG  34   6.478   3.595   8.048
  240    HB2  ARG  34           HB2      ARG  34   9.371   4.421   8.328
  241    HB3  ARG  34           HB1      ARG  34   8.087   5.468   7.738
  242    HG2  ARG  34           HG2      ARG  34   6.985   5.264   9.945
  243    HG3  ARG  34           HG1      ARG  34   8.364   4.293  10.486
  244    HD2  ARG  34           HD2      ARG  34   8.557   7.102   9.418
  245    HD3  ARG  34           HD1      ARG  34   8.527   6.687  11.129
  246    HE   ARG  34           HE       ARG  34  10.588   5.346  10.618
  247   HH11  ARG  34          HH11      ARG  34   9.826   8.273   8.694
  248   HH12  ARG  34          HH12      ARG  34  11.442   8.681   8.452
  249   HH21  ARG  34          HH21      ARG  34  12.892   6.003  10.269
  250   HH22  ARG  34          HH22      ARG  34  13.177   7.408   9.358
  251    H    PHE  35           HN       PHE  35   6.224   4.322   5.917
  252    HA   PHE  35           HA       PHE  35   7.265   2.780   3.800
  253    HB2  PHE  35           HB2      PHE  35   6.165   5.599   3.683
  254    HB3  PHE  35           HB1      PHE  35   6.473   4.591   2.284
  255    HD1  PHE  35           HD2      PHE  35   5.224   2.356   2.179
  256    HD2  PHE  35           HD1      PHE  35   4.107   5.578   4.720
  257    HE1  PHE  35           HE2      PHE  35   2.971   1.426   2.363
  258    HE2  PHE  35           HE1      PHE  35   1.842   4.639   4.917
  259    HZ   PHE  35           HZ       PHE  35   1.245   2.636   3.699
  260    H    GLU  36           HN       GLU  36   8.286   5.751   5.222
  261    HA   GLU  36           HA       GLU  36  10.277   6.610   3.427
  262    HB2  GLU  36           HB2      GLU  36  10.246   6.890   6.428
  263    HB3  GLU  36           HB1      GLU  36  11.124   7.894   5.289
  264    HG2  GLU  36           HG2      GLU  36   9.075   8.797   4.426
  265    HG3  GLU  36           HG1      GLU  36   8.117   7.716   5.443
  266    H    ASP  37           HN       ASP  37  10.290   4.500   6.193
  267    HA   ASP  37           HA       ASP  37  13.088   4.133   6.447
  268    HB2  ASP  37           HB2      ASP  37  11.578   3.930   8.329
  269    HB3  ASP  37           HB1      ASP  37  10.732   2.612   7.545
  270    H    ILE  38           HN       ILE  38  10.546   2.421   4.752
  271    HA   ILE  38           HA       ILE  38  12.482   0.434   3.946
  272    HB   ILE  38           HB       ILE  38  10.586  -0.725   2.790
  273   HG12  ILE  38          HG12      ILE  38   8.939   1.382   4.213
  274   HG13  ILE  38          HG11      ILE  38   9.103   1.195   2.476
  275   HG21  ILE  38          HG21      ILE  38  10.302  -0.217   5.753
  276   HG22  ILE  38          HG22      ILE  38  11.350  -1.415   4.989
  277   HG23  ILE  38          HG23      ILE  38   9.597  -1.578   4.881
  278   HD11  ILE  38          HD11      ILE  38   7.970  -0.967   2.603
  279   HD12  ILE  38          HD12      ILE  38   6.977   0.344   3.247
  280   HD13  ILE  38          HD13      ILE  38   7.810  -0.760   4.347
  281    H    GLY  39           HN       GLY  39  12.330   3.281   2.994
  282    HA2  GLY  39           HA2      GLY  39  13.470   4.175   1.198
  283    HA3  GLY  39           HA1      GLY  39  13.454   2.605   0.441
  284    H    TYR  40           HN       TYR  40  10.532   4.375   1.423
  285    HA   TYR  40           HA       TYR  40  10.092   4.787  -1.435
  286    HB2  TYR  40           HB2      TYR  40   8.095   3.973   0.653
  287    HB3  TYR  40           HB1      TYR  40   7.593   4.699  -0.876
  288    HD1  TYR  40           HD2      TYR  40   9.157   1.807   0.709
  289    HD2  TYR  40           HD1      TYR  40   7.819   3.493  -2.927
  290    HE1  TYR  40           HE2      TYR  40   9.288  -0.391  -0.320
  291    HE2  TYR  40           HE1      TYR  40   7.924   1.306  -3.997
  292    HH   TYR  40           HH       TYR  40   9.228  -0.906  -3.577
  293    H    ASP  41           HN       ASP  41   9.266   6.617  -2.188
  294    HA   ASP  41           HA       ASP  41   9.373   8.862  -0.306
  295    HB2  ASP  41           HB2      ASP  41   9.198   8.963  -3.335
  296    HB3  ASP  41           HB1      ASP  41   9.550  10.309  -2.262
  297    H    SER  42           HN       SER  42   7.647   9.058  -3.298
  298    HA   SER  42           HA       SER  42   5.167   8.357  -2.115
  299    HB2  SER  42           HB2      SER  42   4.353  10.622  -3.297
  300    HB3  SER  42           HB1      SER  42   4.817  10.378  -1.602
  301    H    LEU  43           HN       LEU  43   6.990   9.235  -5.002
  302    HA   LEU  43           HA       LEU  43   5.115   8.702  -6.959
  303    HB2  LEU  43           HB2      LEU  43   7.253   9.760  -7.422
  304    HB3  LEU  43           HB1      LEU  43   8.103   8.290  -7.008
  305    HG   LEU  43           HG       LEU  43   7.105   7.174  -8.964
  306   HD11  LEU  43          HD11      LEU  43   5.926   8.493 -10.647
  307   HD12  LEU  43          HD12      LEU  43   5.937   9.881  -9.562
  308   HD13  LEU  43          HD13      LEU  43   5.042   8.429  -9.125
  309   HD21  LEU  43          HD21      LEU  43   9.285   8.251  -9.171
  310   HD22  LEU  43          HD22      LEU  43   8.504   9.772  -9.587
  311   HD23  LEU  43          HD23      LEU  43   8.373   8.397 -10.676
  312    H    ALA  44           HN       ALA  44   7.596   6.491  -5.711
  313    HA   ALA  44           HA       ALA  44   6.607   4.253  -7.093
  314    HB1  ALA  44           HB1      ALA  44   8.344   4.394  -4.636
  315    HB2  ALA  44           HB2      ALA  44   8.912   4.392  -6.307
  316    HB3  ALA  44           HB3      ALA  44   8.115   2.962  -5.640
  317    H    LEU  45           HN       LEU  45   5.707   5.822  -4.229
  318    HA   LEU  45           HA       LEU  45   4.449   3.583  -2.953
  319    HB2  LEU  45           HB2      LEU  45   5.423   5.825  -1.915
  320    HB3  LEU  45           HB1      LEU  45   3.835   6.434  -2.337
  321    HG   LEU  45           HG       LEU  45   4.303   4.145  -0.429
  322   HD11  LEU  45          HD11      LEU  45   5.238   6.206   0.444
  323   HD12  LEU  45          HD12      LEU  45   3.776   5.748   1.322
  324   HD13  LEU  45          HD13      LEU  45   3.715   7.044   0.129
  325   HD21  LEU  45          HD21      LEU  45   2.102   4.122  -1.475
  326   HD22  LEU  45          HD22      LEU  45   1.868   5.811  -1.018
  327   HD23  LEU  45          HD23      LEU  45   1.974   4.564   0.233
  328    H    MET  46           HN       MET  46   3.336   6.511  -4.838
  329    HA   MET  46           HA       MET  46   0.601   5.917  -4.756
  330    HB2  MET  46           HB2      MET  46   2.097   7.181  -7.062
  331    HB3  MET  46           HB1      MET  46   0.357   7.176  -6.867
  332    HG2  MET  46           HG2      MET  46   0.854   8.477  -4.649
  333    HG3  MET  46           HG1      MET  46   2.435   8.694  -5.386
  334    HE1  MET  46           HE1      MET  46  -1.435   9.247  -5.875
  335    HE2  MET  46           HE2      MET  46  -0.954   8.436  -7.363
  336    HE3  MET  46           HE3      MET  46  -1.456  10.130  -7.403
  337    H    GLU  47           HN       GLU  47   3.138   4.696  -6.835
  338    HA   GLU  47           HA       GLU  47   1.419   3.378  -8.643
  339    HB2  GLU  47           HB2      GLU  47   4.308   2.758  -8.027
  340    HB3  GLU  47           HB1      GLU  47   3.421   2.255  -9.463
  341    HG2  GLU  47           HG2      GLU  47   3.104   4.643 -10.051
  342    HG3  GLU  47           HG1      GLU  47   4.104   5.078  -8.673
  343    H    THR  48           HN       THR  48   2.596   2.554  -5.511
  344    HA   THR  48           HA       THR  48   2.027  -0.234  -5.568
  345    HB   THR  48           HB       THR  48   2.164   1.730  -3.259
  346    HG1  THR  48           HG1      THR  48   4.020   0.718  -4.891
  347   HG21  THR  48          HG21      THR  48   2.371  -1.292  -3.275
  348   HG22  THR  48          HG22      THR  48   1.019  -0.354  -2.626
  349   HG23  THR  48          HG23      THR  48   2.603  -0.254  -1.869
  350    H    ALA  49           HN       ALA  49   0.317   2.612  -4.258
  351    HA   ALA  49           HA       ALA  49  -2.050   1.352  -3.427
  352    HB1  ALA  49           HB1      ALA  49  -1.443   3.668  -2.846
  353    HB2  ALA  49           HB2      ALA  49  -3.069   3.549  -3.520
  354    HB3  ALA  49           HB3      ALA  49  -1.740   4.146  -4.518
  355    H    ALA  50           HN       ALA  50  -1.131   2.702  -6.531
  356    HA   ALA  50           HA       ALA  50  -3.505   2.451  -7.918
  357    HB1  ALA  50           HB1      ALA  50  -0.719   2.087  -9.003
  358    HB2  ALA  50           HB2      ALA  50  -1.537   3.630  -8.777
  359    HB3  ALA  50           HB3      ALA  50  -2.158   2.467  -9.949
  360    H    ARG  51           HN       ARG  51  -1.099  -0.017  -7.202
  361    HA   ARG  51           HA       ARG  51  -1.997  -2.033  -8.990
  362    HB2  ARG  51           HB2      ARG  51  -0.826  -2.518  -6.239
  363    HB3  ARG  51           HB1      ARG  51  -0.814  -3.625  -7.602
  364    HG2  ARG  51           HG2      ARG  51   0.675  -1.022  -7.411
  365    HG3  ARG  51           HG1      ARG  51   1.366  -2.629  -7.197
  366    HD2  ARG  51           HD2      ARG  51   0.901  -3.178  -9.493
  367    HD3  ARG  51           HD1      ARG  51   0.038  -1.653  -9.718
  368    HE   ARG  51           HE       ARG  51   2.215  -0.587  -9.147
  369   HH11  ARG  51          HH11      ARG  51   2.155  -3.844 -10.555
  370   HH12  ARG  51          HH12      ARG  51   3.573  -3.648 -11.487
  371   HH21  ARG  51          HH21      ARG  51   4.270  -0.315 -10.467
  372   HH22  ARG  51          HH22      ARG  51   4.790  -1.604 -11.410
  373    H    LEU  52           HN       LEU  52  -2.786  -1.278  -5.650
  374    HA   LEU  52           HA       LEU  52  -4.602  -3.433  -5.270
  375    HB2  LEU  52           HB2      LEU  52  -4.362  -0.855  -3.718
  376    HB3  LEU  52           HB1      LEU  52  -5.203  -2.301  -3.195
  377    HG   LEU  52           HG       LEU  52  -2.228  -2.033  -3.614
  378   HD11  LEU  52          HD11      LEU  52  -3.004  -0.884  -1.637
  379   HD12  LEU  52          HD12      LEU  52  -2.099  -2.333  -1.195
  380   HD13  LEU  52          HD13      LEU  52  -3.859  -2.334  -1.103
  381   HD21  LEU  52          HD21      LEU  52  -2.096  -4.302  -2.657
  382   HD22  LEU  52          HD22      LEU  52  -2.970  -4.285  -4.187
  383   HD23  LEU  52          HD23      LEU  52  -3.854  -4.408  -2.667
  384    H    GLU  53           HN       GLU  53  -4.995   0.000  -6.024
  385    HA   GLU  53           HA       GLU  53  -7.781   0.066  -6.041
  386    HB2  GLU  53           HB2      GLU  53  -5.821   1.711  -7.657
  387    HB3  GLU  53           HB1      GLU  53  -7.539   2.053  -7.544
  388    HG2  GLU  53           HG2      GLU  53  -7.235   2.348  -5.081
  389    HG3  GLU  53           HG1      GLU  53  -5.500   2.177  -5.337
  390    H    SER  54           HN       SER  54  -5.491  -0.862  -8.538
  391    HA   SER  54           HA       SER  54  -7.489  -1.055 -10.584
  392    HB2  SER  54           HB2      SER  54  -4.666  -2.131 -10.554
  393    HB3  SER  54           HB1      SER  54  -5.687  -1.909 -11.977
  394    HG   SER  54           HG       SER  54  -4.515   0.017 -10.290
  395    H    ARG  55           HN       ARG  55  -5.777  -3.413  -8.522
  396    HA   ARG  55           HA       ARG  55  -6.912  -5.656  -9.836
  397    HB2  ARG  55           HB2      ARG  55  -4.830  -5.901  -8.648
  398    HB3  ARG  55           HB1      ARG  55  -5.597  -5.442  -7.135
  399    HG2  ARG  55           HG2      ARG  55  -6.962  -7.449  -7.192
  400    HG3  ARG  55           HG1      ARG  55  -6.243  -7.907  -8.739
  401    HD2  ARG  55           HD2      ARG  55  -4.080  -8.150  -7.704
  402    HD3  ARG  55           HD1      ARG  55  -4.707  -7.517  -6.183
  403    HE   ARG  55           HE       ARG  55  -6.053  -9.870  -7.178
  404   HH11  ARG  55          HH11      ARG  55  -3.360  -8.712  -5.217
  405   HH12  ARG  55          HH12      ARG  55  -3.405 -10.028  -4.130
  406   HH21  ARG  55          HH21      ARG  55  -6.033 -11.759  -5.717
  407   HH22  ARG  55          HH22      ARG  55  -4.876 -11.795  -4.481
  408    H    TYR  56           HN       TYR  56  -7.681  -4.207  -6.649
  409    HA   TYR  56           HA       TYR  56  -9.919  -6.018  -6.483
  410    HB2  TYR  56           HB2      TYR  56  -8.752  -4.056  -4.530
  411    HB3  TYR  56           HB1      TYR  56 -10.271  -4.894  -4.221
  412    HD1  TYR  56           HD1      TYR  56 -10.260  -7.410  -3.973
  413    HD2  TYR  56           HD2      TYR  56  -6.673  -5.148  -4.314
  414    HE1  TYR  56           HE1      TYR  56  -8.980  -9.331  -3.110
  415    HE2  TYR  56           HE2      TYR  56  -5.382  -7.031  -3.447
  416    HH   TYR  56           HH       TYR  56  -6.600 -10.211  -3.068
  417    H    GLY  57           HN       GLY  57  -9.378  -2.766  -7.374
  418    HA2  GLY  57           HA2      GLY  57 -10.915  -1.447  -8.534
  419    HA3  GLY  57           HA1      GLY  57 -12.200  -2.540  -8.031
  420    H    VAL  58           HN       VAL  58  -9.853  -0.343  -6.490
  421    HA   VAL  58           HA       VAL  58 -12.117   0.722  -4.967
  422    HB   VAL  58           HB       VAL  58 -10.934   0.911  -2.948
  423   HG11  VAL  58          HG11      VAL  58  -9.984  -1.259  -2.415
  424   HG12  VAL  58          HG12      VAL  58  -9.883  -1.601  -4.139
  425   HG13  VAL  58          HG13      VAL  58 -11.466  -1.391  -3.378
  426   HG21  VAL  58          HG21      VAL  58  -8.863   1.929  -3.785
  427   HG22  VAL  58          HG22      VAL  58  -8.295   0.336  -4.320
  428   HG23  VAL  58          HG23      VAL  58  -8.569   0.658  -2.604
  429    H    SER  59           HN       SER  59 -11.387   3.024  -4.001
  430    HA   SER  59           HA       SER  59  -9.762   4.403  -6.007
  431    HB2  SER  59           HB2      SER  59 -12.422   5.410  -4.948
  432    HB3  SER  59           HB1      SER  59 -11.429   6.149  -6.210
  433    HG   SER  59           HG       SER  59 -12.761   3.667  -6.276
  434    H    ILE  60           HN       ILE  60  -8.156   5.338  -4.917
  435    HA   ILE  60           HA       ILE  60  -8.557   6.104  -2.105
  436    HB   ILE  60           HB       ILE  60  -5.967   5.751  -3.651
  437   HG12  ILE  60          HG12      ILE  60  -7.076   3.616  -3.208
  438   HG13  ILE  60          HG11      ILE  60  -5.622   3.765  -2.237
  439   HG21  ILE  60          HG21      ILE  60  -4.830   5.967  -1.475
  440   HG22  ILE  60          HG22      ILE  60  -6.377   6.366  -0.720
  441   HG23  ILE  60          HG23      ILE  60  -5.688   7.442  -1.932
  442   HD11  ILE  60          HD11      ILE  60  -7.419   2.780  -0.971
  443   HD12  ILE  60          HD12      ILE  60  -8.445   4.189  -1.274
  444   HD13  ILE  60          HD13      ILE  60  -6.979   4.346  -0.297
  445    HA   PRO  61           HA       PRO  61  -8.685  10.325  -3.746
  446    HB2  PRO  61           HB2      PRO  61  -9.404  10.977  -0.976
  447    HB3  PRO  61           HB1      PRO  61 -10.347  11.211  -2.448
  448    HG2  PRO  61           HG2      PRO  61 -11.022   9.388  -0.604
  449    HG3  PRO  61           HG1      PRO  61 -11.299   9.110  -2.332
  450    HD2  PRO  61           HD2      PRO  61  -9.094   8.093  -0.574
  451    HD3  PRO  61           HD1      PRO  61 -10.035   7.226  -1.812
  452    H    ASP  62           HN       ASP  62  -7.215  11.966  -3.594
  453    HA   ASP  62           HA       ASP  62  -4.681  11.415  -2.479
  454    HB2  ASP  62           HB2      ASP  62  -3.915  13.545  -3.271
  455    HB3  ASP  62           HB1      ASP  62  -5.050  12.928  -4.461
  456    H    ASP  63           HN       ASP  63  -7.342  13.212  -1.148
  457    HA   ASP  63           HA       ASP  63  -5.804  14.480   0.905
  458    HB2  ASP  63           HB2      ASP  63  -7.960  15.141   1.866
  459    HB3  ASP  63           HB1      ASP  63  -7.917  15.465   0.140
  460    H    VAL  64           HN       VAL  64  -7.557  11.509   0.594
  461    HA   VAL  64           HA       VAL  64  -7.354  10.871   3.407
  462    HB   VAL  64           HB       VAL  64  -8.228   9.088   1.103
  463   HG11  VAL  64          HG11      VAL  64  -7.668   7.844   3.099
  464   HG12  VAL  64          HG12      VAL  64  -9.400   7.802   2.793
  465   HG13  VAL  64          HG13      VAL  64  -8.753   8.853   4.055
  466   HG21  VAL  64          HG21      VAL  64  -9.623  11.078   1.186
  467   HG22  VAL  64          HG22      VAL  64  -9.929  10.811   2.902
  468   HG23  VAL  64          HG23      VAL  64 -10.534   9.659   1.709
  469    H    ALA  65           HN       ALA  65  -5.615  10.424   0.519
  470    HA   ALA  65           HA       ALA  65  -4.113   8.118   1.146
  471    HB1  ALA  65           HB1      ALA  65  -2.709   8.765  -0.721
  472    HB2  ALA  65           HB2      ALA  65  -3.443  10.366  -0.739
  473    HB3  ALA  65           HB3      ALA  65  -4.413   8.947  -1.133
  474    H    GLY  66           HN       GLY  66  -3.570  11.539   1.732
  475    HA2  GLY  66           HA2      GLY  66  -0.830  11.125   2.573
  476    HA3  GLY  66           HA1      GLY  66  -1.714  12.639   2.612
  477    H    ARG  67           HN       ARG  67  -2.709   9.626   4.103
  478    HA   ARG  67           HA       ARG  67  -2.220  10.784   6.773
  479    HB2  ARG  67           HB2      ARG  67  -4.733   9.342   5.879
  480    HB3  ARG  67           HB1      ARG  67  -4.394   9.859   7.529
  481    HG2  ARG  67           HG2      ARG  67  -4.405  12.175   6.828
  482    HG3  ARG  67           HG1      ARG  67  -4.637  11.683   5.152
  483    HD2  ARG  67           HD2      ARG  67  -6.789  10.675   5.786
  484    HD3  ARG  67           HD1      ARG  67  -6.555  11.274   7.434
  485    HE   ARG  67           HE       ARG  67  -6.249  13.483   6.102
  486   HH11  ARG  67          HH11      ARG  67  -8.816  11.012   5.732
  487   HH12  ARG  67          HH12      ARG  67  -9.918  12.112   5.022
  488   HH21  ARG  67          HH21      ARG  67  -7.797  14.940   5.152
  489   HH22  ARG  67          HH22      ARG  67  -9.347  14.419   4.700
  490    H    VAL  68           HN       VAL  68  -1.200   8.530   4.833
  491    HA   VAL  68           HA       VAL  68  -1.366   6.343   6.759
  492    HB   VAL  68           HB       VAL  68  -0.540   4.857   4.913
  493   HG11  VAL  68          HG11      VAL  68  -3.044   6.426   4.334
  494   HG12  VAL  68          HG12      VAL  68  -2.897   5.026   5.392
  495   HG13  VAL  68          HG13      VAL  68  -2.644   4.849   3.655
  496   HG21  VAL  68          HG21      VAL  68  -0.949   7.306   3.184
  497   HG22  VAL  68          HG22      VAL  68  -0.615   5.678   2.594
  498   HG23  VAL  68          HG23      VAL  68   0.604   6.544   3.541
  499    H    ASP  69           HN       ASP  69   0.136   6.446   8.203
  500    HA   ASP  69           HA       ASP  69   2.767   7.462   7.584
  501    HB2  ASP  69           HB2      ASP  69   1.712   7.901   9.795
  502    HB3  ASP  69           HB1      ASP  69   1.783   6.178  10.147
  503    H    THR  70           HN       THR  70   1.372   4.340   8.513
  504    HA   THR  70           HA       THR  70   3.784   3.057   7.429
  505    HB   THR  70           HB       THR  70   3.382   1.245   9.038
  506    HG1  THR  70           HG1      THR  70   1.327   2.926  10.139
  507   HG21  THR  70          HG21      THR  70   3.428   3.950  10.349
  508   HG22  THR  70          HG22      THR  70   4.828   3.111   9.679
  509   HG23  THR  70          HG23      THR  70   3.986   2.437  11.090
  510    HA   PRO  71           HA       PRO  71   1.160   0.535   4.744
  511    HB2  PRO  71           HB2      PRO  71   2.410  -1.841   6.057
  512    HB3  PRO  71           HB1      PRO  71   2.265  -1.457   4.333
  513    HG2  PRO  71           HG2      PRO  71   4.587  -1.156   5.513
  514    HG3  PRO  71           HG1      PRO  71   3.988   0.104   4.408
  515    HD2  PRO  71           HD2      PRO  71   3.972   0.065   7.405
  516    HD3  PRO  71           HD1      PRO  71   4.424   1.378   6.296
  517    H    ARG  72           HN       ARG  72   1.314  -0.053   8.181
  518    HA   ARG  72           HA       ARG  72  -0.888  -1.757   8.547
  519    HB2  ARG  72           HB2      ARG  72   0.722  -1.167  10.305
  520    HB3  ARG  72           HB1      ARG  72   0.204   0.502  10.232
  521    HG2  ARG  72           HG2      ARG  72  -2.036  -0.246  11.056
  522    HG3  ARG  72           HG1      ARG  72  -1.342  -1.861  11.273
  523    HD2  ARG  72           HD2      ARG  72  -1.280  -0.517  13.358
  524    HD3  ARG  72           HD1      ARG  72   0.330  -0.975  12.796
  525    HE   ARG  72           HE       ARG  72  -0.674   1.603  11.904
  526   HH11  ARG  72          HH11      ARG  72   1.338  -0.003  14.364
  527   HH12  ARG  72          HH12      ARG  72   2.301   1.361  14.653
  528   HH21  ARG  72          HH21      ARG  72   0.638   3.400  12.211
  529   HH22  ARG  72          HH22      ARG  72   1.913   3.412  13.340
  530    H    GLU  73           HN       GLU  73  -0.624   1.794   8.577
  531    HA   GLU  73           HA       GLU  73  -3.374   2.360   8.699
  532    HB2  GLU  73           HB2      GLU  73  -1.039   3.993   7.715
  533    HB3  GLU  73           HB1      GLU  73  -2.681   4.589   7.566
  534    HG2  GLU  73           HG2      GLU  73  -1.590   5.528   9.503
  535    HG3  GLU  73           HG1      GLU  73  -2.927   4.500   9.991
  536    H    LEU  74           HN       LEU  74  -1.212   1.883   5.989
  537    HA   LEU  74           HA       LEU  74  -3.050   2.671   3.974
  538    HB2  LEU  74           HB2      LEU  74  -0.495   2.421   3.799
  539    HB3  LEU  74           HB1      LEU  74  -0.765   0.709   3.607
  540    HG   LEU  74           HG       LEU  74  -0.271   1.899   1.487
  541   HD11  LEU  74          HD11      LEU  74  -2.042   0.954   0.116
  542   HD12  LEU  74          HD12      LEU  74  -3.014   0.694   1.566
  543   HD13  LEU  74          HD13      LEU  74  -1.489  -0.172   1.357
  544   HD21  LEU  74          HD21      LEU  74  -2.913   3.264   1.960
  545   HD22  LEU  74          HD22      LEU  74  -1.967   3.342   0.473
  546   HD23  LEU  74          HD23      LEU  74  -1.317   4.019   1.969
  547    H    LEU  75           HN       LEU  75  -2.248  -0.496   5.341
  548    HA   LEU  75           HA       LEU  75  -3.918  -2.098   3.752
  549    HB2  LEU  75           HB2      LEU  75  -2.111  -2.945   5.205
  550    HB3  LEU  75           HB1      LEU  75  -3.020  -2.471   6.618
  551    HG   LEU  75           HG       LEU  75  -4.767  -4.139   5.975
  552   HD11  LEU  75          HD11      LEU  75  -4.285  -4.260   3.593
  553   HD12  LEU  75          HD12      LEU  75  -4.197  -5.849   4.343
  554   HD13  LEU  75          HD13      LEU  75  -2.713  -4.979   3.941
  555   HD21  LEU  75          HD21      LEU  75  -3.464  -6.073   6.697
  556   HD22  LEU  75          HD22      LEU  75  -3.064  -4.642   7.644
  557   HD23  LEU  75          HD23      LEU  75  -1.973  -5.197   6.367
  558    H    ASP  76           HN       ASP  76  -4.418  -0.521   6.876
  559    HA   ASP  76           HA       ASP  76  -7.091  -1.440   7.218
  560    HB2  ASP  76           HB2      ASP  76  -5.584  -0.819   9.106
  561    HB3  ASP  76           HB1      ASP  76  -5.672   0.862   8.598
  562    H    LEU  77           HN       LEU  77  -5.681   1.157   5.519
  563    HA   LEU  77           HA       LEU  77  -7.929   2.901   5.383
  564    HB2  LEU  77           HB2      LEU  77  -5.601   3.626   4.965
  565    HB3  LEU  77           HB1      LEU  77  -5.574   2.651   3.512
  566    HG   LEU  77           HG       LEU  77  -7.442   4.058   2.640
  567   HD11  LEU  77          HD11      LEU  77  -8.251   4.882   4.741
  568   HD12  LEU  77          HD12      LEU  77  -7.777   6.235   3.709
  569   HD13  LEU  77          HD13      LEU  77  -6.724   5.713   5.027
  570   HD21  LEU  77          HD21      LEU  77  -4.845   5.446   3.300
  571   HD22  LEU  77          HD22      LEU  77  -5.983   5.937   2.038
  572   HD23  LEU  77          HD23      LEU  77  -5.145   4.397   1.916
  573    H    ILE  78           HN       ILE  78  -6.529   0.514   3.187
  574    HA   ILE  78           HA       ILE  78  -8.294   0.862   0.994
  575    HB   ILE  78           HB       ILE  78  -6.855  -1.666   1.861
  576   HG12  ILE  78          HG12      ILE  78  -5.262   0.195   1.588
  577   HG13  ILE  78          HG11      ILE  78  -5.032  -1.042   0.358
  578   HG21  ILE  78          HG21      ILE  78  -8.566  -2.128   0.247
  579   HG22  ILE  78          HG22      ILE  78  -6.979  -2.329  -0.477
  580   HG23  ILE  78          HG23      ILE  78  -7.932  -0.884  -0.837
  581   HD11  ILE  78          HD11      ILE  78  -6.195   0.378  -1.262
  582   HD12  ILE  78          HD12      ILE  78  -4.808   1.196  -0.551
  583   HD13  ILE  78          HD13      ILE  78  -6.439   1.596  -0.011
  584    H    ASN  79           HN       ASN  79  -8.045  -1.619   3.424
  585    HA   ASN  79           HA       ASN  79 -10.498  -2.864   2.826
  586    HB2  ASN  79           HB2      ASN  79  -8.610  -3.142   5.166
  587    HB3  ASN  79           HB1      ASN  79  -9.996  -4.176   4.892
  588   HD21  ASN  79          HD21      ASN  79  -7.058  -4.795   4.868
  589   HD22  ASN  79          HD22      ASN  79  -6.804  -5.541   3.345
  590    H    GLY  80           HN       GLY  80  -9.717  -0.138   4.669
  591    HA2  GLY  80           HA2      GLY  80 -11.973  -0.216   6.415
  592    HA3  GLY  80           HA1      GLY  80 -10.918   1.163   6.114
  593    H    ALA  81           HN       ALA  81 -11.124   1.501   3.416
  594    HA   ALA  81           HA       ALA  81 -13.585   2.847   3.155
  595    HB1  ALA  81           HB1      ALA  81 -11.550   3.517   1.950
  596    HB2  ALA  81           HB2      ALA  81 -12.895   3.240   0.842
  597    HB3  ALA  81           HB3      ALA  81 -11.623   2.027   1.006
  598    H    LEU  82           HN       LEU  82 -12.365  -0.201   1.922
  599    HA   LEU  82           HA       LEU  82 -14.429  -1.024   0.313
  600    HB2  LEU  82           HB2      LEU  82 -12.615  -2.617   2.087
  601    HB3  LEU  82           HB1      LEU  82 -13.758  -3.375   1.001
  602    HG   LEU  82           HG       LEU  82 -11.560  -1.512   0.114
  603   HD11  LEU  82          HD11      LEU  82 -10.456  -3.543  -0.695
  604   HD12  LEU  82          HD12      LEU  82 -11.732  -4.524   0.023
  605   HD13  LEU  82          HD13      LEU  82 -10.659  -3.578   1.057
  606   HD21  LEU  82          HD21      LEU  82 -12.114  -2.393  -2.109
  607   HD22  LEU  82          HD22      LEU  82 -13.486  -1.558  -1.383
  608   HD23  LEU  82          HD23      LEU  82 -13.438  -3.320  -1.404
  609    H    ALA  83           HN       ALA  83 -14.121  -1.548   3.829
  610    HA   ALA  83           HA       ALA  83 -16.686  -2.853   3.867
  611    HB1  ALA  83           HB1      ALA  83 -14.878  -2.235   6.190
  612    HB2  ALA  83           HB2      ALA  83 -14.870  -3.723   5.221
  613    HB3  ALA  83           HB3      ALA  83 -16.294  -3.297   6.172
  614    H    GLU  84           HN       GLU  84 -15.823   0.302   3.854
  615    HA   GLU  84           HA       GLU  84 -17.976   1.116   5.630
  616    HB2  GLU  84           HB2      GLU  84 -15.878   2.451   5.587
  617    HB3  GLU  84           HB1      GLU  84 -16.168   2.816   3.889
  618    HG2  GLU  84           HG2      GLU  84 -18.174   4.031   4.450
  619    HG3  GLU  84           HG1      GLU  84 -17.990   3.592   6.151
  620    H    ALA  85           HN       ALA  85 -17.133   0.939   2.244
  621    HA   ALA  85           HA       ALA  85 -19.652   1.986   1.340
  622    HB1  ALA  85           HB1      ALA  85 -18.874   1.341  -0.893
  623    HB2  ALA  85           HB2      ALA  85 -17.510   0.480  -0.178
  624    HB3  ALA  85           HB3      ALA  85 -17.633   2.231  -0.018
  625    H    ALA  86           HN       ALA  86 -18.548  -0.915   2.544
  626    HA   ALA  86           HA       ALA  86 -20.162  -2.788   1.194
  627    HB1  ALA  86           HB1      ALA  86 -18.945  -2.958   3.943
  628    HB2  ALA  86           HB2      ALA  86 -18.161  -3.434   2.438
  629    HB3  ALA  86           HB3      ALA  86 -19.583  -4.314   3.007
  630   H28A  SXR 101          H28A      SXR  42   5.501  10.991  -6.469
  631   H28B  SXR 101          H28B      SXR  42   4.421  10.848  -5.091
  632   H30A  SXR 101          H30A      SXR  42   3.548  13.010  -4.453
  633   H30B  SXR 101          H30B      SXR  42   2.145  12.571  -5.432
  634   H30C  SXR 101          H30C      SXR  42   2.915  14.143  -5.656
  635   H31A  SXR 101          H31A      SXR  42   5.094  14.308  -6.406
  636   H31B  SXR 101          H31B      SXR  42   4.190  14.038  -7.910
  637   H31C  SXR 101          H31C      SXR  42   5.688  13.137  -7.597
  638   H32A  SXR 101          H32A      SXR  42   2.641  10.856  -7.097
  639   H33A  SXR 101          H33A      SXR  42   3.419  10.891  -9.306
  640   H36A  SXR 101          H36A      SXR  42   3.507  13.051  -9.563
  641   H37A  SXR 101          H37A      SXR  42   1.796  13.904 -11.127
  642   H37B  SXR 101          H37B      SXR  42   0.778  14.213  -9.713
  643   H38A  SXR 101          H38A      SXR  42   3.379  15.608 -10.362
  644   H38B  SXR 101          H38B      SXR  42   1.772  16.298 -10.559
  645   H41A  SXR 101          H41A      SXR  42   0.927  14.946  -8.030
  646   H42A  SXR 101          H42A      SXR  42   1.946  15.138  -5.722
  647   H42B  SXR 101          H42B      SXR  42   1.967  16.839  -6.034
  648   H43A  SXR 101          H43A      SXR  42  -0.454  14.978  -5.935
  649   H43B  SXR 101          H43B      SXR  42  -0.543  16.682  -6.383
  650   H11A  SXR 101          H11A      SXR  42   0.704   8.504  -0.214
  651   H10A  SXR 101          H10A      SXR  42  -0.422   6.283  -0.109
  652    H9A  SXR 101           H9A      SXR  42  -1.933   5.584  -1.927
  653    H8A  SXR 101           H8A      SXR  42  -2.340   7.081  -3.857
  654    H7A  SXR 101           H7A      SXR  42  -1.230   9.291  -3.966
  655    H5A  SXR 101           H5A      SXR  42   1.381  10.697  -1.610
  656    H5B  SXR 101           H5B      SXR  42   1.140  10.023  -2.946
  657    H4A  SXR 101           H4A      SXR  42  -0.982  11.540  -3.539
  658    H4B  SXR 101           H4B      SXR  42  -1.243  11.070  -2.127
  659    H2A  SXR 101           H2A      SXR  42  -1.538  14.299  -3.152
  660    H2B  SXR 101           H2B      SXR  42  -0.924  14.559  -1.816
  661    H1A  SXR 101           H1A      SXR  42   1.589  14.994  -3.148
  662    H1B  SXR 101           H1B      SXR  42   0.695  14.231  -4.116
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1 -21.082 -13.654   0.076
    2    H2   MET   1           HT2      MET   1 -19.831 -13.437  -1.035
    3    H3   MET   1           HT3      MET   1 -20.496 -12.102  -0.253
    4    HA   MET   1           HA       MET   1 -19.723 -12.928   1.876
    5    HB2  MET   1           HB2      MET   1 -18.025 -14.678   1.955
    6    HB3  MET   1           HB1      MET   1 -19.452 -15.354   1.205
    7    HG2  MET   1           HG2      MET   1 -18.440 -15.135  -0.991
    8    HG3  MET   1           HG1      MET   1 -17.019 -14.358  -0.301
    9    HE1  MET   1           HE1      MET   1 -19.091 -17.483   1.034
   10    HE2  MET   1           HE2      MET   1 -18.169 -18.806   0.327
   11    HE3  MET   1           HE3      MET   1 -19.046 -17.693  -0.720
   12    H    ALA   2           HN       ALA   2 -17.722 -12.061   2.623
   13    HA   ALA   2           HA       ALA   2 -16.724 -10.112   0.787
   14    HB1  ALA   2           HB1      ALA   2 -16.073 -10.574   3.690
   15    HB2  ALA   2           HB2      ALA   2 -17.303  -9.476   3.077
   16    HB3  ALA   2           HB3      ALA   2 -15.588  -9.178   2.738
   17    H    THR   3           HN       THR   3 -14.484  -9.765   0.377
   18    HA   THR   3           HA       THR   3 -12.670 -11.915   0.999
   19    HB   THR   3           HB       THR   3 -13.421 -12.585  -1.212
   20    HG1  THR   3           HG1      THR   3 -11.393 -12.995  -1.521
   21   HG21  THR   3          HG21      THR   3 -12.816  -9.774  -2.181
   22   HG22  THR   3          HG22      THR   3 -14.420 -10.495  -1.992
   23   HG23  THR   3          HG23      THR   3 -13.311 -11.126  -3.206
   24    H    LEU   4           HN       LEU   4 -11.579 -10.680   2.386
   25    HA   LEU   4           HA       LEU   4 -10.663  -8.047   1.550
   26    HB2  LEU   4           HB2      LEU   4 -10.490  -9.439   4.231
   27    HB3  LEU   4           HB1      LEU   4  -9.760  -7.893   3.906
   28    HG   LEU   4           HG       LEU   4 -11.737  -7.490   5.113
   29   HD11  LEU   4          HD11      LEU   4 -12.263  -6.845   2.237
   30   HD12  LEU   4          HD12      LEU   4 -11.327  -5.892   3.379
   31   HD13  LEU   4          HD13      LEU   4 -13.062  -6.095   3.614
   32   HD21  LEU   4          HD21      LEU   4 -12.907  -9.594   4.752
   33   HD22  LEU   4          HD22      LEU   4 -13.240  -9.139   3.084
   34   HD23  LEU   4          HD23      LEU   4 -13.976  -8.238   4.405
   35    H    LEU   5           HN       LEU   5  -8.794  -7.790   0.648
   36    HA   LEU   5           HA       LEU   5  -6.740  -9.695   0.521
   37    HB2  LEU   5           HB2      LEU   5  -5.300  -8.000  -0.398
   38    HB3  LEU   5           HB1      LEU   5  -6.902  -7.749  -1.045
   39    HG   LEU   5           HG       LEU   5  -5.764  -6.099   1.227
   40   HD11  LEU   5          HD11      LEU   5  -5.320  -4.364  -0.413
   41   HD12  LEU   5          HD12      LEU   5  -5.729  -5.487  -1.717
   42   HD13  LEU   5          HD13      LEU   5  -4.335  -5.785  -0.676
   43   HD21  LEU   5          HD21      LEU   5  -8.133  -5.683  -0.610
   44   HD22  LEU   5          HD22      LEU   5  -7.443  -4.457   0.440
   45   HD23  LEU   5          HD23      LEU   5  -8.159  -5.888   1.153
   46    H    THR   6           HN       THR   6  -5.058 -10.161   1.864
   47    HA   THR   6           HA       THR   6  -5.071  -8.789   4.405
   48    HB   THR   6           HB       THR   6  -3.622 -10.723   5.139
   49    HG1  THR   6           HG1      THR   6  -3.020 -12.182   3.703
   50   HG21  THR   6          HG21      THR   6  -6.041 -10.691   5.572
   51   HG22  THR   6          HG22      THR   6  -5.498 -12.329   5.214
   52   HG23  THR   6          HG23      THR   6  -6.345 -11.390   3.983
   53    H    THR   7           HN       THR   7  -2.600  -9.166   5.389
   54    HA   THR   7           HA       THR   7  -1.054  -7.143   4.372
   55    HB   THR   7           HB       THR   7   0.011  -9.424   5.991
   56    HG1  THR   7           HG1      THR   7  -1.196  -8.505   7.772
   57   HG21  THR   7          HG21      THR   7   1.434  -7.451   5.506
   58   HG22  THR   7          HG22      THR   7   1.037  -7.558   7.224
   59   HG23  THR   7          HG23      THR   7   0.189  -6.405   6.195
   60    H    ASP   8           HN       ASP   8  -1.278 -10.491   3.583
   61    HA   ASP   8           HA       ASP   8   1.262 -11.102   2.547
   62    HB2  ASP   8           HB2      ASP   8  -1.431 -12.203   1.748
   63    HB3  ASP   8           HB1      ASP   8   0.128 -12.955   1.419
   64    H    ASP   9           HN       ASP   9  -1.652  -9.813   1.083
   65    HA   ASP   9           HA       ASP   9  -0.547  -9.893  -1.570
   66    HB2  ASP   9           HB2      ASP   9  -3.027 -10.161  -1.074
   67    HB3  ASP   9           HB1      ASP   9  -3.025  -8.494  -0.595
   68    H    LEU  10           HN       LEU  10  -1.181  -7.506   0.905
   69    HA   LEU  10           HA       LEU  10  -0.408  -5.155  -0.395
   70    HB2  LEU  10           HB2      LEU  10  -1.360  -5.319   1.931
   71    HB3  LEU  10           HB1      LEU  10   0.184  -5.923   2.480
   72    HG   LEU  10           HG       LEU  10   1.225  -3.772   1.778
   73   HD11  LEU  10          HD11      LEU  10  -1.620  -2.949   1.340
   74   HD12  LEU  10          HD12      LEU  10  -0.357  -3.123   0.113
   75   HD13  LEU  10          HD13      LEU  10  -0.224  -1.867   1.352
   76   HD21  LEU  10          HD21      LEU  10   0.333  -2.472   3.646
   77   HD22  LEU  10          HD22      LEU  10   0.610  -4.145   4.106
   78   HD23  LEU  10          HD23      LEU  10  -1.030  -3.577   3.785
   79    H    ARG  11           HN       ARG  11   1.440  -7.550   1.341
   80    HA   ARG  11           HA       ARG  11   4.008  -6.580   1.100
   81    HB2  ARG  11           HB2      ARG  11   3.644  -8.335   2.601
   82    HB3  ARG  11           HB1      ARG  11   2.835  -9.319   1.396
   83    HG2  ARG  11           HG2      ARG  11   4.871  -9.911   0.364
   84    HG3  ARG  11           HG1      ARG  11   5.765  -8.690   1.252
   85    HD2  ARG  11           HD2      ARG  11   6.099 -10.983   2.139
   86    HD3  ARG  11           HD1      ARG  11   5.465  -9.852   3.322
   87    HE   ARG  11           HE       ARG  11   3.396 -11.359   2.063
   88   HH11  ARG  11          HH11      ARG  11   5.885 -11.481   4.580
   89   HH12  ARG  11          HH12      ARG  11   5.176 -12.722   5.492
   90   HH21  ARG  11          HH21      ARG  11   2.285 -13.142   3.433
   91   HH22  ARG  11          HH22      ARG  11   3.112 -13.644   4.796
   92    H    ARG  12           HN       ARG  12   2.129  -8.478  -1.253
   93    HA   ARG  12           HA       ARG  12   4.404  -8.844  -2.954
   94    HB2  ARG  12           HB2      ARG  12   1.465  -9.246  -3.530
   95    HB3  ARG  12           HB1      ARG  12   2.782  -9.643  -4.615
   96    HG2  ARG  12           HG2      ARG  12   3.642 -11.206  -2.853
   97    HG3  ARG  12           HG1      ARG  12   2.147 -10.898  -1.950
   98    HD2  ARG  12           HD2      ARG  12   1.907 -12.932  -3.232
   99    HD3  ARG  12           HD1      ARG  12   0.854 -11.696  -3.914
  100    HE   ARG  12           HE       ARG  12   3.197 -11.498  -5.315
  101   HH11  ARG  12          HH11      ARG  12   0.746 -14.032  -4.871
  102   HH12  ARG  12          HH12      ARG  12   1.123 -14.819  -6.353
  103   HH21  ARG  12          HH21      ARG  12   3.712 -12.611  -7.272
  104   HH22  ARG  12          HH22      ARG  12   2.864 -14.025  -7.715
  105    H    ALA  13           HN       ALA  13   1.558  -6.802  -2.951
  106    HA   ALA  13           HA       ALA  13   1.939  -5.552  -5.409
  107    HB1  ALA  13           HB1      ALA  13   0.567  -4.444  -2.982
  108    HB2  ALA  13           HB2      ALA  13  -0.142  -5.544  -4.177
  109    HB3  ALA  13           HB3      ALA  13   0.354  -3.918  -4.653
  110    H    LEU  14           HN       LEU  14   3.196  -4.629  -2.230
  111    HA   LEU  14           HA       LEU  14   4.194  -2.107  -3.011
  112    HB2  LEU  14           HB2      LEU  14   3.856  -2.916  -0.680
  113    HB3  LEU  14           HB1      LEU  14   5.262  -3.953  -0.881
  114    HG   LEU  14           HG       LEU  14   6.665  -1.916  -1.152
  115   HD11  LEU  14          HD11      LEU  14   4.114  -0.450  -0.436
  116   HD12  LEU  14          HD12      LEU  14   4.934  -0.369  -1.987
  117   HD13  LEU  14          HD13      LEU  14   5.711   0.277  -0.547
  118   HD21  LEU  14          HD21      LEU  14   6.583  -1.221   1.212
  119   HD22  LEU  14          HD22      LEU  14   6.457  -2.967   1.031
  120   HD23  LEU  14          HD23      LEU  14   5.015  -2.015   1.373
  121    H    VAL  15           HN       VAL  15   5.541  -5.355  -3.169
  122    HA   VAL  15           HA       VAL  15   8.182  -4.563  -3.890
  123    HB   VAL  15           HB       VAL  15   6.816  -7.262  -4.298
  124   HG11  VAL  15          HG11      VAL  15   9.756  -6.586  -4.413
  125   HG12  VAL  15          HG12      VAL  15   8.751  -7.058  -5.776
  126   HG13  VAL  15          HG13      VAL  15   9.071  -8.211  -4.474
  127   HG21  VAL  15          HG21      VAL  15   8.674  -6.318  -2.120
  128   HG22  VAL  15          HG22      VAL  15   8.031  -7.953  -2.288
  129   HG23  VAL  15          HG23      VAL  15   6.940  -6.594  -1.958
  130    H    GLU  16           HN       GLU  16   5.260  -4.829  -5.647
  131    HA   GLU  16           HA       GLU  16   6.264  -5.217  -8.263
  132    HB2  GLU  16           HB2      GLU  16   3.728  -3.822  -7.343
  133    HB3  GLU  16           HB1      GLU  16   4.094  -4.270  -8.992
  134    HG2  GLU  16           HG2      GLU  16   3.896  -6.264  -6.746
  135    HG3  GLU  16           HG1      GLU  16   2.547  -5.805  -7.774
  136    H    SER  17           HN       SER  17   6.114  -2.476  -6.143
  137    HA   SER  17           HA       SER  17   6.765  -0.631  -8.314
  138    HB2  SER  17           HB2      SER  17   6.227  -0.034  -5.405
  139    HB3  SER  17           HB1      SER  17   6.279   1.114  -6.750
  140    HG   SER  17           HG       SER  17   4.586  -0.790  -7.396
  141    H    ALA  18           HN       ALA  18   8.478  -2.741  -6.621
  142    HA   ALA  18           HA       ALA  18  10.657  -0.877  -5.947
  143    HB1  ALA  18           HB1      ALA  18   9.984  -2.304  -4.070
  144    HB2  ALA  18           HB2      ALA  18  11.626  -2.694  -4.580
  145    HB3  ALA  18           HB3      ALA  18  10.296  -3.743  -5.040
  146    H    GLY  19           HN       GLY  19  10.292  -4.179  -7.229
  147    HA2  GLY  19           HA2      GLY  19  11.352  -5.236  -8.986
  148    HA3  GLY  19           HA1      GLY  19  11.901  -3.659  -9.534
  149    H    GLU  20           HN       GLU  20  13.784  -2.756  -8.501
  150    HA   GLU  20           HA       GLU  20  15.501  -4.705  -7.196
  151    HB2  GLU  20           HB2      GLU  20  16.344  -2.978  -9.534
  152    HB3  GLU  20           HB1      GLU  20  17.453  -3.846  -8.493
  153    HG2  GLU  20           HG2      GLU  20  16.377  -5.971  -9.169
  154    HG3  GLU  20           HG1      GLU  20  15.393  -5.069 -10.316
  155    H    THR  21           HN       THR  21  16.284  -3.953  -5.422
  156    HA   THR  21           HA       THR  21  16.992  -1.155  -5.116
  157    HB   THR  21           HB       THR  21  16.073  -1.360  -2.702
  158    HG1  THR  21           HG1      THR  21  14.189  -3.155  -3.279
  159   HG21  THR  21          HG21      THR  21  13.727  -0.910  -3.274
  160   HG22  THR  21          HG22      THR  21  13.994  -1.526  -4.907
  161   HG23  THR  21          HG23      THR  21  14.809  -0.053  -4.373
  162    H    ASP  22           HN       ASP  22  17.977  -1.656  -2.358
  163    HA   ASP  22           HA       ASP  22  20.034  -3.612  -2.996
  164    HB2  ASP  22           HB2      ASP  22  20.652  -1.445  -1.841
  165    HB3  ASP  22           HB1      ASP  22  19.723  -1.980  -0.449
  166    H    GLY  23           HN       GLY  23  17.042  -3.466  -1.648
  167    HA2  GLY  23           HA2      GLY  23  15.807  -5.378  -1.127
  168    HA3  GLY  23           HA1      GLY  23  17.271  -6.157  -0.520
  169    H    THR  24           HN       THR  24  14.527  -5.589   0.675
  170    HA   THR  24           HA       THR  24  15.472  -4.518   3.189
  171    HB   THR  24           HB       THR  24  13.100  -3.509   3.423
  172    HG1  THR  24           HG1      THR  24  12.591  -2.880   0.995
  173   HG21  THR  24          HG21      THR  24  15.079  -2.082   3.144
  174   HG22  THR  24          HG22      THR  24  13.688  -1.443   2.242
  175   HG23  THR  24          HG23      THR  24  14.978  -2.283   1.389
  176    H    ASP  25           HN       ASP  25  12.962  -4.924   4.571
  177    HA   ASP  25           HA       ASP  25  12.561  -7.791   4.138
  178    HB2  ASP  25           HB2      ASP  25  13.932  -7.434   6.175
  179    HB3  ASP  25           HB1      ASP  25  12.648  -6.408   6.827
  180    H    LEU  26           HN       LEU  26  10.647  -8.154   3.587
  181    HA   LEU  26           HA       LEU  26   8.417  -6.760   4.890
  182    HB2  LEU  26           HB2      LEU  26   8.690  -7.682   2.015
  183    HB3  LEU  26           HB1      LEU  26   7.112  -7.476   2.725
  184    HG   LEU  26           HG       LEU  26   7.705  -5.048   3.088
  185   HD11  LEU  26          HD11      LEU  26  10.112  -5.215   2.980
  186   HD12  LEU  26          HD12      LEU  26   9.494  -4.090   1.762
  187   HD13  LEU  26          HD13      LEU  26  10.022  -5.707   1.288
  188   HD21  LEU  26          HD21      LEU  26   7.702  -6.077   0.262
  189   HD22  LEU  26          HD22      LEU  26   7.321  -4.428   0.769
  190   HD23  LEU  26          HD23      LEU  26   6.284  -5.774   1.270
  191    H    SER  27           HN       SER  27  10.029  -9.138   5.502
  192    HA   SER  27           HA       SER  27   8.308 -11.391   4.895
  193    HB2  SER  27           HB2      SER  27  10.827 -11.489   4.626
  194    HB3  SER  27           HB1      SER  27  10.966 -11.301   6.372
  195    HG   SER  27           HG       SER  27  11.065 -13.466   5.598
  196    H    GLY  28           HN       GLY  28   9.587  -9.435   7.532
  197    HA2  GLY  28           HA2      GLY  28   7.808 -10.802   9.385
  198    HA3  GLY  28           HA1      GLY  28   9.127  -9.729   9.846
  199    H    ASP  29           HN       ASP  29   8.143  -8.143  10.934
  200    HA   ASP  29           HA       ASP  29   5.607  -7.161   9.962
  201    HB2  ASP  29           HB2      ASP  29   7.093  -6.513  12.498
  202    HB3  ASP  29           HB1      ASP  29   5.580  -5.739  12.013
  203    H    PHE  30           HN       PHE  30   6.361  -6.224   8.048
  204    HA   PHE  30           HA       PHE  30   7.910  -3.835   8.285
  205    HB2  PHE  30           HB2      PHE  30   7.381  -3.369   5.938
  206    HB3  PHE  30           HB1      PHE  30   8.024  -4.976   6.057
  207    HD1  PHE  30           HD1      PHE  30   6.013  -6.836   6.273
  208    HD2  PHE  30           HD2      PHE  30   5.626  -2.927   4.606
  209    HE1  PHE  30           HE1      PHE  30   4.047  -7.576   4.981
  210    HE2  PHE  30           HE2      PHE  30   3.667  -3.661   3.330
  211    HZ   PHE  30           HZ       PHE  30   2.881  -5.983   3.511
  212    H    LEU  31           HN       LEU  31   4.971  -4.579   9.234
  213    HA   LEU  31           HA       LEU  31   3.450  -2.276   8.446
  214    HB2  LEU  31           HB2      LEU  31   2.942  -4.178  10.738
  215    HB3  LEU  31           HB1      LEU  31   1.822  -3.005  10.096
  216    HG   LEU  31           HG       LEU  31   2.872  -5.420   8.623
  217   HD11  LEU  31          HD11      LEU  31   0.156  -4.798   9.769
  218   HD12  LEU  31          HD12      LEU  31   1.301  -6.004  10.379
  219   HD13  LEU  31          HD13      LEU  31   0.566  -6.210   8.790
  220   HD21  LEU  31          HD21      LEU  31   2.479  -3.589   7.083
  221   HD22  LEU  31          HD22      LEU  31   0.882  -3.312   7.798
  222   HD23  LEU  31          HD23      LEU  31   1.192  -4.801   6.916
  223    H    ASP  32           HN       ASP  32   5.814  -2.919  10.831
  224    HA   ASP  32           HA       ASP  32   4.915  -0.693  12.553
  225    HB2  ASP  32           HB2      ASP  32   5.337  -3.131  13.417
  226    HB3  ASP  32           HB1      ASP  32   7.041  -2.742  13.256
  227    H    LEU  33           HN       LEU  33   6.576  -0.857   9.903
  228    HA   LEU  33           HA       LEU  33   8.772   0.776  10.875
  229    HB2  LEU  33           HB2      LEU  33  10.374  -0.271   9.265
  230    HB3  LEU  33           HB1      LEU  33   9.494  -1.457  10.150
  231    HG   LEU  33           HG       LEU  33   8.099  -1.977   8.238
  232   HD11  LEU  33          HD11      LEU  33   8.705  -1.220   6.022
  233   HD12  LEU  33          HD12      LEU  33   9.908  -0.129   6.703
  234   HD13  LEU  33          HD13      LEU  33   8.193   0.142   7.016
  235   HD21  LEU  33          HD21      LEU  33   9.911  -3.111   7.018
  236   HD22  LEU  33          HD22      LEU  33  10.064  -3.196   8.790
  237   HD23  LEU  33          HD23      LEU  33  11.059  -2.070   7.875
  238    H    ARG  34           HN       ARG  34   9.647   2.285   8.773
  239    HA   ARG  34           HA       ARG  34   7.137   3.431   7.855
  240    HB2  ARG  34           HB2      ARG  34   9.691   4.606   8.758
  241    HB3  ARG  34           HB1      ARG  34   8.724   5.501   7.590
  242    HG2  ARG  34           HG2      ARG  34   6.826   5.402   9.145
  243    HG3  ARG  34           HG1      ARG  34   7.839   4.556  10.310
  244    HD2  ARG  34           HD2      ARG  34   9.194   6.393  10.652
  245    HD3  ARG  34           HD1      ARG  34   8.650   7.191   9.173
  246    HE   ARG  34           HE       ARG  34   6.422   7.278  10.313
  247   HH11  ARG  34          HH11      ARG  34   9.441   7.392  12.190
  248   HH12  ARG  34          HH12      ARG  34   8.847   8.441  13.374
  249   HH21  ARG  34          HH21      ARG  34   5.600   8.638  11.890
  250   HH22  ARG  34          HH22      ARG  34   6.523   9.214  13.229
  251    H    PHE  35           HN       PHE  35   7.212   4.721   5.902
  252    HA   PHE  35           HA       PHE  35   8.224   3.144   3.753
  253    HB2  PHE  35           HB2      PHE  35   6.854   5.850   3.715
  254    HB3  PHE  35           HB1      PHE  35   7.246   4.920   2.275
  255    HD1  PHE  35           HD2      PHE  35   6.266   2.443   2.249
  256    HD2  PHE  35           HD1      PHE  35   4.774   5.626   4.671
  257    HE1  PHE  35           HE2      PHE  35   4.130   1.289   2.448
  258    HE2  PHE  35           HE1      PHE  35   2.635   4.444   4.887
  259    HZ   PHE  35           HZ       PHE  35   2.295   2.290   3.711
  260    H    GLU  36           HN       GLU  36   9.153   6.062   5.346
  261    HA   GLU  36           HA       GLU  36  11.183   7.062   3.735
  262    HB2  GLU  36           HB2      GLU  36  10.400   8.258   5.665
  263    HB3  GLU  36           HB1      GLU  36  10.811   6.950   6.740
  264    HG2  GLU  36           HG2      GLU  36  12.320   8.786   7.047
  265    HG3  GLU  36           HG1      GLU  36  13.197   7.421   6.383
  266    H    ASP  37           HN       ASP  37  11.208   4.455   6.107
  267    HA   ASP  37           HA       ASP  37  14.001   3.955   6.075
  268    HB2  ASP  37           HB2      ASP  37  11.749   2.106   6.892
  269    HB3  ASP  37           HB1      ASP  37  13.450   1.797   7.185
  270    H    ILE  38           HN       ILE  38  11.300   2.595   4.326
  271    HA   ILE  38           HA       ILE  38  13.093   0.711   3.087
  272    HB   ILE  38           HB       ILE  38  11.074  -0.288   1.974
  273   HG12  ILE  38          HG12      ILE  38   9.578   1.657   3.758
  274   HG13  ILE  38          HG11      ILE  38   9.679   1.793   2.013
  275   HG21  ILE  38          HG21      ILE  38  10.234  -1.320   4.071
  276   HG22  ILE  38          HG22      ILE  38  10.952  -0.016   4.982
  277   HG23  ILE  38          HG23      ILE  38  11.990  -1.143   4.096
  278   HD11  ILE  38          HD11      ILE  38   7.553   0.850   2.708
  279   HD12  ILE  38          HD12      ILE  38   8.368  -0.450   3.570
  280   HD13  ILE  38          HD13      ILE  38   8.474  -0.350   1.810
  281    H    GLY  39           HN       GLY  39  12.582   3.748   2.444
  282    HA2  GLY  39           HA2      GLY  39  13.496   4.935   0.703
  283    HA3  GLY  39           HA1      GLY  39  13.763   3.440  -0.163
  284    H    TYR  40           HN       TYR  40  10.592   4.478   0.962
  285    HA   TYR  40           HA       TYR  40   9.864   4.878  -1.855
  286    HB2  TYR  40           HB2      TYR  40   8.225   3.922   0.498
  287    HB3  TYR  40           HB1      TYR  40   7.452   4.530  -0.963
  288    HD1  TYR  40           HD2      TYR  40   9.962   1.980   0.161
  289    HD2  TYR  40           HD1      TYR  40   6.962   3.005  -2.668
  290    HE1  TYR  40           HE2      TYR  40  10.144  -0.243  -0.849
  291    HE2  TYR  40           HE1      TYR  40   7.163   0.805  -3.696
  292    HH   TYR  40           HH       TYR  40   8.966  -1.736  -2.250
  293    H    ASP  41           HN       ASP  41   9.928   6.925  -2.358
  294    HA   ASP  41           HA       ASP  41   9.865   9.093  -0.496
  295    HB2  ASP  41           HB2      ASP  41   9.305   9.241  -3.473
  296    HB3  ASP  41           HB1      ASP  41   9.737  10.580  -2.433
  297    H    SER  42           HN       SER  42   7.797   8.712  -3.227
  298    HA   SER  42           HA       SER  42   5.314   8.894  -1.939
  299    HB2  SER  42           HB2      SER  42   5.391  11.143  -1.578
  300    HB3  SER  42           HB1      SER  42   6.732  11.356  -2.700
  301    H    LEU  43           HN       LEU  43   7.029   9.842  -4.912
  302    HA   LEU  43           HA       LEU  43   5.309   9.112  -6.867
  303    HB2  LEU  43           HB2      LEU  43   7.492  10.095  -7.290
  304    HB3  LEU  43           HB1      LEU  43   8.286   8.593  -6.846
  305    HG   LEU  43           HG       LEU  43   7.171   7.513  -8.802
  306   HD11  LEU  43          HD11      LEU  43   6.357  10.322  -9.489
  307   HD12  LEU  43          HD12      LEU  43   5.296   8.982  -9.049
  308   HD13  LEU  43          HD13      LEU  43   6.233   8.915 -10.544
  309   HD21  LEU  43          HD21      LEU  43   8.626   8.531 -10.486
  310   HD22  LEU  43          HD22      LEU  43   9.449   8.269  -8.944
  311   HD23  LEU  43          HD23      LEU  43   8.925   9.891  -9.395
  312    H    ALA  44           HN       ALA  44   7.815   6.852  -5.766
  313    HA   ALA  44           HA       ALA  44   6.853   4.568  -7.030
  314    HB1  ALA  44           HB1      ALA  44   9.115   4.773  -6.144
  315    HB2  ALA  44           HB2      ALA  44   8.328   3.322  -5.540
  316    HB3  ALA  44           HB3      ALA  44   8.478   4.739  -4.501
  317    H    LEU  45           HN       LEU  45   5.962   6.038  -4.079
  318    HA   LEU  45           HA       LEU  45   4.803   3.720  -2.861
  319    HB2  LEU  45           HB2      LEU  45   5.921   5.662  -1.663
  320    HB3  LEU  45           HB1      LEU  45   4.564   6.643  -2.105
  321    HG   LEU  45           HG       LEU  45   4.263   4.216  -0.321
  322   HD11  LEU  45          HD11      LEU  45   4.728   7.093   0.431
  323   HD12  LEU  45          HD12      LEU  45   5.857   5.746   0.665
  324   HD13  LEU  45          HD13      LEU  45   4.325   5.768   1.531
  325   HD21  LEU  45          HD21      LEU  45   2.218   5.074  -1.338
  326   HD22  LEU  45          HD22      LEU  45   2.621   6.691  -0.739
  327   HD23  LEU  45          HD23      LEU  45   2.267   5.386   0.411
  328    H    MET  46           HN       MET  46   3.588   6.576  -4.589
  329    HA   MET  46           HA       MET  46   0.854   5.828  -4.186
  330    HB2  MET  46           HB2      MET  46   2.029   7.830  -6.124
  331    HB3  MET  46           HB1      MET  46   0.309   7.573  -5.859
  332    HG2  MET  46           HG2      MET  46   0.589   8.233  -3.515
  333    HG3  MET  46           HG1      MET  46   2.302   8.552  -3.835
  334    HE1  MET  46           HE1      MET  46   0.388  10.675  -2.540
  335    HE2  MET  46           HE2      MET  46   0.771  12.136  -3.439
  336    HE3  MET  46           HE3      MET  46   2.076  11.067  -2.906
  337    H    GLU  47           HN       GLU  47   3.263   5.234  -6.644
  338    HA   GLU  47           HA       GLU  47   1.484   4.171  -8.518
  339    HB2  GLU  47           HB2      GLU  47   4.418   3.554  -8.079
  340    HB3  GLU  47           HB1      GLU  47   3.492   3.001  -9.482
  341    HG2  GLU  47           HG2      GLU  47   3.021   5.384 -10.041
  342    HG3  GLU  47           HG1      GLU  47   4.069   5.862  -8.724
  343    H    THR  48           HN       THR  48   2.942   2.798  -5.657
  344    HA   THR  48           HA       THR  48   2.193   0.129  -5.961
  345    HB   THR  48           HB       THR  48   2.284   1.792  -3.421
  346    HG1  THR  48           HG1      THR  48   4.219   0.772  -5.099
  347   HG21  THR  48          HG21      THR  48   1.162  -0.372  -3.130
  348   HG22  THR  48          HG22      THR  48   2.718  -0.350  -2.300
  349   HG23  THR  48          HG23      THR  48   2.554  -1.198  -3.839
  350    H    ALA  49           HN       ALA  49   0.523   2.803  -4.288
  351    HA   ALA  49           HA       ALA  49  -1.845   1.647  -3.424
  352    HB1  ALA  49           HB1      ALA  49  -1.136   3.934  -2.886
  353    HB2  ALA  49           HB2      ALA  49  -2.795   3.870  -3.484
  354    HB3  ALA  49           HB3      ALA  49  -1.504   4.423  -4.547
  355    H    ALA  50           HN       ALA  50  -1.304   3.287  -6.510
  356    HA   ALA  50           HA       ALA  50  -3.861   2.886  -7.559
  357    HB1  ALA  50           HB1      ALA  50  -2.927   3.494  -9.703
  358    HB2  ALA  50           HB2      ALA  50  -1.286   3.210  -9.090
  359    HB3  ALA  50           HB3      ALA  50  -2.266   4.518  -8.423
  360    H    ARG  51           HN       ARG  51  -1.143   0.678  -7.438
  361    HA   ARG  51           HA       ARG  51  -2.092  -1.081  -9.493
  362    HB2  ARG  51           HB2      ARG  51  -0.075  -1.562  -7.278
  363    HB3  ARG  51           HB1      ARG  51  -0.476  -2.759  -8.490
  364    HG2  ARG  51           HG2      ARG  51   0.675  -0.035  -9.045
  365    HG3  ARG  51           HG1      ARG  51   1.595  -1.545  -8.976
  366    HD2  ARG  51           HD2      ARG  51   0.322  -2.414 -10.876
  367    HD3  ARG  51           HD1      ARG  51  -0.670  -0.961 -10.874
  368    HE   ARG  51           HE       ARG  51   1.796   0.028 -11.165
  369   HH11  ARG  51          HH11      ARG  51   0.304  -2.717 -12.862
  370   HH12  ARG  51          HH12      ARG  51   0.847  -2.312 -14.387
  371   HH21  ARG  51          HH21      ARG  51   2.639   0.620 -13.343
  372   HH22  ARG  51          HH22      ARG  51   2.226  -0.366 -14.674
  373    H    LEU  52           HN       LEU  52  -2.690  -0.737  -6.116
  374    HA   LEU  52           HA       LEU  52  -4.063  -3.250  -5.947
  375    HB2  LEU  52           HB2      LEU  52  -3.819  -0.945  -4.019
  376    HB3  LEU  52           HB1      LEU  52  -4.783  -2.358  -3.672
  377    HG   LEU  52           HG       LEU  52  -1.833  -2.500  -4.265
  378   HD11  LEU  52          HD11      LEU  52  -1.541  -2.809  -1.846
  379   HD12  LEU  52          HD12      LEU  52  -3.252  -2.504  -1.588
  380   HD13  LEU  52          HD13      LEU  52  -2.213  -1.213  -2.188
  381   HD21  LEU  52          HD21      LEU  52  -3.091  -4.550  -4.696
  382   HD22  LEU  52          HD22      LEU  52  -3.790  -4.476  -3.087
  383   HD23  LEU  52          HD23      LEU  52  -2.048  -4.724  -3.281
  384    H    GLU  53           HN       GLU  53  -4.938   0.164  -6.075
  385    HA   GLU  53           HA       GLU  53  -7.705  -0.042  -5.823
  386    HB2  GLU  53           HB2      GLU  53  -6.131   1.891  -7.515
  387    HB3  GLU  53           HB1      GLU  53  -7.813   2.054  -7.101
  388    HG2  GLU  53           HG2      GLU  53  -7.216   2.229  -4.752
  389    HG3  GLU  53           HG1      GLU  53  -5.512   2.105  -5.177
  390    H    SER  54           HN       SER  54  -5.828   0.013  -8.838
  391    HA   SER  54           HA       SER  54  -8.082  -0.188 -10.537
  392    HB2  SER  54           HB2      SER  54  -6.322  -0.764 -12.288
  393    HB3  SER  54           HB1      SER  54  -6.063   0.749 -11.400
  394    HG   SER  54           HG       SER  54  -4.389  -0.098 -10.368
  395    H    ARG  55           HN       ARG  55  -6.015  -2.581  -9.133
  396    HA   ARG  55           HA       ARG  55  -6.879  -4.838 -10.627
  397    HB2  ARG  55           HB2      ARG  55  -4.724  -4.703  -9.533
  398    HB3  ARG  55           HB1      ARG  55  -5.504  -4.538  -7.969
  399    HG2  ARG  55           HG2      ARG  55  -6.264  -6.803  -8.097
  400    HG3  ARG  55           HG1      ARG  55  -5.521  -6.977  -9.706
  401    HD2  ARG  55           HD2      ARG  55  -3.369  -6.537  -8.830
  402    HD3  ARG  55           HD1      ARG  55  -4.015  -6.119  -7.251
  403    HE   ARG  55           HE       ARG  55  -4.217  -8.833  -8.358
  404   HH11  ARG  55          HH11      ARG  55  -3.151  -6.554  -5.806
  405   HH12  ARG  55          HH12      ARG  55  -2.868  -7.776  -4.663
  406   HH21  ARG  55          HH21      ARG  55  -3.659 -10.532  -6.660
  407   HH22  ARG  55          HH22      ARG  55  -3.070  -9.912  -5.147
  408    H    TYR  56           HN       TYR  56  -7.819  -3.548  -7.453
  409    HA   TYR  56           HA       TYR  56  -9.794  -5.657  -7.230
  410    HB2  TYR  56           HB2      TYR  56  -8.914  -3.560  -5.238
  411    HB3  TYR  56           HB1      TYR  56 -10.255  -4.663  -4.942
  412    HD1  TYR  56           HD1      TYR  56  -9.826  -7.088  -4.650
  413    HD2  TYR  56           HD2      TYR  56  -6.628  -4.338  -5.212
  414    HE1  TYR  56           HE1      TYR  56  -8.245  -8.756  -3.781
  415    HE2  TYR  56           HE2      TYR  56  -5.041  -6.016  -4.386
  416    HH   TYR  56           HH       TYR  56  -5.962  -9.302  -3.774
  417    H    GLY  57           HN       GLY  57  -9.687  -2.369  -8.116
  418    HA2  GLY  57           HA2      GLY  57 -11.366  -1.382  -9.394
  419    HA3  GLY  57           HA1      GLY  57 -12.531  -2.515  -8.717
  420    H    VAL  58           HN       VAL  58 -10.235  -0.365  -7.063
  421    HA   VAL  58           HA       VAL  58 -12.587   0.926  -5.873
  422    HB   VAL  58           HB       VAL  58 -11.661   1.054  -3.751
  423   HG11  VAL  58          HG11      VAL  58 -12.199  -1.275  -4.264
  424   HG12  VAL  58          HG12      VAL  58 -10.884  -1.145  -3.082
  425   HG13  VAL  58          HG13      VAL  58 -10.514  -1.512  -4.754
  426   HG21  VAL  58          HG21      VAL  58  -9.449   1.990  -4.331
  427   HG22  VAL  58          HG22      VAL  58  -8.874   0.376  -4.752
  428   HG23  VAL  58          HG23      VAL  58  -9.353   0.750  -3.087
  429    H    SER  59           HN       SER  59 -11.713   3.170  -4.743
  430    HA   SER  59           HA       SER  59  -9.871   4.510  -6.495
  431    HB2  SER  59           HB2      SER  59 -12.115   4.729  -7.591
  432    HB3  SER  59           HB1      SER  59 -12.741   5.461  -6.115
  433    HG   SER  59           HG       SER  59 -10.452   6.642  -7.052
  434    H    ILE  60           HN       ILE  60  -8.554   5.404  -5.056
  435    HA   ILE  60           HA       ILE  60  -9.618   6.188  -2.469
  436    HB   ILE  60           HB       ILE  60  -6.755   5.801  -3.423
  437   HG12  ILE  60          HG12      ILE  60  -8.455   4.233  -1.471
  438   HG13  ILE  60          HG11      ILE  60  -8.110   3.739  -3.119
  439   HG21  ILE  60          HG21      ILE  60  -6.074   6.117  -1.098
  440   HG22  ILE  60          HG22      ILE  60  -7.731   6.514  -0.635
  441   HG23  ILE  60          HG23      ILE  60  -6.817   7.576  -1.732
  442   HD11  ILE  60          HD11      ILE  60  -6.762   2.534  -1.496
  443   HD12  ILE  60          HD12      ILE  60  -6.101   4.061  -0.894
  444   HD13  ILE  60          HD13      ILE  60  -5.740   3.538  -2.526
  445    HA   PRO  61           HA       PRO  61  -9.599  10.440  -3.768
  446    HB2  PRO  61           HB2      PRO  61 -10.032  11.071  -0.943
  447    HB3  PRO  61           HB1      PRO  61 -11.108  11.311  -2.329
  448    HG2  PRO  61           HG2      PRO  61 -11.629   9.451  -0.442
  449    HG3  PRO  61           HG1      PRO  61 -12.038   9.226  -2.152
  450    HD2  PRO  61           HD2      PRO  61  -9.695   8.154  -0.625
  451    HD3  PRO  61           HD1      PRO  61 -10.764   7.327  -1.779
  452    H    ASP  62           HN       ASP  62  -8.412  12.271  -3.569
  453    HA   ASP  62           HA       ASP  62  -5.682  12.011  -3.168
  454    HB2  ASP  62           HB2      ASP  62  -5.605  14.420  -3.739
  455    HB3  ASP  62           HB1      ASP  62  -6.612  13.498  -4.838
  456    H    ASP  63           HN       ASP  63  -8.077  13.605  -1.137
  457    HA   ASP  63           HA       ASP  63  -6.245  14.663   0.786
  458    HB2  ASP  63           HB2      ASP  63  -8.478  15.572   0.732
  459    HB3  ASP  63           HB1      ASP  63  -9.192  13.988   0.978
  460    H    VAL  64           HN       VAL  64  -7.551  11.526   0.344
  461    HA   VAL  64           HA       VAL  64  -7.191  10.607   3.020
  462    HB   VAL  64           HB       VAL  64  -7.856   9.129   0.445
  463   HG11  VAL  64          HG11      VAL  64  -7.896   8.050   3.255
  464   HG12  VAL  64          HG12      VAL  64  -6.764   7.592   1.981
  465   HG13  VAL  64          HG13      VAL  64  -8.471   7.223   1.807
  466   HG21  VAL  64          HG21      VAL  64 -10.078   9.019   1.395
  467   HG22  VAL  64          HG22      VAL  64  -9.539  10.688   1.219
  468   HG23  VAL  64          HG23      VAL  64  -9.526   9.914   2.809
  469    H    ALA  65           HN       ALA  65  -5.163  10.990   0.350
  470    HA   ALA  65           HA       ALA  65  -3.316   8.863   0.633
  471    HB1  ALA  65           HB1      ALA  65  -1.836  10.158  -0.748
  472    HB2  ALA  65           HB2      ALA  65  -2.674  11.637  -0.319
  473    HB3  ALA  65           HB3      ALA  65  -3.488  10.459  -1.336
  474    H    GLY  66           HN       GLY  66  -3.490  12.014   2.181
  475    HA2  GLY  66           HA2      GLY  66  -0.890  11.537   3.373
  476    HA3  GLY  66           HA1      GLY  66  -1.765  13.058   3.436
  477    H    ARG  67           HN       ARG  67  -3.213   9.982   4.222
  478    HA   ARG  67           HA       ARG  67  -3.397  10.919   6.998
  479    HB2  ARG  67           HB2      ARG  67  -5.266   9.087   5.488
  480    HB3  ARG  67           HB1      ARG  67  -5.434   9.499   7.187
  481    HG2  ARG  67           HG2      ARG  67  -5.655  11.875   6.559
  482    HG3  ARG  67           HG1      ARG  67  -5.605  11.390   4.861
  483    HD2  ARG  67           HD2      ARG  67  -7.606  10.073   5.126
  484    HD3  ARG  67           HD1      ARG  67  -7.689  10.458   6.850
  485    HE   ARG  67           HE       ARG  67  -7.835  12.587   4.802
  486   HH11  ARG  67          HH11      ARG  67  -9.492  10.861   7.510
  487   HH12  ARG  67          HH12      ARG  67 -10.610  12.112   7.709
  488   HH21  ARG  67          HH21      ARG  67  -9.422  14.110   5.073
  489   HH22  ARG  67          HH22      ARG  67 -10.629  13.982   6.299
  490    H    VAL  68           HN       VAL  68  -1.497   8.947   5.378
  491    HA   VAL  68           HA       VAL  68  -1.529   6.862   7.454
  492    HB   VAL  68           HB       VAL  68  -0.354   5.375   5.786
  493   HG11  VAL  68          HG11      VAL  68  -2.714   5.097   6.259
  494   HG12  VAL  68          HG12      VAL  68  -2.342   4.759   4.572
  495   HG13  VAL  68          HG13      VAL  68  -3.121   6.284   5.015
  496   HG21  VAL  68          HG21      VAL  68  -1.246   7.456   3.770
  497   HG22  VAL  68          HG22      VAL  68  -0.498   5.900   3.414
  498   HG23  VAL  68          HG23      VAL  68   0.424   7.144   4.260
  499    H    ASP  69           HN       ASP  69   0.537   5.954   8.070
  500    HA   ASP  69           HA       ASP  69   2.927   7.479   7.271
  501    HB2  ASP  69           HB2      ASP  69   2.094   8.207   9.569
  502    HB3  ASP  69           HB1      ASP  69   2.366   6.557  10.111
  503    H    THR  70           HN       THR  70   1.509   4.582   8.688
  504    HA   THR  70           HA       THR  70   3.903   3.112   7.850
  505    HB   THR  70           HB       THR  70   3.230   1.405   9.586
  506    HG1  THR  70           HG1      THR  70   1.390   3.499  10.163
  507   HG21  THR  70          HG21      THR  70   3.908   4.196  10.537
  508   HG22  THR  70          HG22      THR  70   5.046   2.978   9.940
  509   HG23  THR  70          HG23      THR  70   4.184   2.707  11.454
  510    HA   PRO  71           HA       PRO  71   1.692   0.573   4.964
  511    HB2  PRO  71           HB2      PRO  71   2.944  -1.737   6.372
  512    HB3  PRO  71           HB1      PRO  71   2.910  -1.358   4.647
  513    HG2  PRO  71           HG2      PRO  71   5.101  -0.930   6.009
  514    HG3  PRO  71           HG1      PRO  71   4.543   0.301   4.857
  515    HD2  PRO  71           HD2      PRO  71   4.306   0.242   7.862
  516    HD3  PRO  71           HD1      PRO  71   4.717   1.604   6.786
  517    H    ARG  72           HN       ARG  72   1.417  -0.130   8.357
  518    HA   ARG  72           HA       ARG  72  -0.620  -2.063   8.420
  519    HB2  ARG  72           HB2      ARG  72   0.493  -1.381  10.442
  520    HB3  ARG  72           HB1      ARG  72  -0.050   0.274  10.258
  521    HG2  ARG  72           HG2      ARG  72  -2.402  -0.604  10.531
  522    HG3  ARG  72           HG1      ARG  72  -1.691  -2.156  10.967
  523    HD2  ARG  72           HD2      ARG  72  -2.251  -0.813  12.950
  524    HD3  ARG  72           HD1      ARG  72  -0.510  -1.101  12.833
  525    HE   ARG  72           HE       ARG  72  -1.662   1.388  11.819
  526   HH11  ARG  72          HH11      ARG  72   0.352  -0.225  14.286
  527   HH12  ARG  72          HH12      ARG  72   1.230   1.191  14.643
  528   HH21  ARG  72          HH21      ARG  72  -0.427   3.392  12.455
  529   HH22  ARG  72          HH22      ARG  72   0.757   3.203  13.646
  530    H    GLU  73           HN       GLU  73  -0.758   1.414   8.343
  531    HA   GLU  73           HA       GLU  73  -3.568   1.671   8.480
  532    HB2  GLU  73           HB2      GLU  73  -1.396   3.627   7.745
  533    HB3  GLU  73           HB1      GLU  73  -3.041   4.034   8.263
  534    HG2  GLU  73           HG2      GLU  73  -2.668   3.365  10.442
  535    HG3  GLU  73           HG1      GLU  73  -1.328   2.317  10.018
  536    H    LEU  74           HN       LEU  74  -1.274   1.282   5.964
  537    HA   LEU  74           HA       LEU  74  -2.788   2.330   3.752
  538    HB2  LEU  74           HB2      LEU  74  -0.254   1.727   3.941
  539    HB3  LEU  74           HB1      LEU  74  -0.751   0.089   3.593
  540    HG   LEU  74           HG       LEU  74  -0.983   2.498   1.760
  541   HD11  LEU  74          HD11      LEU  74   0.764   0.060   1.623
  542   HD12  LEU  74          HD12      LEU  74   1.271   1.691   2.012
  543   HD13  LEU  74          HD13      LEU  74   0.654   1.310   0.394
  544   HD21  LEU  74          HD21      LEU  74  -1.706   0.952   0.031
  545   HD22  LEU  74          HD22      LEU  74  -2.854   0.955   1.375
  546   HD23  LEU  74          HD23      LEU  74  -1.714  -0.384   1.182
  547    H    LEU  75           HN       LEU  75  -2.392  -0.810   5.311
  548    HA   LEU  75           HA       LEU  75  -4.125  -2.295   3.585
  549    HB2  LEU  75           HB2      LEU  75  -2.370  -3.295   5.081
  550    HB3  LEU  75           HB1      LEU  75  -3.349  -2.858   6.455
  551    HG   LEU  75           HG       LEU  75  -5.160  -4.333   5.552
  552   HD11  LEU  75          HD11      LEU  75  -4.447  -4.366   3.218
  553   HD12  LEU  75          HD12      LEU  75  -4.569  -5.996   3.885
  554   HD13  LEU  75          HD13      LEU  75  -2.984  -5.248   3.684
  555   HD21  LEU  75          HD21      LEU  75  -2.501  -5.629   6.149
  556   HD22  LEU  75          HD22      LEU  75  -4.082  -6.400   6.280
  557   HD23  LEU  75          HD23      LEU  75  -3.669  -5.058   7.339
  558    H    ASP  76           HN       ASP  76  -4.463  -0.866   6.850
  559    HA   ASP  76           HA       ASP  76  -7.113  -1.368   7.443
  560    HB2  ASP  76           HB2      ASP  76  -5.395   1.031   8.054
  561    HB3  ASP  76           HB1      ASP  76  -7.069   1.007   8.543
  562    H    LEU  77           HN       LEU  77  -5.802   1.233   5.515
  563    HA   LEU  77           HA       LEU  77  -8.111   2.739   5.115
  564    HB2  LEU  77           HB2      LEU  77  -5.631   3.261   4.613
  565    HB3  LEU  77           HB1      LEU  77  -5.914   2.433   3.098
  566    HG   LEU  77           HG       LEU  77  -5.977   4.913   2.931
  567   HD11  LEU  77          HD11      LEU  77  -8.018   5.114   1.608
  568   HD12  LEU  77          HD12      LEU  77  -8.607   3.597   2.296
  569   HD13  LEU  77          HD13      LEU  77  -7.168   3.608   1.274
  570   HD21  LEU  77          HD21      LEU  77  -6.886   5.392   5.109
  571   HD22  LEU  77          HD22      LEU  77  -8.426   4.658   4.667
  572   HD23  LEU  77          HD23      LEU  77  -7.887   6.126   3.856
  573    H    ILE  78           HN       ILE  78  -6.726   0.119   3.162
  574    HA   ILE  78           HA       ILE  78  -8.753   0.408   1.176
  575    HB   ILE  78           HB       ILE  78  -6.652  -1.745   1.538
  576   HG12  ILE  78          HG12      ILE  78  -6.863   0.635  -0.331
  577   HG13  ILE  78          HG11      ILE  78  -5.751   0.456   1.011
  578   HG21  ILE  78          HG21      ILE  78  -7.209  -2.452  -0.765
  579   HG22  ILE  78          HG22      ILE  78  -8.574  -1.319  -0.749
  580   HG23  ILE  78          HG23      ILE  78  -8.545  -2.687   0.363
  581   HD11  ILE  78          HD11      ILE  78  -4.637   0.092  -1.118
  582   HD12  ILE  78          HD12      ILE  78  -5.748  -1.218  -1.490
  583   HD13  ILE  78          HD13      ILE  78  -4.631  -1.367  -0.133
  584    H    ASN  79           HN       ASN  79  -8.122  -1.871   3.812
  585    HA   ASN  79           HA       ASN  79 -10.299  -3.591   3.353
  586    HB2  ASN  79           HB2      ASN  79  -8.995  -2.835   5.975
  587    HB3  ASN  79           HB1      ASN  79 -10.168  -4.117   5.793
  588   HD21  ASN  79          HD21      ASN  79  -9.005  -4.984   3.188
  589   HD22  ASN  79          HD22      ASN  79  -7.569  -5.827   3.646
  590    H    GLY  80           HN       GLY  80 -10.055  -0.545   5.051
  591    HA2  GLY  80           HA2      GLY  80 -12.691  -0.594   6.081
  592    HA3  GLY  80           HA1      GLY  80 -11.635   0.809   5.971
  593    H    ALA  81           HN       ALA  81 -11.250   0.824   3.162
  594    HA   ALA  81           HA       ALA  81 -13.507   2.291   2.379
  595    HB1  ALA  81           HB1      ALA  81 -11.334   1.144   0.630
  596    HB2  ALA  81           HB2      ALA  81 -11.250   2.693   1.476
  597    HB3  ALA  81           HB3      ALA  81 -12.438   2.445   0.198
  598    H    LEU  82           HN       LEU  82 -12.484  -0.980   1.686
  599    HA   LEU  82           HA       LEU  82 -14.406  -1.683  -0.225
  600    HB2  LEU  82           HB2      LEU  82 -13.141  -3.465   1.869
  601    HB3  LEU  82           HB1      LEU  82 -14.086  -4.039   0.522
  602    HG   LEU  82           HG       LEU  82 -11.432  -2.600   0.314
  603   HD11  LEU  82          HD11      LEU  82 -11.228  -4.885   1.120
  604   HD12  LEU  82          HD12      LEU  82 -10.609  -4.707  -0.520
  605   HD13  LEU  82          HD13      LEU  82 -12.175  -5.470  -0.252
  606   HD21  LEU  82          HD21      LEU  82 -11.592  -3.084  -2.058
  607   HD22  LEU  82          HD22      LEU  82 -12.911  -2.041  -1.530
  608   HD23  LEU  82          HD23      LEU  82 -13.210  -3.750  -1.825
  609    H    ALA  83           HN       ALA  83 -14.741  -1.491   3.250
  610    HA   ALA  83           HA       ALA  83 -17.241  -2.887   3.296
  611    HB1  ALA  83           HB1      ALA  83 -15.715  -2.879   5.217
  612    HB2  ALA  83           HB2      ALA  83 -17.322  -2.267   5.641
  613    HB3  ALA  83           HB3      ALA  83 -15.985  -1.143   5.389
  614    H    GLU  84           HN       GLU  84 -16.398   0.193   2.361
  615    HA   GLU  84           HA       GLU  84 -19.038   1.336   2.964
  616    HB2  GLU  84           HB2      GLU  84 -16.962   2.614   3.520
  617    HB3  GLU  84           HB1      GLU  84 -16.533   2.609   1.825
  618    HG2  GLU  84           HG2      GLU  84 -17.398   4.717   2.260
  619    HG3  GLU  84           HG1      GLU  84 -18.704   3.883   1.429
  620    H    ALA  85           HN       ALA  85 -16.970   0.098   0.495
  621    HA   ALA  85           HA       ALA  85 -18.410   1.266  -1.715
  622    HB1  ALA  85           HB1      ALA  85 -16.147  -0.726  -1.760
  623    HB2  ALA  85           HB2      ALA  85 -15.972   1.028  -1.822
  624    HB3  ALA  85           HB3      ALA  85 -16.781   0.180  -3.139
  625    H    ALA  86           HN       ALA  86 -18.043  -1.949  -0.233
  626    HA   ALA  86           HA       ALA  86 -19.289  -3.782  -0.247
  627    HB1  ALA  86           HB1      ALA  86 -21.246  -2.270  -0.030
  628    HB2  ALA  86           HB2      ALA  86 -21.617  -3.762  -0.894
  629    HB3  ALA  86           HB3      ALA  86 -21.390  -2.252  -1.788
  630   H28A  SXR 101          H28A      SXR  42   5.169  10.877  -6.716
  631   H28B  SXR 101          H28B      SXR  42   3.757  10.694  -5.685
  632   H30A  SXR 101          H30A      SXR  42   3.748   9.390  -7.762
  633   H30B  SXR 101          H30B      SXR  42   2.692   9.986  -9.035
  634   H30C  SXR 101          H30C      SXR  42   2.065   9.771  -7.394
  635   H31A  SXR 101          H31A      SXR  42   1.752  11.984  -6.273
  636   H31B  SXR 101          H31B      SXR  42   1.318  12.157  -7.977
  637   H31C  SXR 101          H31C      SXR  42   2.350  13.362  -7.204
  638   H32A  SXR 101          H32A      SXR  42   4.961  11.603  -9.161
  639   H33A  SXR 101          H33A      SXR  42   4.403  14.045  -9.256
  640   H36A  SXR 101          H36A      SXR  42   2.180  10.812  -9.816
  641   H37A  SXR 101          H37A      SXR  42   0.659  12.443 -11.381
  642   H37B  SXR 101          H37B      SXR  42   1.897  11.811 -12.475
  643   H38A  SXR 101          H38A      SXR  42  -0.208  10.442 -12.454
  644   H38B  SXR 101          H38B      SXR  42   1.221   9.556 -12.018
  645   H41A  SXR 101          H41A      SXR  42  -0.162  11.753  -9.732
  646   H42A  SXR 101          H42A      SXR  42  -1.180   9.592  -7.972
  647   H42B  SXR 101          H42B      SXR  42  -0.164  10.907  -7.477
  648   H43A  SXR 101          H43A      SXR  42  -1.959  12.537  -8.302
  649   H43B  SXR 101          H43B      SXR  42  -2.063  11.704  -6.768
  650   H11A  SXR 101          H11A      SXR  42  -4.673   5.322  -1.529
  651   H10A  SXR 101          H10A      SXR  42  -3.362   3.746  -0.149
  652    H9A  SXR 101           H9A      SXR  42  -1.009   4.293   0.473
  653    H8A  SXR 101           H8A      SXR  42  -0.010   6.446  -0.298
  654    H7A  SXR 101           H7A      SXR  42  -1.340   8.014  -1.674
  655    H5A  SXR 101           H5A      SXR  42  -4.784   8.232  -2.188
  656    H5B  SXR 101           H5B      SXR  42  -3.288   8.521  -2.109
  657    H4A  SXR 101           H4A      SXR  42  -2.951   7.055  -4.528
  658    H4B  SXR 101           H4B      SXR  42  -4.329   6.705  -4.016
  659    H2A  SXR 101           H2A      SXR  42  -3.127   8.588  -6.747
  660    H2B  SXR 101           H2B      SXR  42  -4.612   8.431  -6.614
  661    H1A  SXR 101           H1A      SXR  42  -4.843  11.248  -6.201
  662    H1B  SXR 101           H1B      SXR  42  -3.386  10.887  -5.943
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1 -19.293  -5.986  -4.323
    2    H2   MET   1           HT2      MET   1 -17.843  -5.243  -3.750
    3    H3   MET   1           HT3      MET   1 -19.184  -5.388  -2.800
    4    HA   MET   1           HA       MET   1 -19.046  -7.564  -2.408
    5    HB2  MET   1           HB2      MET   1 -18.838  -8.301  -4.708
    6    HB3  MET   1           HB1      MET   1 -17.174  -7.756  -4.788
    7    HG2  MET   1           HG2      MET   1 -17.383 -10.188  -4.560
    8    HG3  MET   1           HG1      MET   1 -16.488  -9.467  -3.227
    9    HE1  MET   1           HE1      MET   1 -20.396  -9.476  -3.795
   10    HE2  MET   1           HE2      MET   1 -20.876 -10.935  -2.923
   11    HE3  MET   1           HE3      MET   1 -19.902 -11.064  -4.383
   12    H    ALA   2           HN       ALA   2 -17.898  -8.146  -0.655
   13    HA   ALA   2           HA       ALA   2 -15.545  -6.550  -0.130
   14    HB1  ALA   2           HB1      ALA   2 -15.817  -7.236   2.204
   15    HB2  ALA   2           HB2      ALA   2 -17.137  -8.324   1.730
   16    HB3  ALA   2           HB3      ALA   2 -17.323  -6.583   1.550
   17    H    THR   3           HN       THR   3 -13.876  -7.494  -1.151
   18    HA   THR   3           HA       THR   3 -13.163 -10.187  -0.268
   19    HB   THR   3           HB       THR   3 -13.657 -10.386  -2.589
   20    HG1  THR   3           HG1      THR   3 -10.867 -10.232  -2.231
   21   HG21  THR   3          HG21      THR   3 -11.836  -8.031  -3.175
   22   HG22  THR   3          HG22      THR   3 -13.597  -8.038  -3.308
   23   HG23  THR   3          HG23      THR   3 -12.627  -9.033  -4.388
   24    H    LEU   4           HN       LEU   4 -12.103  -9.339   1.507
   25    HA   LEU   4           HA       LEU   4 -10.346  -7.183   1.401
   26    HB2  LEU   4           HB2      LEU   4 -10.860  -9.262   3.472
   27    HB3  LEU   4           HB1      LEU   4  -9.495  -8.178   3.621
   28    HG   LEU   4           HG       LEU   4 -11.090  -6.259   3.539
   29   HD11  LEU   4          HD11      LEU   4 -13.215  -8.345   3.776
   30   HD12  LEU   4          HD12      LEU   4 -12.943  -7.266   2.402
   31   HD13  LEU   4          HD13      LEU   4 -13.409  -6.604   3.978
   32   HD21  LEU   4          HD21      LEU   4 -11.479  -8.277   5.732
   33   HD22  LEU   4          HD22      LEU   4 -11.878  -6.559   5.835
   34   HD23  LEU   4          HD23      LEU   4 -10.202  -7.063   5.619
   35    H    LEU   5           HN       LEU   5  -8.488  -7.001   0.759
   36    HA   LEU   5           HA       LEU   5  -6.764  -9.167   0.019
   37    HB2  LEU   5           HB2      LEU   5  -5.085  -7.441  -0.545
   38    HB3  LEU   5           HB1      LEU   5  -6.624  -7.141  -1.300
   39    HG   LEU   5           HG       LEU   5  -5.997  -5.683   1.246
   40   HD11  LEU   5          HD11      LEU   5  -3.923  -5.496  -0.057
   41   HD12  LEU   5          HD12      LEU   5  -4.784  -3.962   0.001
   42   HD13  LEU   5          HD13      LEU   5  -4.845  -4.946  -1.450
   43   HD21  LEU   5          HD21      LEU   5  -7.477  -5.025  -1.312
   44   HD22  LEU   5          HD22      LEU   5  -7.050  -3.830  -0.117
   45   HD23  LEU   5          HD23      LEU   5  -8.166  -5.089   0.326
   46    H    THR   6           HN       THR   6  -4.753  -9.622   0.971
   47    HA   THR   6           HA       THR   6  -4.871  -9.230   3.862
   48    HB   THR   6           HB       THR   6  -3.233 -11.064   3.962
   49    HG1  THR   6           HG1      THR   6  -3.497 -11.038   1.113
   50   HG21  THR   6          HG21      THR   6  -5.634 -11.652   3.959
   51   HG22  THR   6          HG22      THR   6  -4.675 -12.873   3.120
   52   HG23  THR   6          HG23      THR   6  -5.611 -11.705   2.195
   53    H    THR   7           HN       THR   7  -2.389  -9.452   4.728
   54    HA   THR   7           HA       THR   7  -1.081  -7.077   3.920
   55    HB   THR   7           HB       THR   7   0.086  -9.260   5.647
   56    HG1  THR   7           HG1      THR   7  -1.162  -7.572   7.208
   57   HG21  THR   7          HG21      THR   7   1.079  -7.330   6.834
   58   HG22  THR   7          HG22      THR   7   0.249  -6.232   5.735
   59   HG23  THR   7          HG23      THR   7   1.502  -7.308   5.123
   60    H    ASP   8           HN       ASP   8  -1.080 -10.313   2.826
   61    HA   ASP   8           HA       ASP   8   1.674 -10.316   1.939
   62    HB2  ASP   8           HB2      ASP   8   0.101 -12.357   2.607
   63    HB3  ASP   8           HB1      ASP   8  -0.336 -12.272   0.897
   64    H    ASP   9           HN       ASP   9  -1.538  -9.736   0.687
   65    HA   ASP   9           HA       ASP   9  -0.934  -9.406  -2.039
   66    HB2  ASP   9           HB2      ASP   9  -3.019  -7.957  -0.366
   67    HB3  ASP   9           HB1      ASP   9  -2.882  -7.829  -2.111
   68    H    LEU  10           HN       LEU  10  -0.973  -7.161   0.644
   69    HA   LEU  10           HA       LEU  10  -0.082  -4.876  -0.730
   70    HB2  LEU  10           HB2      LEU  10  -1.059  -4.714   1.478
   71    HB3  LEU  10           HB1      LEU  10   0.252  -5.642   2.179
   72    HG   LEU  10           HG       LEU  10   1.810  -3.789   1.653
   73   HD11  LEU  10          HD11      LEU  10  -0.673  -2.317   0.788
   74   HD12  LEU  10          HD12      LEU  10   0.669  -2.809  -0.246
   75   HD13  LEU  10          HD13      LEU  10   0.918  -1.600   1.013
   76   HD21  LEU  10          HD21      LEU  10   0.988  -2.249   3.377
   77   HD22  LEU  10          HD22      LEU  10   0.767  -3.929   3.863
   78   HD23  LEU  10          HD23      LEU  10  -0.607  -2.997   3.279
   79    H    ARG  11           HN       ARG  11   1.666  -7.428   0.933
   80    HA   ARG  11           HA       ARG  11   4.240  -6.424   0.646
   81    HB2  ARG  11           HB2      ARG  11   3.694  -8.296   2.155
   82    HB3  ARG  11           HB1      ARG  11   3.323  -9.310   0.779
   83    HG2  ARG  11           HG2      ARG  11   5.602  -9.311   0.071
   84    HG3  ARG  11           HG1      ARG  11   6.019  -8.098   1.266
   85    HD2  ARG  11           HD2      ARG  11   6.769 -10.251   2.028
   86    HD3  ARG  11           HD1      ARG  11   5.472  -9.691   3.074
   87    HE   ARG  11           HE       ARG  11   4.124 -11.302   1.378
   88   HH11  ARG  11          HH11      ARG  11   7.130 -11.796   3.152
   89   HH12  ARG  11          HH12      ARG  11   6.950 -13.472   3.333
   90   HH21  ARG  11          HH21      ARG  11   3.776 -13.528   1.666
   91   HH22  ARG  11          HH22      ARG  11   4.926 -14.504   2.497
   92    H    ARG  12           HN       ARG  12   2.411  -8.586  -1.494
   93    HA   ARG  12           HA       ARG  12   4.402  -8.976  -3.430
   94    HB2  ARG  12           HB2      ARG  12   1.402  -8.991  -3.741
   95    HB3  ARG  12           HB1      ARG  12   2.537  -9.484  -4.991
   96    HG2  ARG  12           HG2      ARG  12   3.333 -11.265  -3.611
   97    HG3  ARG  12           HG1      ARG  12   2.300 -10.720  -2.282
   98    HD2  ARG  12           HD2      ARG  12   0.324 -11.110  -3.616
   99    HD3  ARG  12           HD1      ARG  12   1.313 -11.653  -4.976
  100    HE   ARG  12           HE       ARG  12   2.056 -13.468  -3.553
  101   HH11  ARG  12          HH11      ARG  12  -1.081 -11.947  -2.905
  102   HH12  ARG  12          HH12      ARG  12  -1.603 -13.147  -1.812
  103   HH21  ARG  12          HH21      ARG  12   1.330 -15.108  -2.106
  104   HH22  ARG  12          HH22      ARG  12  -0.210 -14.998  -1.356
  105    H    ALA  13           HN       ALA  13   1.754  -6.618  -3.346
  106    HA   ALA  13           HA       ALA  13   2.379  -5.406  -5.805
  107    HB1  ALA  13           HB1      ALA  13   0.185  -5.182  -4.713
  108    HB2  ALA  13           HB2      ALA  13   0.884  -3.621  -5.127
  109    HB3  ALA  13           HB3      ALA  13   0.932  -4.197  -3.458
  110    H    LEU  14           HN       LEU  14   3.485  -4.777  -2.552
  111    HA   LEU  14           HA       LEU  14   4.737  -2.312  -3.096
  112    HB2  LEU  14           HB2      LEU  14   4.129  -3.231  -0.818
  113    HB3  LEU  14           HB1      LEU  14   5.511  -4.301  -0.977
  114    HG   LEU  14           HG       LEU  14   7.003  -2.334  -1.071
  115   HD11  LEU  14          HD11      LEU  14   4.484  -0.759  -0.490
  116   HD12  LEU  14          HD12      LEU  14   5.443  -0.689  -1.975
  117   HD13  LEU  14          HD13      LEU  14   6.125  -0.121  -0.464
  118   HD21  LEU  14          HD21      LEU  14   5.186  -2.416   1.325
  119   HD22  LEU  14          HD22      LEU  14   6.819  -1.730   1.287
  120   HD23  LEU  14          HD23      LEU  14   6.580  -3.454   1.040
  121    H    VAL  15           HN       VAL  15   5.802  -5.647  -3.343
  122    HA   VAL  15           HA       VAL  15   8.520  -5.029  -3.995
  123    HB   VAL  15           HB       VAL  15   6.902  -7.549  -4.498
  124   HG11  VAL  15          HG11      VAL  15   9.051  -8.687  -4.800
  125   HG12  VAL  15          HG12      VAL  15   9.893  -7.141  -4.673
  126   HG13  VAL  15          HG13      VAL  15   8.789  -7.442  -6.018
  127   HG21  VAL  15          HG21      VAL  15   8.890  -6.900  -2.321
  128   HG22  VAL  15          HG22      VAL  15   8.099  -8.456  -2.547
  129   HG23  VAL  15          HG23      VAL  15   7.143  -7.030  -2.131
  130    H    GLU  16           HN       GLU  16   5.688  -6.023  -5.908
  131    HA   GLU  16           HA       GLU  16   6.924  -6.020  -8.415
  132    HB2  GLU  16           HB2      GLU  16   3.992  -5.458  -7.867
  133    HB3  GLU  16           HB1      GLU  16   4.691  -5.900  -9.412
  134    HG2  GLU  16           HG2      GLU  16   5.503  -8.018  -8.308
  135    HG3  GLU  16           HG1      GLU  16   4.485  -7.576  -6.942
  136    H    SER  17           HN       SER  17   5.922  -3.316  -6.542
  137    HA   SER  17           HA       SER  17   5.959  -1.521  -8.837
  138    HB2  SER  17           HB2      SER  17   5.498  -0.900  -5.925
  139    HB3  SER  17           HB1      SER  17   5.178   0.163  -7.291
  140    HG   SER  17           HG       SER  17   3.852  -2.151  -6.469
  141    H    ALA  18           HN       ALA  18   8.223  -2.809  -6.685
  142    HA   ALA  18           HA       ALA  18   9.809  -0.422  -6.361
  143    HB1  ALA  18           HB1      ALA  18  11.436  -1.910  -5.282
  144    HB2  ALA  18           HB2      ALA  18  10.481  -3.315  -5.752
  145    HB3  ALA  18           HB3      ALA  18   9.821  -2.125  -4.609
  146    H    GLY  19           HN       GLY  19  10.347  -3.562  -7.984
  147    HA2  GLY  19           HA2      GLY  19  10.920  -2.906 -10.451
  148    HA3  GLY  19           HA1      GLY  19  12.357  -2.287  -9.643
  149    H    GLU  20           HN       GLU  20  13.755  -3.741 -10.584
  150    HA   GLU  20           HA       GLU  20  13.265  -6.562  -9.899
  151    HB2  GLU  20           HB2      GLU  20  15.094  -5.475 -12.043
  152    HB3  GLU  20           HB1      GLU  20  14.688  -7.157 -11.772
  153    HG2  GLU  20           HG2      GLU  20  12.281  -6.536 -12.208
  154    HG3  GLU  20           HG1      GLU  20  12.880  -4.968 -12.727
  155    H    THR  21           HN       THR  21  14.647  -4.145  -8.563
  156    HA   THR  21           HA       THR  21  16.745  -5.722  -7.348
  157    HB   THR  21           HB       THR  21  17.270  -2.939  -8.491
  158    HG1  THR  21           HG1      THR  21  17.694  -5.516  -9.350
  159   HG21  THR  21          HG21      THR  21  18.472  -3.373  -6.356
  160   HG22  THR  21          HG22      THR  21  19.585  -3.310  -7.710
  161   HG23  THR  21          HG23      THR  21  19.123  -4.862  -7.032
  162    H    ASP  22           HN       ASP  22  15.260  -5.817  -5.674
  163    HA   ASP  22           HA       ASP  22  13.994  -3.721  -4.376
  164    HB2  ASP  22           HB2      ASP  22  15.027  -6.269  -3.085
  165    HB3  ASP  22           HB1      ASP  22  13.708  -5.269  -2.521
  166    H    GLY  23           HN       GLY  23  14.561  -2.399  -2.679
  167    HA2  GLY  23           HA2      GLY  23  17.472  -2.172  -2.213
  168    HA3  GLY  23           HA1      GLY  23  16.301  -0.885  -2.012
  169    H    THR  24           HN       THR  24  14.606  -3.075  -0.536
  170    HA   THR  24           HA       THR  24  16.078  -2.973   1.970
  171    HB   THR  24           HB       THR  24  13.793  -2.515   3.056
  172    HG1  THR  24           HG1      THR  24  12.798  -1.017   1.102
  173   HG21  THR  24          HG21      THR  24  15.100  -0.336   1.406
  174   HG22  THR  24          HG22      THR  24  15.613  -0.847   3.022
  175   HG23  THR  24          HG23      THR  24  14.047  -0.084   2.797
  176    H    ASP  25           HN       ASP  25  13.935  -4.168   3.536
  177    HA   ASP  25           HA       ASP  25  13.398  -6.692   2.198
  178    HB2  ASP  25           HB2      ASP  25  15.416  -7.152   3.529
  179    HB3  ASP  25           HB1      ASP  25  14.676  -6.450   4.958
  180    H    LEU  26           HN       LEU  26  11.504  -7.539   2.763
  181    HA   LEU  26           HA       LEU  26  10.039  -6.447   4.994
  182    HB2  LEU  26           HB2      LEU  26   7.965  -6.182   3.645
  183    HB3  LEU  26           HB1      LEU  26   9.209  -5.043   3.209
  184    HG   LEU  26           HG       LEU  26   8.692  -7.534   1.572
  185   HD11  LEU  26          HD11      LEU  26   6.615  -6.266   1.752
  186   HD12  LEU  26          HD12      LEU  26   7.295  -6.121   0.137
  187   HD13  LEU  26          HD13      LEU  26   7.458  -4.790   1.287
  188   HD21  LEU  26          HD21      LEU  26   9.711  -6.200  -0.216
  189   HD22  LEU  26          HD22      LEU  26  10.809  -6.323   1.172
  190   HD23  LEU  26          HD23      LEU  26   9.897  -4.844   0.900
  191    H    SER  27           HN       SER  27  11.392  -8.840   4.733
  192    HA   SER  27           HA       SER  27   9.527 -10.919   3.969
  193    HB2  SER  27           HB2      SER  27  12.280 -11.091   5.208
  194    HB3  SER  27           HB1      SER  27  11.386 -12.399   4.411
  195    HG   SER  27           HG       SER  27  12.883 -10.367   3.363
  196    H    GLY  28           HN       GLY  28   9.506  -8.981   6.452
  197    HA2  GLY  28           HA2      GLY  28   8.472 -11.019   8.250
  198    HA3  GLY  28           HA1      GLY  28   9.571  -9.801   8.880
  199    H    ASP  29           HN       ASP  29   8.689  -8.043   9.683
  200    HA   ASP  29           HA       ASP  29   5.927  -7.402   8.872
  201    HB2  ASP  29           HB2      ASP  29   6.222  -7.971  11.313
  202    HB3  ASP  29           HB1      ASP  29   7.325  -6.606  11.454
  203    H    PHE  30           HN       PHE  30   5.615  -5.476   7.948
  204    HA   PHE  30           HA       PHE  30   7.689  -3.452   8.142
  205    HB2  PHE  30           HB2      PHE  30   7.403  -2.918   5.777
  206    HB3  PHE  30           HB1      PHE  30   7.867  -4.599   5.960
  207    HD1  PHE  30           HD1      PHE  30   6.037  -6.388   5.729
  208    HD2  PHE  30           HD2      PHE  30   5.452  -2.311   4.639
  209    HE1  PHE  30           HE1      PHE  30   4.117  -7.023   4.349
  210    HE2  PHE  30           HE2      PHE  30   3.526  -2.948   3.278
  211    HZ   PHE  30           HZ       PHE  30   2.854  -5.285   3.116
  212    H    LEU  31           HN       LEU  31   4.916  -4.149   9.310
  213    HA   LEU  31           HA       LEU  31   3.250  -1.986   8.320
  214    HB2  LEU  31           HB2      LEU  31   2.853  -3.979  10.544
  215    HB3  LEU  31           HB1      LEU  31   1.641  -2.829   9.999
  216    HG   LEU  31           HG       LEU  31   2.782  -5.109   8.376
  217   HD11  LEU  31          HD11      LEU  31   0.084  -4.718   9.599
  218   HD12  LEU  31          HD12      LEU  31   1.322  -5.853  10.133
  219   HD13  LEU  31          HD13      LEU  31   0.564  -6.051   8.540
  220   HD21  LEU  31          HD21      LEU  31   0.602  -3.143   7.690
  221   HD22  LEU  31          HD22      LEU  31   1.084  -4.532   6.719
  222   HD23  LEU  31          HD23      LEU  31   2.208  -3.184   6.967
  223    H    ASP  32           HN       ASP  32   5.229  -2.950  10.995
  224    HA   ASP  32           HA       ASP  32   4.839  -0.495  12.535
  225    HB2  ASP  32           HB2      ASP  32   5.211  -2.659  13.689
  226    HB3  ASP  32           HB1      ASP  32   6.745  -2.840  12.875
  227    H    LEU  33           HN       LEU  33   6.404  -1.307   9.844
  228    HA   LEU  33           HA       LEU  33   8.795   0.262  10.249
  229    HB2  LEU  33           HB2      LEU  33   7.785  -1.467   8.043
  230    HB3  LEU  33           HB1      LEU  33   9.112  -0.433   7.661
  231    HG   LEU  33           HG       LEU  33   8.984  -2.750   9.583
  232   HD11  LEU  33          HD11      LEU  33   9.367  -3.307   7.252
  233   HD12  LEU  33          HD12      LEU  33  10.816  -3.617   8.207
  234   HD13  LEU  33          HD13      LEU  33  10.725  -2.189   7.174
  235   HD21  LEU  33          HD21      LEU  33  11.330  -2.321  10.126
  236   HD22  LEU  33          HD22      LEU  33  10.262  -1.045  10.709
  237   HD23  LEU  33          HD23      LEU  33  11.241  -0.780   9.271
  238    H    ARG  34           HN       ARG  34   9.367   1.923   8.552
  239    HA   ARG  34           HA       ARG  34   7.046   3.696   8.179
  240    HB2  ARG  34           HB2      ARG  34   9.986   4.245   8.578
  241    HB3  ARG  34           HB1      ARG  34   8.830   5.498   8.151
  242    HG2  ARG  34           HG2      ARG  34   7.674   5.222  10.224
  243    HG3  ARG  34           HG1      ARG  34   8.609   3.781  10.607
  244    HD2  ARG  34           HD2      ARG  34   9.423   5.737  11.851
  245    HD3  ARG  34           HD1      ARG  34  10.633   5.080  10.759
  246    HE   ARG  34           HE       ARG  34   9.357   7.099   9.354
  247   HH11  ARG  34          HH11      ARG  34  11.210   6.866  12.382
  248   HH12  ARG  34          HH12      ARG  34  11.921   8.394  12.224
  249   HH21  ARG  34          HH21      ARG  34  10.335   9.141   9.122
  250   HH22  ARG  34          HH22      ARG  34  11.434   9.756  10.296
  251    H    PHE  35           HN       PHE  35   7.049   5.046   6.240
  252    HA   PHE  35           HA       PHE  35   7.610   3.494   3.920
  253    HB2  PHE  35           HB2      PHE  35   6.681   6.349   4.196
  254    HB3  PHE  35           HB1      PHE  35   6.829   5.530   2.650
  255    HD1  PHE  35           HD2      PHE  35   5.564   3.191   2.556
  256    HD2  PHE  35           HD1      PHE  35   4.596   6.394   5.191
  257    HE1  PHE  35           HE2      PHE  35   3.276   2.320   2.776
  258    HE2  PHE  35           HE1      PHE  35   2.319   5.516   5.423
  259    HZ   PHE  35           HZ       PHE  35   1.652   3.481   4.210
  260    H    GLU  36           HN       GLU  36   9.172   6.293   5.374
  261    HA   GLU  36           HA       GLU  36  10.936   6.792   3.199
  262    HB2  GLU  36           HB2      GLU  36  11.772   7.468   5.992
  263    HB3  GLU  36           HB1      GLU  36  11.977   8.383   4.525
  264    HG2  GLU  36           HG2      GLU  36  10.450   9.672   5.591
  265    HG3  GLU  36           HG1      GLU  36   9.347   8.629   4.678
  266    H    ASP  37           HN       ASP  37  10.869   4.688   5.867
  267    HA   ASP  37           HA       ASP  37  13.650   4.019   5.999
  268    HB2  ASP  37           HB2      ASP  37  11.959   3.741   7.870
  269    HB3  ASP  37           HB1      ASP  37  11.292   2.369   7.006
  270    H    ILE  38           HN       ILE  38  10.755   2.463   4.598
  271    HA   ILE  38           HA       ILE  38  12.278   0.353   3.447
  272    HB   ILE  38           HB       ILE  38  10.228  -0.304   2.181
  273   HG12  ILE  38          HG12      ILE  38   8.969   2.065   3.615
  274   HG13  ILE  38          HG11      ILE  38   9.230   1.900   1.890
  275   HG21  ILE  38          HG21      ILE  38   8.952  -0.987   4.145
  276   HG22  ILE  38          HG22      ILE  38   9.904   0.132   5.145
  277   HG23  ILE  38          HG23      ILE  38  10.690  -1.237   4.351
  278   HD11  ILE  38          HD11      ILE  38   6.899   1.492   2.472
  279   HD12  ILE  38          HD12      ILE  38   7.395   0.161   3.532
  280   HD13  ILE  38          HD13      ILE  38   7.630   0.029   1.806
  281    H    GLY  39           HN       GLY  39  12.070   3.475   2.455
  282    HA2  GLY  39           HA2      GLY  39  13.335   4.293   0.622
  283    HA3  GLY  39           HA1      GLY  39  13.221   2.703  -0.111
  284    H    TYR  40           HN       TYR  40  10.331   4.227   1.080
  285    HA   TYR  40           HA       TYR  40   9.622   4.781  -1.680
  286    HB2  TYR  40           HB2      TYR  40   7.948   3.613   0.523
  287    HB3  TYR  40           HB1      TYR  40   7.194   4.513  -0.794
  288    HD1  TYR  40           HD1      TYR  40   7.202   3.698  -3.031
  289    HD2  TYR  40           HD2      TYR  40   9.041   1.422   0.059
  290    HE1  TYR  40           HE1      TYR  40   7.314   1.782  -4.523
  291    HE2  TYR  40           HE2      TYR  40   9.143  -0.513  -1.433
  292    HH   TYR  40           HH       TYR  40   7.939  -1.342  -3.561
  293    H    ASP  41           HN       ASP  41   9.572   6.735  -2.172
  294    HA   ASP  41           HA       ASP  41   9.444   8.815  -0.146
  295    HB2  ASP  41           HB2      ASP  41   9.604   9.036  -3.166
  296    HB3  ASP  41           HB1      ASP  41   9.619  10.405  -2.075
  297    H    SER  42           HN       SER  42   7.801   8.448  -3.195
  298    HA   SER  42           HA       SER  42   5.159   8.774  -2.189
  299    HB2  SER  42           HB2      SER  42   5.924  11.014  -1.735
  300    HB3  SER  42           HB1      SER  42   6.538  11.168  -3.374
  301    H    LEU  43           HN       LEU  43   7.203   9.723  -4.977
  302    HA   LEU  43           HA       LEU  43   5.507   9.222  -7.068
  303    HB2  LEU  43           HB2      LEU  43   7.750  10.330  -7.205
  304    HB3  LEU  43           HB1      LEU  43   8.498   8.765  -7.010
  305    HG   LEU  43           HG       LEU  43   8.555   9.738  -9.333
  306   HD11  LEU  43          HD11      LEU  43   8.970   7.397  -9.018
  307   HD12  LEU  43          HD12      LEU  43   8.057   7.661 -10.514
  308   HD13  LEU  43          HD13      LEU  43   7.241   7.050  -9.077
  309   HD21  LEU  43          HD21      LEU  43   5.606   9.097  -9.309
  310   HD22  LEU  43          HD22      LEU  43   6.548   9.571 -10.727
  311   HD23  LEU  43          HD23      LEU  43   6.332  10.706  -9.401
  312    H    ALA  44           HN       ALA  44   7.917   6.919  -5.774
  313    HA   ALA  44           HA       ALA  44   6.994   4.790  -7.341
  314    HB1  ALA  44           HB1      ALA  44   8.429   3.383  -5.968
  315    HB2  ALA  44           HB2      ALA  44   8.624   4.698  -4.808
  316    HB3  ALA  44           HB3      ALA  44   9.274   4.859  -6.442
  317    H    LEU  45           HN       LEU  45   5.925   6.107  -4.384
  318    HA   LEU  45           HA       LEU  45   4.718   3.730  -3.343
  319    HB2  LEU  45           HB2      LEU  45   5.670   5.621  -1.973
  320    HB3  LEU  45           HB1      LEU  45   4.307   6.588  -2.503
  321    HG   LEU  45           HG       LEU  45   3.850   4.050  -0.954
  322   HD11  LEU  45          HD11      LEU  45   3.805   5.434   1.074
  323   HD12  LEU  45          HD12      LEU  45   4.384   6.818   0.127
  324   HD13  LEU  45          HD13      LEU  45   5.402   5.393   0.335
  325   HD21  LEU  45          HD21      LEU  45   1.806   5.224  -0.287
  326   HD22  LEU  45          HD22      LEU  45   1.914   5.127  -2.042
  327   HD23  LEU  45          HD23      LEU  45   2.318   6.635  -1.216
  328    H    MET  46           HN       MET  46   3.471   6.666  -5.050
  329    HA   MET  46           HA       MET  46   0.817   5.789  -4.914
  330    HB2  MET  46           HB2      MET  46   2.127   7.542  -6.997
  331    HB3  MET  46           HB1      MET  46   0.401   7.250  -6.911
  332    HG2  MET  46           HG2      MET  46   0.438   8.175  -4.594
  333    HG3  MET  46           HG1      MET  46   2.118   8.621  -4.872
  334    HE1  MET  46           HE1      MET  46  -1.432  10.350  -7.283
  335    HE2  MET  46           HE2      MET  46  -1.631   9.190  -5.965
  336    HE3  MET  46           HE3      MET  46  -0.866   8.693  -7.465
  337    H    GLU  47           HN       GLU  47   3.372   5.003  -7.145
  338    HA   GLU  47           HA       GLU  47   1.873   3.525  -8.986
  339    HB2  GLU  47           HB2      GLU  47   4.734   3.579  -8.206
  340    HB3  GLU  47           HB1      GLU  47   4.191   2.209  -9.165
  341    HG2  GLU  47           HG2      GLU  47   3.698   5.057  -9.941
  342    HG3  GLU  47           HG1      GLU  47   5.104   4.117 -10.473
  343    H    THR  48           HN       THR  48   3.047   2.675  -5.839
  344    HA   THR  48           HA       THR  48   2.551  -0.121  -5.994
  345    HB   THR  48           HB       THR  48   2.555   1.675  -3.551
  346    HG1  THR  48           HG1      THR  48   4.509   1.375  -5.247
  347   HG21  THR  48          HG21      THR  48   3.303  -0.356  -2.373
  348   HG22  THR  48          HG22      THR  48   3.200  -1.264  -3.884
  349   HG23  THR  48          HG23      THR  48   1.742  -0.611  -3.153
  350    H    ALA  49           HN       ALA  49   0.765   2.572  -4.511
  351    HA   ALA  49           HA       ALA  49  -1.474   1.181  -3.590
  352    HB1  ALA  49           HB1      ALA  49  -2.574   3.356  -3.433
  353    HB2  ALA  49           HB2      ALA  49  -1.365   4.065  -4.487
  354    HB3  ALA  49           HB3      ALA  49  -0.901   3.468  -2.889
  355    H    ALA  50           HN       ALA  50  -0.917   2.777  -6.695
  356    HA   ALA  50           HA       ALA  50  -3.449   2.518  -7.806
  357    HB1  ALA  50           HB1      ALA  50  -0.815   2.402  -9.258
  358    HB2  ALA  50           HB2      ALA  50  -1.659   3.886  -8.779
  359    HB3  ALA  50           HB3      ALA  50  -2.384   2.796  -9.967
  360    H    ARG  51           HN       ARG  51  -0.978   0.116  -7.438
  361    HA   ARG  51           HA       ARG  51  -1.984  -1.742  -9.356
  362    HB2  ARG  51           HB2      ARG  51  -0.334  -2.420  -6.889
  363    HB3  ARG  51           HB1      ARG  51  -0.513  -3.383  -8.347
  364    HG2  ARG  51           HG2      ARG  51   0.832  -0.699  -8.160
  365    HG3  ARG  51           HG1      ARG  51   1.641  -2.269  -8.259
  366    HD2  ARG  51           HD2      ARG  51   1.012  -2.582 -10.461
  367    HD3  ARG  51           HD1      ARG  51  -0.306  -1.424 -10.370
  368    HE   ARG  51           HE       ARG  51   1.626   0.241 -10.056
  369   HH11  ARG  51          HH11      ARG  51   1.942  -2.636 -12.087
  370   HH12  ARG  51          HH12      ARG  51   2.829  -1.921 -13.321
  371   HH21  ARG  51          HH21      ARG  51   2.848   1.362 -11.855
  372   HH22  ARG  51          HH22      ARG  51   3.363   0.454 -13.132
  373    H    LEU  52           HN       LEU  52  -2.516  -1.200  -5.944
  374    HA   LEU  52           HA       LEU  52  -4.153  -3.494  -5.538
  375    HB2  LEU  52           HB2      LEU  52  -3.875  -0.972  -3.907
  376    HB3  LEU  52           HB1      LEU  52  -4.691  -2.428  -3.380
  377    HG   LEU  52           HG       LEU  52  -1.752  -2.235  -4.020
  378   HD11  LEU  52          HD11      LEU  52  -2.361  -1.027  -1.970
  379   HD12  LEU  52          HD12      LEU  52  -1.423  -2.473  -1.614
  380   HD13  LEU  52          HD13      LEU  52  -3.168  -2.469  -1.367
  381   HD21  LEU  52          HD21      LEU  52  -2.678  -4.434  -4.483
  382   HD22  LEU  52          HD22      LEU  52  -3.393  -4.483  -2.868
  383   HD23  LEU  52          HD23      LEU  52  -1.636  -4.489  -3.052
  384    H    GLU  53           HN       GLU  53  -4.758  -0.038  -6.077
  385    HA   GLU  53           HA       GLU  53  -7.562  -0.048  -5.929
  386    HB2  GLU  53           HB2      GLU  53  -5.813   1.611  -7.773
  387    HB3  GLU  53           HB1      GLU  53  -7.491   1.942  -7.360
  388    HG2  GLU  53           HG2      GLU  53  -6.837   2.338  -5.067
  389    HG3  GLU  53           HG1      GLU  53  -5.146   2.006  -5.493
  390    H    SER  54           HN       SER  54  -5.416  -0.690  -8.687
  391    HA   SER  54           HA       SER  54  -7.501  -0.997 -10.575
  392    HB2  SER  54           HB2      SER  54  -4.675  -2.113 -10.708
  393    HB3  SER  54           HB1      SER  54  -5.793  -1.931 -12.055
  394    HG   SER  54           HG       SER  54  -4.634   0.140 -10.476
  395    H    ARG  55           HN       ARG  55  -5.984  -3.250  -8.353
  396    HA   ARG  55           HA       ARG  55  -7.075  -5.543  -9.705
  397    HB2  ARG  55           HB2      ARG  55  -4.931  -5.737  -8.490
  398    HB3  ARG  55           HB1      ARG  55  -5.750  -5.373  -6.978
  399    HG2  ARG  55           HG2      ARG  55  -7.090  -7.426  -7.244
  400    HG3  ARG  55           HG1      ARG  55  -6.200  -7.797  -8.718
  401    HD2  ARG  55           HD2      ARG  55  -5.016  -7.536  -5.946
  402    HD3  ARG  55           HD1      ARG  55  -5.337  -9.055  -6.772
  403    HE   ARG  55           HE       ARG  55  -3.684  -7.612  -8.442
  404   HH11  ARG  55          HH11      ARG  55  -3.502  -8.978  -5.176
  405   HH12  ARG  55          HH12      ARG  55  -1.849  -9.307  -5.221
  406   HH21  ARG  55          HH21      ARG  55  -1.429  -7.987  -8.538
  407   HH22  ARG  55          HH22      ARG  55  -0.545  -8.639  -7.230
  408    H    TYR  56           HN       TYR  56  -7.899  -3.669  -6.830
  409    HA   TYR  56           HA       TYR  56 -10.183  -5.444  -6.475
  410    HB2  TYR  56           HB2      TYR  56  -8.894  -3.571  -4.465
  411    HB3  TYR  56           HB1      TYR  56 -10.372  -4.494  -4.174
  412    HD1  TYR  56           HD1      TYR  56 -10.345  -6.928  -4.170
  413    HD2  TYR  56           HD2      TYR  56  -6.725  -4.708  -4.409
  414    HE1  TYR  56           HE1      TYR  56  -9.082  -8.950  -3.615
  415    HE2  TYR  56           HE2      TYR  56  -5.444  -6.734  -3.842
  416    HH   TYR  56           HH       TYR  56  -5.744  -9.029  -2.809
  417    H    GLY  57           HN       GLY  57  -9.607  -2.601  -7.941
  418    HA2  GLY  57           HA2      GLY  57 -11.045  -1.168  -8.968
  419    HA3  GLY  57           HA1      GLY  57 -12.374  -2.153  -8.407
  420    H    VAL  58           HN       VAL  58  -9.921  -0.181  -6.728
  421    HA   VAL  58           HA       VAL  58 -12.173   1.213  -5.425
  422    HB   VAL  58           HB       VAL  58 -11.190   1.251  -3.303
  423   HG11  VAL  58          HG11      VAL  58 -10.643  -1.025  -2.696
  424   HG12  VAL  58          HG12      VAL  58 -10.278  -1.348  -4.379
  425   HG13  VAL  58          HG13      VAL  58 -11.970  -1.001  -3.890
  426   HG21  VAL  58          HG21      VAL  58  -8.926   1.954  -3.859
  427   HG22  VAL  58          HG22      VAL  58  -8.524   0.329  -4.416
  428   HG23  VAL  58          HG23      VAL  58  -8.948   0.623  -2.709
  429    H    SER  59           HN       SER  59 -11.067   3.340  -4.199
  430    HA   SER  59           HA       SER  59  -9.133   4.538  -5.970
  431    HB2  SER  59           HB2      SER  59 -11.397   5.059  -6.963
  432    HB3  SER  59           HB1      SER  59 -11.843   5.843  -5.449
  433    HG   SER  59           HG       SER  59  -9.542   6.638  -6.922
  434    H    ILE  60           HN       ILE  60  -7.702   5.495  -4.683
  435    HA   ILE  60           HA       ILE  60  -8.377   6.021  -1.890
  436    HB   ILE  60           HB       ILE  60  -5.711   6.247  -3.334
  437   HG12  ILE  60          HG12      ILE  60  -6.540   3.948  -3.348
  438   HG13  ILE  60          HG11      ILE  60  -5.120   4.105  -2.322
  439   HG21  ILE  60          HG21      ILE  60  -6.302   6.223  -0.381
  440   HG22  ILE  60          HG22      ILE  60  -5.757   7.614  -1.317
  441   HG23  ILE  60          HG23      ILE  60  -4.694   6.222  -1.101
  442   HD11  ILE  60          HD11      ILE  60  -7.981   3.925  -1.390
  443   HD12  ILE  60          HD12      ILE  60  -6.562   4.127  -0.352
  444   HD13  ILE  60          HD13      ILE  60  -6.757   2.654  -1.293
  445    HA   PRO  61           HA       PRO  61  -8.921  10.370  -3.005
  446    HB2  PRO  61           HB2      PRO  61  -9.563  10.824  -0.205
  447    HB3  PRO  61           HB1      PRO  61 -10.650  10.873  -1.594
  448    HG2  PRO  61           HG2      PRO  61 -10.775   8.953   0.333
  449    HG3  PRO  61           HG1      PRO  61 -11.277   8.686  -1.340
  450    HD2  PRO  61           HD2      PRO  61  -8.729   7.919   0.028
  451    HD3  PRO  61           HD1      PRO  61  -9.707   6.981  -1.117
  452    H    ASP  62           HN       ASP  62  -7.438  11.972  -3.031
  453    HA   ASP  62           HA       ASP  62  -4.851  11.908  -2.149
  454    HB2  ASP  62           HB2      ASP  62  -6.441  14.466  -2.357
  455    HB3  ASP  62           HB1      ASP  62  -4.720  14.254  -2.619
  456    H    ASP  63           HN       ASP  63  -7.517  13.602  -0.650
  457    HA   ASP  63           HA       ASP  63  -6.231  14.961   1.430
  458    HB2  ASP  63           HB2      ASP  63  -8.706  15.021   0.478
  459    HB3  ASP  63           HB1      ASP  63  -9.000  13.874   1.770
  460    H    VAL  64           HN       VAL  64  -7.745  11.797   1.367
  461    HA   VAL  64           HA       VAL  64  -7.308  11.249   4.178
  462    HB   VAL  64           HB       VAL  64  -8.229   9.358   1.986
  463   HG11  VAL  64          HG11      VAL  64  -8.545   9.187   4.975
  464   HG12  VAL  64          HG12      VAL  64  -7.477   8.188   3.972
  465   HG13  VAL  64          HG13      VAL  64  -9.223   8.066   3.795
  466   HG21  VAL  64          HG21      VAL  64 -10.513   9.816   2.756
  467   HG22  VAL  64          HG22      VAL  64  -9.732  11.259   2.098
  468   HG23  VAL  64          HG23      VAL  64  -9.887  11.056   3.845
  469    H    ALA  65           HN       ALA  65  -5.771  10.504   1.139
  470    HA   ALA  65           HA       ALA  65  -4.087   8.421   1.991
  471    HB1  ALA  65           HB1      ALA  65  -4.586   8.895  -0.345
  472    HB2  ALA  65           HB2      ALA  65  -2.842   8.859  -0.043
  473    HB3  ALA  65           HB3      ALA  65  -3.671  10.403  -0.239
  474    H    GLY  66           HN       GLY  66  -3.939  11.823   2.409
  475    HA2  GLY  66           HA2      GLY  66  -1.120  11.901   2.987
  476    HA3  GLY  66           HA1      GLY  66  -2.282  13.194   3.245
  477    H    ARG  67           HN       ARG  67  -3.428  10.366   4.645
  478    HA   ARG  67           HA       ARG  67  -2.334  11.210   7.227
  479    HB2  ARG  67           HB2      ARG  67  -5.043  10.003   6.642
  480    HB3  ARG  67           HB1      ARG  67  -4.404  10.271   8.258
  481    HG2  ARG  67           HG2      ARG  67  -4.190  12.701   7.631
  482    HG3  ARG  67           HG1      ARG  67  -5.109  12.321   6.169
  483    HD2  ARG  67           HD2      ARG  67  -6.047  11.843   8.991
  484    HD3  ARG  67           HD1      ARG  67  -6.518  13.232   8.023
  485    HE   ARG  67           HE       ARG  67  -7.447  11.468   6.465
  486   HH11  ARG  67          HH11      ARG  67  -7.357  11.117  10.024
  487   HH12  ARG  67          HH12      ARG  67  -8.722  10.094  10.083
  488   HH21  ARG  67          HH21      ARG  67  -9.392  10.149   6.619
  489   HH22  ARG  67          HH22      ARG  67  -9.887   9.516   8.115
  490    H    VAL  68           HN       VAL  68  -1.504   9.020   5.158
  491    HA   VAL  68           HA       VAL  68  -1.586   6.771   7.021
  492    HB   VAL  68           HB       VAL  68  -0.624   5.380   5.178
  493   HG11  VAL  68          HG11      VAL  68  -3.127   6.875   4.504
  494   HG12  VAL  68          HG12      VAL  68  -2.992   5.426   5.503
  495   HG13  VAL  68          HG13      VAL  68  -2.629   5.348   3.774
  496   HG21  VAL  68          HG21      VAL  68  -0.986   7.856   3.478
  497   HG22  VAL  68          HG22      VAL  68  -0.588   6.243   2.876
  498   HG23  VAL  68          HG23      VAL  68   0.556   7.114   3.906
  499    H    ASP  69           HN       ASP  69  -0.140   6.879   8.517
  500    HA   ASP  69           HA       ASP  69   2.539   7.906   8.019
  501    HB2  ASP  69           HB2      ASP  69   1.385   8.542  10.094
  502    HB3  ASP  69           HB1      ASP  69   1.190   6.858  10.521
  503    H    THR  70           HN       THR  70   1.064   4.856   9.083
  504    HA   THR  70           HA       THR  70   3.533   3.510   8.228
  505    HB   THR  70           HB       THR  70   2.754   1.602   9.709
  506    HG1  THR  70           HG1      THR  70   0.865   3.569  10.517
  507   HG21  THR  70          HG21      THR  70   3.496   2.666  11.819
  508   HG22  THR  70          HG22      THR  70   3.325   4.251  11.062
  509   HG23  THR  70          HG23      THR  70   4.523   3.109  10.450
  510    HA   PRO  71           HA       PRO  71   1.588   1.238   4.877
  511    HB2  PRO  71           HB2      PRO  71   2.760  -1.151   6.299
  512    HB3  PRO  71           HB1      PRO  71   2.802  -0.741   4.576
  513    HG2  PRO  71           HG2      PRO  71   4.922  -0.298   6.034
  514    HG3  PRO  71           HG1      PRO  71   4.380   0.949   4.907
  515    HD2  PRO  71           HD2      PRO  71   4.052   0.812   7.886
  516    HD3  PRO  71           HD1      PRO  71   4.443   2.221   6.879
  517    H    ARG  72           HN       ARG  72   1.267   0.077   8.129
  518    HA   ARG  72           HA       ARG  72  -0.864  -1.719   7.975
  519    HB2  ARG  72           HB2      ARG  72   0.301  -1.508  10.008
  520    HB3  ARG  72           HB1      ARG  72   0.059   0.231  10.072
  521    HG2  ARG  72           HG2      ARG  72  -2.334  -0.158  10.492
  522    HG3  ARG  72           HG1      ARG  72  -2.059  -1.894  10.496
  523    HD2  ARG  72           HD2      ARG  72  -2.123  -0.822  12.767
  524    HD3  ARG  72           HD1      ARG  72  -0.695  -1.794  12.447
  525    HE   ARG  72           HE       ARG  72  -0.425   1.018  11.818
  526   HH11  ARG  72          HH11      ARG  72  -0.161  -1.292  14.511
  527   HH12  ARG  72          HH12      ARG  72   1.183  -0.515  15.209
  528   HH21  ARG  72          HH21      ARG  72   1.450   2.068  12.803
  529   HH22  ARG  72          HH22      ARG  72   2.135   1.409  14.225
  530    H    GLU  73           HN       GLU  73  -0.921   1.812   8.397
  531    HA   GLU  73           HA       GLU  73  -3.726   2.015   8.623
  532    HB2  GLU  73           HB2      GLU  73  -1.620   4.089   7.988
  533    HB3  GLU  73           HB1      GLU  73  -3.276   4.435   8.459
  534    HG2  GLU  73           HG2      GLU  73  -2.978   3.524  10.613
  535    HG3  GLU  73           HG1      GLU  73  -1.421   2.818  10.187
  536    H    LEU  74           HN       LEU  74  -1.562   1.952   5.976
  537    HA   LEU  74           HA       LEU  74  -3.339   3.049   3.971
  538    HB2  LEU  74           HB2      LEU  74  -0.730   2.803   3.965
  539    HB3  LEU  74           HB1      LEU  74  -1.020   1.166   3.431
  540    HG   LEU  74           HG       LEU  74  -1.814   3.671   1.924
  541   HD11  LEU  74          HD11      LEU  74  -0.056   3.037   0.367
  542   HD12  LEU  74          HD12      LEU  74   0.398   1.685   1.431
  543   HD13  LEU  74          HD13      LEU  74   0.575   3.341   1.990
  544   HD21  LEU  74          HD21      LEU  74  -2.307   2.164   0.056
  545   HD22  LEU  74          HD22      LEU  74  -3.318   1.818   1.471
  546   HD23  LEU  74          HD23      LEU  74  -1.966   0.770   1.082
  547    H    LEU  75           HN       LEU  75  -2.452  -0.186   5.144
  548    HA   LEU  75           HA       LEU  75  -4.073  -1.658   3.349
  549    HB2  LEU  75           HB2      LEU  75  -2.213  -2.594   4.729
  550    HB3  LEU  75           HB1      LEU  75  -3.193  -2.393   6.153
  551    HG   LEU  75           HG       LEU  75  -4.870  -3.988   5.111
  552   HD11  LEU  75          HD11      LEU  75  -4.065  -5.436   3.329
  553   HD12  LEU  75          HD12      LEU  75  -2.596  -4.460   3.205
  554   HD13  LEU  75          HD13      LEU  75  -4.164  -3.747   2.822
  555   HD21  LEU  75          HD21      LEU  75  -3.575  -5.977   5.697
  556   HD22  LEU  75          HD22      LEU  75  -3.298  -4.681   6.867
  557   HD23  LEU  75          HD23      LEU  75  -2.084  -5.037   5.645
  558    H    ASP  76           HN       ASP  76  -4.603  -0.562   6.705
  559    HA   ASP  76           HA       ASP  76  -7.173  -1.489   7.186
  560    HB2  ASP  76           HB2      ASP  76  -6.050   1.197   8.014
  561    HB3  ASP  76           HB1      ASP  76  -7.524   0.504   8.655
  562    H    LEU  77           HN       LEU  77  -6.139   1.466   5.649
  563    HA   LEU  77           HA       LEU  77  -8.528   2.808   5.259
  564    HB2  LEU  77           HB2      LEU  77  -5.907   3.245   4.667
  565    HB3  LEU  77           HB1      LEU  77  -6.545   2.970   3.072
  566    HG   LEU  77           HG       LEU  77  -6.455   5.336   3.524
  567   HD11  LEU  77          HD11      LEU  77  -8.770   5.995   3.110
  568   HD12  LEU  77          HD12      LEU  77  -9.315   4.384   3.536
  569   HD13  LEU  77          HD13      LEU  77  -8.326   4.622   2.103
  570   HD21  LEU  77          HD21      LEU  77  -6.571   5.273   5.954
  571   HD22  LEU  77          HD22      LEU  77  -8.247   4.765   5.877
  572   HD23  LEU  77          HD23      LEU  77  -7.789   6.369   5.300
  573    H    ILE  78           HN       ILE  78  -6.984   0.384   3.173
  574    HA   ILE  78           HA       ILE  78  -8.975   0.710   1.121
  575    HB   ILE  78           HB       ILE  78  -6.865  -1.463   1.407
  576   HG12  ILE  78          HG12      ILE  78  -6.857   1.127  -0.183
  577   HG13  ILE  78          HG11      ILE  78  -5.869   0.776   1.223
  578   HG21  ILE  78          HG21      ILE  78  -7.271  -1.857  -0.988
  579   HG22  ILE  78          HG22      ILE  78  -8.562  -0.656  -0.953
  580   HG23  ILE  78          HG23      ILE  78  -8.708  -2.146  -0.012
  581   HD11  ILE  78          HD11      ILE  78  -4.706  -0.991  -0.041
  582   HD12  ILE  78          HD12      ILE  78  -4.576   0.586  -0.804
  583   HD13  ILE  78          HD13      ILE  78  -5.714  -0.601  -1.445
  584    H    ASN  79           HN       ASN  79  -8.213  -1.695   3.613
  585    HA   ASN  79           HA       ASN  79 -10.224  -3.517   2.895
  586    HB2  ASN  79           HB2      ASN  79  -9.062  -3.064   5.663
  587    HB3  ASN  79           HB1      ASN  79 -10.077  -4.390   5.188
  588   HD21  ASN  79          HD21      ASN  79  -8.655  -4.652   2.546
  589   HD22  ASN  79          HD22      ASN  79  -7.166  -5.427   2.966
  590    H    GLY  80           HN       GLY  80 -10.244  -0.744   5.069
  591    HA2  GLY  80           HA2      GLY  80 -12.849  -1.118   6.079
  592    HA3  GLY  80           HA1      GLY  80 -11.940   0.388   6.081
  593    H    ALA  81           HN       ALA  81 -11.639   0.687   3.251
  594    HA   ALA  81           HA       ALA  81 -14.076   1.953   2.657
  595    HB1  ALA  81           HB1      ALA  81 -13.054   2.453   0.504
  596    HB2  ALA  81           HB2      ALA  81 -11.783   1.262   0.845
  597    HB3  ALA  81           HB3      ALA  81 -11.914   2.711   1.824
  598    H    LEU  82           HN       LEU  82 -12.693  -1.107   1.679
  599    HA   LEU  82           HA       LEU  82 -14.504  -2.004  -0.207
  600    HB2  LEU  82           HB2      LEU  82 -13.199  -3.582   2.011
  601    HB3  LEU  82           HB1      LEU  82 -14.040  -4.328   0.682
  602    HG   LEU  82           HG       LEU  82 -11.551  -2.619   0.416
  603   HD11  LEU  82          HD11      LEU  82 -10.425  -4.744  -0.052
  604   HD12  LEU  82          HD12      LEU  82 -11.922  -5.612   0.286
  605   HD13  LEU  82          HD13      LEU  82 -11.113  -4.726   1.573
  606   HD21  LEU  82          HD21      LEU  82 -12.969  -2.553  -1.576
  607   HD22  LEU  82          HD22      LEU  82 -13.046  -4.314  -1.589
  608   HD23  LEU  82          HD23      LEU  82 -11.506  -3.502  -1.868
  609    H    ALA  83           HN       ALA  83 -14.999  -1.672   3.261
  610    HA   ALA  83           HA       ALA  83 -17.434  -3.245   3.230
  611    HB1  ALA  83           HB1      ALA  83 -17.579  -2.760   5.595
  612    HB2  ALA  83           HB2      ALA  83 -16.244  -1.601   5.448
  613    HB3  ALA  83           HB3      ALA  83 -15.954  -3.315   5.182
  614    H    GLU  84           HN       GLU  84 -16.543  -0.017   2.727
  615    HA   GLU  84           HA       GLU  84 -19.043   1.194   3.505
  616    HB2  GLU  84           HB2      GLU  84 -16.871   2.287   1.691
  617    HB3  GLU  84           HB1      GLU  84 -18.164   3.220   2.438
  618    HG2  GLU  84           HG2      GLU  84 -15.988   1.775   3.949
  619    HG3  GLU  84           HG1      GLU  84 -15.936   3.475   3.508
  620    H    ALA  85           HN       ALA  85 -17.603  -0.140   0.625
  621    HA   ALA  85           HA       ALA  85 -20.124   0.339  -0.788
  622    HB1  ALA  85           HB1      ALA  85 -17.376  -0.064  -2.011
  623    HB2  ALA  85           HB2      ALA  85 -18.225   1.470  -1.880
  624    HB3  ALA  85           HB3      ALA  85 -18.875   0.189  -2.897
  625    H    ALA  86           HN       ALA  86 -21.056  -1.430   0.097
  626    HA   ALA  86           HA       ALA  86 -19.915  -4.032   0.019
  627    HB1  ALA  86           HB1      ALA  86 -21.526  -3.399   1.764
  628    HB2  ALA  86           HB2      ALA  86 -22.055  -4.808   0.875
  629    HB3  ALA  86           HB3      ALA  86 -22.789  -3.229   0.545
  630   H28A  SXR 101          H28A      SXR  42   4.727  10.794  -6.834
  631   H28B  SXR 101          H28B      SXR  42   3.337  11.000  -5.803
  632   H30A  SXR 101          H30A      SXR  42   3.335  11.729  -9.397
  633   H30B  SXR 101          H30B      SXR  42   1.810  11.835  -8.509
  634   H30C  SXR 101          H30C      SXR  42   2.967  10.545  -8.144
  635   H31A  SXR 101          H31A      SXR  42   2.366  14.278  -7.395
  636   H31B  SXR 101          H31B      SXR  42   2.730  13.648  -5.789
  637   H31C  SXR 101          H31C      SXR  42   1.493  12.876  -6.779
  638   H32A  SXR 101          H32A      SXR  42   5.426  12.693  -8.486
  639   H33A  SXR 101          H33A      SXR  42   5.382  13.573  -6.323
  640   H36A  SXR 101          H36A      SXR  42   4.449  15.723  -7.916
  641   H37A  SXR 101          H37A      SXR  42   4.272  17.464  -9.593
  642   H37B  SXR 101          H37B      SXR  42   3.568  16.280 -10.697
  643   H38A  SXR 101          H38A      SXR  42   2.209  17.368  -8.200
  644   H38B  SXR 101          H38B      SXR  42   1.886  17.904  -9.835
  645   H41A  SXR 101          H41A      SXR  42   0.578  16.214  -7.531
  646   H42A  SXR 101          H42A      SXR  42  -0.941  14.410  -9.258
  647   H42B  SXR 101          H42B      SXR  42  -0.099  13.772  -7.857
  648   H43A  SXR 101          H43A      SXR  42  -2.374  14.199  -7.162
  649   H43B  SXR 101          H43B      SXR  42  -2.264  15.849  -7.792
  650   H11A  SXR 101          H11A      SXR  42   0.305   8.361  -0.982
  651   H10A  SXR 101          H10A      SXR  42  -0.504   6.092  -1.562
  652    H9A  SXR 101           H9A      SXR  42  -2.355   5.799  -3.167
  653    H8A  SXR 101           H8A      SXR  42  -3.424   7.781  -4.210
  654    H7A  SXR 101           H7A      SXR  42  -2.613  10.057  -3.635
  655    H5A  SXR 101           H5A      SXR  42  -0.485  11.150  -0.917
  656    H5B  SXR 101           H5B      SXR  42   0.412  10.327  -1.840
  657    H4A  SXR 101           H4A      SXR  42  -0.338  11.655  -4.027
  658    H4B  SXR 101           H4B      SXR  42  -1.625  11.281  -3.379
  659    H2A  SXR 101           H2A      SXR  42  -0.385  15.338  -3.230
  660    H2B  SXR 101           H2B      SXR  42   0.351  14.093  -3.580
  661    H1A  SXR 101           H1A      SXR  42  -1.858  13.386  -5.277
  662    H1B  SXR 101           H1B      SXR  42  -2.367  14.436  -4.286
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1 -17.087  -8.829  -2.369
    2    H2   MET   1           HT2      MET   1 -16.680  -7.443  -3.207
    3    H3   MET   1           HT3      MET   1 -18.227  -8.068  -3.380
    4    HA   MET   1           HA       MET   1 -18.288  -6.168  -1.942
    5    HB2  MET   1           HB2      MET   1 -19.748  -8.041  -1.285
    6    HB3  MET   1           HB1      MET   1 -18.441  -8.744  -0.346
    7    HG2  MET   1           HG2      MET   1 -18.475  -6.827   1.156
    8    HG3  MET   1           HG1      MET   1 -19.778  -6.103   0.211
    9    HE1  MET   1           HE1      MET   1 -21.509  -8.709  -0.519
   10    HE2  MET   1           HE2      MET   1 -22.219  -7.183   0.004
   11    HE3  MET   1           HE3      MET   1 -22.689  -8.686   0.791
   12    H    ALA   2           HN       ALA   2 -16.401  -8.655  -0.200
   13    HA   ALA   2           HA       ALA   2 -14.527  -6.570   0.562
   14    HB1  ALA   2           HB1      ALA   2 -15.790  -8.557   2.451
   15    HB2  ALA   2           HB2      ALA   2 -16.127  -6.829   2.401
   16    HB3  ALA   2           HB3      ALA   2 -14.520  -7.398   2.859
   17    H    THR   3           HN       THR   3 -12.657  -7.194  -0.107
   18    HA   THR   3           HA       THR   3 -11.768  -9.915   0.346
   19    HB   THR   3           HB       THR   3 -11.282  -8.319  -2.217
   20    HG1  THR   3           HG1      THR   3 -12.800 -10.647  -1.650
   21   HG21  THR   3          HG21      THR   3 -10.440 -11.141  -1.457
   22   HG22  THR   3          HG22      THR   3  -9.362  -9.752  -1.598
   23   HG23  THR   3          HG23      THR   3 -10.174 -10.384  -3.029
   24    H    LEU   4           HN       LEU   4 -10.832  -9.047   2.147
   25    HA   LEU   4           HA       LEU   4  -9.225  -6.675   2.035
   26    HB2  LEU   4           HB2      LEU   4  -9.851  -8.620   4.244
   27    HB3  LEU   4           HB1      LEU   4  -8.649  -7.364   4.438
   28    HG   LEU   4           HG       LEU   4 -10.423  -5.659   4.051
   29   HD11  LEU   4          HD11      LEU   4 -12.761  -6.270   4.219
   30   HD12  LEU   4          HD12      LEU   4 -12.327  -7.985   4.182
   31   HD13  LEU   4          HD13      LEU   4 -12.013  -6.963   2.777
   32   HD21  LEU   4          HD21      LEU   4 -11.485  -5.913   6.244
   33   HD22  LEU   4          HD22      LEU   4  -9.754  -6.243   6.293
   34   HD23  LEU   4          HD23      LEU   4 -10.909  -7.578   6.323
   35    H    LEU   5           HN       LEU   5  -7.533  -6.944   0.805
   36    HA   LEU   5           HA       LEU   5  -5.824  -9.139   0.755
   37    HB2  LEU   5           HB2      LEU   5  -4.147  -7.774  -0.280
   38    HB3  LEU   5           HB1      LEU   5  -5.698  -7.328  -0.941
   39    HG   LEU   5           HG       LEU   5  -4.304  -5.695   1.192
   40   HD11  LEU   5          HD11      LEU   5  -3.570  -4.237  -0.647
   41   HD12  LEU   5          HD12      LEU   5  -4.128  -5.452  -1.801
   42   HD13  LEU   5          HD13      LEU   5  -2.813  -5.821  -0.691
   43   HD21  LEU   5          HD21      LEU   5  -6.646  -5.118   0.975
   44   HD22  LEU   5          HD22      LEU   5  -6.499  -5.070  -0.787
   45   HD23  LEU   5          HD23      LEU   5  -5.682  -3.865   0.197
   46    H    THR   6           HN       THR   6  -4.283  -9.830   2.002
   47    HA   THR   6           HA       THR   6  -3.861  -8.472   4.496
   48    HB   THR   6           HB       THR   6  -2.526 -10.540   5.045
   49    HG1  THR   6           HG1      THR   6  -2.240 -12.029   3.580
   50   HG21  THR   6          HG21      THR   6  -4.514 -11.989   5.265
   51   HG22  THR   6          HG22      THR   6  -5.384 -10.957   4.126
   52   HG23  THR   6          HG23      THR   6  -4.888 -10.320   5.691
   53    H    THR   7           HN       THR   7  -1.246  -9.068   5.173
   54    HA   THR   7           HA       THR   7   0.102  -7.038   3.787
   55    HB   THR   7           HB       THR   7   1.396  -9.062   5.594
   56    HG1  THR   7           HG1      THR   7   0.481  -8.112   7.297
   57   HG21  THR   7          HG21      THR   7   1.655  -6.096   5.179
   58   HG22  THR   7          HG22      THR   7   2.777  -7.315   4.582
   59   HG23  THR   7          HG23      THR   7   2.617  -7.034   6.321
   60    H    ASP   8           HN       ASP   8  -0.131 -10.450   3.567
   61    HA   ASP   8           HA       ASP   8   2.217 -11.215   2.235
   62    HB2  ASP   8           HB2      ASP   8  -0.529 -12.375   1.707
   63    HB3  ASP   8           HB1      ASP   8   1.022 -13.177   1.500
   64    H    ASP   9           HN       ASP   9  -0.818  -9.939   1.083
   65    HA   ASP   9           HA       ASP   9  -0.061 -10.152  -1.690
   66    HB2  ASP   9           HB2      ASP   9  -2.418 -10.467  -0.943
   67    HB3  ASP   9           HB1      ASP   9  -2.471  -8.807  -0.448
   68    H    LEU  10           HN       LEU  10  -0.401  -7.663   0.766
   69    HA   LEU  10           HA       LEU  10   0.042  -5.383  -0.771
   70    HB2  LEU  10           HB2      LEU  10  -0.630  -5.359   1.607
   71    HB3  LEU  10           HB1      LEU  10   0.974  -5.893   2.051
   72    HG   LEU  10           HG       LEU  10   1.900  -3.790   1.101
   73   HD11  LEU  10          HD11      LEU  10   0.382  -1.917   0.663
   74   HD12  LEU  10          HD12      LEU  10  -0.996  -3.001   0.861
   75   HD13  LEU  10          HD13      LEU  10   0.132  -3.249  -0.466
   76   HD21  LEU  10          HD21      LEU  10   1.495  -3.994   3.493
   77   HD22  LEU  10          HD22      LEU  10  -0.167  -3.448   3.277
   78   HD23  LEU  10          HD23      LEU  10   1.175  -2.353   2.942
   79    H    ARG  11           HN       ARG  11   2.360  -7.596   0.708
   80    HA   ARG  11           HA       ARG  11   4.785  -6.319   0.186
   81    HB2  ARG  11           HB2      ARG  11   4.168  -9.281   0.048
   82    HB3  ARG  11           HB1      ARG  11   5.789  -8.598   0.038
   83    HG2  ARG  11           HG2      ARG  11   5.529  -7.810   2.263
   84    HG3  ARG  11           HG1      ARG  11   3.820  -8.264   2.286
   85    HD2  ARG  11           HD2      ARG  11   4.496 -10.631   1.960
   86    HD3  ARG  11           HD1      ARG  11   6.183 -10.132   2.066
   87    HE   ARG  11           HE       ARG  11   5.669  -9.377   4.344
   88   HH11  ARG  11          HH11      ARG  11   3.797 -12.008   2.855
   89   HH12  ARG  11          HH12      ARG  11   3.191 -12.610   4.318
   90   HH21  ARG  11          HH21      ARG  11   4.842 -10.275   6.411
   91   HH22  ARG  11          HH22      ARG  11   3.819 -11.629   6.377
   92    H    ARG  12           HN       ARG  12   2.803  -8.313  -1.928
   93    HA   ARG  12           HA       ARG  12   4.630  -8.550  -4.067
   94    HB2  ARG  12           HB2      ARG  12   1.614  -8.698  -4.111
   95    HB3  ARG  12           HB1      ARG  12   2.681  -9.252  -5.390
   96    HG2  ARG  12           HG2      ARG  12   3.594 -10.945  -3.899
   97    HG3  ARG  12           HG1      ARG  12   2.546 -10.363  -2.603
   98    HD2  ARG  12           HD2      ARG  12   0.581 -10.900  -3.929
   99    HD3  ARG  12           HD1      ARG  12   1.610 -11.466  -5.247
  100    HE   ARG  12           HE       ARG  12   2.021 -12.743  -2.690
  101   HH11  ARG  12          HH11      ARG  12   0.336 -12.903  -5.814
  102   HH12  ARG  12          HH12      ARG  12   0.033 -14.578  -5.735
  103   HH21  ARG  12          HH21      ARG  12   1.612 -15.007  -2.570
  104   HH22  ARG  12          HH22      ARG  12   0.769 -15.839  -3.808
  105    H    ALA  13           HN       ALA  13   1.690  -6.590  -3.758
  106    HA   ALA  13           HA       ALA  13   1.939  -5.156  -6.126
  107    HB1  ALA  13           HB1      ALA  13   0.654  -4.231  -3.571
  108    HB2  ALA  13           HB2      ALA  13  -0.108  -5.265  -4.786
  109    HB3  ALA  13           HB3      ALA  13   0.335  -3.604  -5.186
  110    H    LEU  14           HN       LEU  14   3.250  -4.471  -2.960
  111    HA   LEU  14           HA       LEU  14   4.177  -1.856  -3.427
  112    HB2  LEU  14           HB2      LEU  14   3.918  -3.085  -1.228
  113    HB3  LEU  14           HB1      LEU  14   5.387  -3.948  -1.612
  114    HG   LEU  14           HG       LEU  14   6.593  -1.755  -1.608
  115   HD11  LEU  14          HD11      LEU  14   5.501   0.169  -0.542
  116   HD12  LEU  14          HD12      LEU  14   3.984  -0.721  -0.496
  117   HD13  LEU  14          HD13      LEU  14   4.698  -0.286  -2.043
  118   HD21  LEU  14          HD21      LEU  14   6.633  -3.246   0.324
  119   HD22  LEU  14          HD22      LEU  14   5.151  -2.508   0.932
  120   HD23  LEU  14          HD23      LEU  14   6.634  -1.558   0.828
  121    H    VAL  15           HN       VAL  15   5.871  -5.008  -3.596
  122    HA   VAL  15           HA       VAL  15   8.277  -3.867  -4.592
  123    HB   VAL  15           HB       VAL  15   7.436  -6.793  -4.603
  124   HG11  VAL  15          HG11      VAL  15   9.276  -6.387  -6.165
  125   HG12  VAL  15          HG12      VAL  15   9.843  -7.301  -4.762
  126   HG13  VAL  15          HG13      VAL  15  10.189  -5.578  -4.891
  127   HG21  VAL  15          HG21      VAL  15   7.457  -5.863  -2.367
  128   HG22  VAL  15          HG22      VAL  15   9.080  -5.233  -2.618
  129   HG23  VAL  15          HG23      VAL  15   8.808  -6.977  -2.577
  130    H    GLU  16           HN       GLU  16   5.401  -5.059  -6.117
  131    HA   GLU  16           HA       GLU  16   6.464  -5.333  -8.735
  132    HB2  GLU  16           HB2      GLU  16   3.643  -4.797  -7.800
  133    HB3  GLU  16           HB1      GLU  16   4.071  -5.043  -9.483
  134    HG2  GLU  16           HG2      GLU  16   4.873  -7.286  -8.960
  135    HG3  GLU  16           HG1      GLU  16   4.475  -7.025  -7.262
  136    H    SER  17           HN       SER  17   5.392  -2.615  -6.888
  137    HA   SER  17           HA       SER  17   5.234  -0.850  -9.153
  138    HB2  SER  17           HB2      SER  17   5.257  -0.249  -6.198
  139    HB3  SER  17           HB1      SER  17   4.784   0.857  -7.490
  140    HG   SER  17           HG       SER  17   3.501  -1.569  -6.725
  141    H    ALA  18           HN       ALA  18   7.491  -1.497  -6.512
  142    HA   ALA  18           HA       ALA  18   9.336   0.533  -7.302
  143    HB1  ALA  18           HB1      ALA  18  10.812  -0.459  -5.625
  144    HB2  ALA  18           HB2      ALA  18   9.727  -1.845  -5.496
  145    HB3  ALA  18           HB3      ALA  18   9.182  -0.248  -4.990
  146    H    GLY  19           HN       GLY  19   8.990  -2.905  -7.869
  147    HA2  GLY  19           HA2      GLY  19   9.637  -3.961  -9.840
  148    HA3  GLY  19           HA1      GLY  19  10.768  -2.651 -10.148
  149    H    GLU  20           HN       GLU  20  12.606  -2.530  -8.746
  150    HA   GLU  20           HA       GLU  20  13.706  -5.222  -8.444
  151    HB2  GLU  20           HB2      GLU  20  14.842  -3.828 -10.013
  152    HB3  GLU  20           HB1      GLU  20  15.014  -2.540  -8.834
  153    HG2  GLU  20           HG2      GLU  20  16.574  -3.846  -7.569
  154    HG3  GLU  20           HG1      GLU  20  16.294  -5.246  -8.603
  155    H    THR  21           HN       THR  21  13.354  -2.218  -6.662
  156    HA   THR  21           HA       THR  21  14.930  -3.135  -4.448
  157    HB   THR  21           HB       THR  21  14.226  -0.829  -3.631
  158    HG1  THR  21           HG1      THR  21  12.423  -0.546  -4.876
  159   HG21  THR  21          HG21      THR  21  15.627  -1.057  -6.302
  160   HG22  THR  21          HG22      THR  21  16.390  -1.290  -4.729
  161   HG23  THR  21          HG23      THR  21  15.759   0.296  -5.180
  162    H    ASP  22           HN       ASP  22  13.745  -4.768  -3.275
  163    HA   ASP  22           HA       ASP  22  10.990  -4.273  -2.622
  164    HB2  ASP  22           HB2      ASP  22  11.005  -6.334  -1.338
  165    HB3  ASP  22           HB1      ASP  22  11.861  -6.619  -2.836
  166    H    GLY  23           HN       GLY  23  13.864  -3.142  -1.479
  167    HA2  GLY  23           HA2      GLY  23  13.762  -1.166  -0.126
  168    HA3  GLY  23           HA1      GLY  23  12.428  -1.890   0.750
  169    H    THR  24           HN       THR  24  12.897  -3.623   2.125
  170    HA   THR  24           HA       THR  24  15.594  -4.000   3.058
  171    HB   THR  24           HB       THR  24  14.987  -1.932   4.264
  172    HG1  THR  24           HG1      THR  24  15.925  -2.750   5.954
  173   HG21  THR  24          HG21      THR  24  12.510  -3.400   5.200
  174   HG22  THR  24          HG22      THR  24  12.554  -2.052   4.067
  175   HG23  THR  24          HG23      THR  24  13.020  -1.802   5.748
  176    H    ASP  25           HN       ASP  25  14.445  -5.051   5.587
  177    HA   ASP  25           HA       ASP  25  13.511  -7.571   4.618
  178    HB2  ASP  25           HB2      ASP  25  14.705  -7.525   6.746
  179    HB3  ASP  25           HB1      ASP  25  13.467  -6.475   7.444
  180    H    LEU  26           HN       LEU  26  11.644  -7.771   3.724
  181    HA   LEU  26           HA       LEU  26   9.333  -6.231   4.731
  182    HB2  LEU  26           HB2      LEU  26  10.418  -6.128   2.282
  183    HB3  LEU  26           HB1      LEU  26   9.449  -7.569   2.068
  184    HG   LEU  26           HG       LEU  26   7.455  -6.175   2.784
  185   HD11  LEU  26          HD11      LEU  26   7.684  -3.755   2.538
  186   HD12  LEU  26          HD12      LEU  26   9.423  -3.951   2.314
  187   HD13  LEU  26          HD13      LEU  26   8.682  -4.381   3.853
  188   HD21  LEU  26          HD21      LEU  26   7.864  -6.796   0.454
  189   HD22  LEU  26          HD22      LEU  26   8.926  -5.398   0.268
  190   HD23  LEU  26          HD23      LEU  26   7.206  -5.163   0.569
  191    H    SER  27           HN       SER  27  10.739  -8.996   5.236
  192    HA   SER  27           HA       SER  27   9.163 -11.083   4.232
  193    HB2  SER  27           HB2      SER  27  10.819 -11.160   6.736
  194    HB3  SER  27           HB1      SER  27  10.469 -12.471   5.604
  195    HG   SER  27           HG       SER  27  12.390 -10.617   5.587
  196    H    GLY  28           HN       GLY  28   9.233  -9.574   7.473
  197    HA2  GLY  28           HA2      GLY  28   6.906 -11.191   8.170
  198    HA3  GLY  28           HA1      GLY  28   7.955 -10.340   9.297
  199    H    ASP  29           HN       ASP  29   7.704  -8.123   9.585
  200    HA   ASP  29           HA       ASP  29   5.152  -7.069   8.608
  201    HB2  ASP  29           HB2      ASP  29   6.104  -6.966  11.474
  202    HB3  ASP  29           HB1      ASP  29   4.728  -6.083  10.835
  203    H    PHE  30           HN       PHE  30   5.268  -5.123   7.923
  204    HA   PHE  30           HA       PHE  30   7.435  -3.363   8.704
  205    HB2  PHE  30           HB2      PHE  30   7.635  -2.735   6.331
  206    HB3  PHE  30           HB1      PHE  30   8.112  -4.394   6.625
  207    HD1  PHE  30           HD2      PHE  30   5.567  -2.269   5.047
  208    HD2  PHE  30           HD1      PHE  30   6.800  -6.256   5.811
  209    HE1  PHE  30           HE2      PHE  30   4.013  -3.073   3.314
  210    HE2  PHE  30           HE1      PHE  30   5.252  -7.072   4.093
  211    HZ   PHE  30           HZ       PHE  30   3.856  -5.483   2.834
  212    H    LEU  31           HN       LEU  31   4.507  -3.837   9.198
  213    HA   LEU  31           HA       LEU  31   3.171  -1.762   7.713
  214    HB2  LEU  31           HB2      LEU  31   2.201  -3.531   9.946
  215    HB3  LEU  31           HB1      LEU  31   1.205  -2.443   8.993
  216    HG   LEU  31           HG       LEU  31   2.713  -4.804   7.877
  217   HD11  LEU  31          HD11      LEU  31  -0.205  -4.447   8.482
  218   HD12  LEU  31          HD12      LEU  31   0.934  -5.504   9.337
  219   HD13  LEU  31          HD13      LEU  31   0.535  -5.817   7.643
  220   HD21  LEU  31          HD21      LEU  31   0.682  -2.953   6.627
  221   HD22  LEU  31          HD22      LEU  31   1.385  -4.388   5.873
  222   HD23  LEU  31          HD23      LEU  31   2.410  -3.009   6.259
  223    H    ASP  32           HN       ASP  32   4.434  -2.338  10.929
  224    HA   ASP  32           HA       ASP  32   3.597   0.326  11.738
  225    HB2  ASP  32           HB2      ASP  32   4.971  -1.884  13.287
  226    HB3  ASP  32           HB1      ASP  32   4.673  -0.284  13.952
  227    H    LEU  33           HN       LEU  33   6.074  -1.179  10.262
  228    HA   LEU  33           HA       LEU  33   8.167   0.707  10.825
  229    HB2  LEU  33           HB2      LEU  33   7.602  -1.325   8.703
  230    HB3  LEU  33           HB1      LEU  33   8.967  -0.296   8.473
  231    HG   LEU  33           HG       LEU  33   8.528  -2.329  10.670
  232   HD11  LEU  33          HD11      LEU  33   9.145  -3.254   8.504
  233   HD12  LEU  33          HD12      LEU  33  10.475  -3.415   9.645
  234   HD13  LEU  33          HD13      LEU  33  10.518  -2.151   8.407
  235   HD21  LEU  33          HD21      LEU  33  10.791  -1.773  11.408
  236   HD22  LEU  33          HD22      LEU  33   9.691  -0.394  11.567
  237   HD23  LEU  33          HD23      LEU  33  10.839  -0.475  10.217
  238    H    ARG  34           HN       ARG  34   8.633   2.573   9.476
  239    HA   ARG  34           HA       ARG  34   6.227   3.449   8.105
  240    HB2  ARG  34           HB2      ARG  34   8.658   4.864   9.104
  241    HB3  ARG  34           HB1      ARG  34   7.637   5.626   7.911
  242    HG2  ARG  34           HG2      ARG  34   7.029   6.445  10.071
  243    HG3  ARG  34           HG1      ARG  34   5.729   5.406   9.506
  244    HD2  ARG  34           HD2      ARG  34   6.484   3.621  10.972
  245    HD3  ARG  34           HD1      ARG  34   7.896   4.577  11.438
  246    HE   ARG  34           HE       ARG  34   5.778   6.162  12.012
  247   HH11  ARG  34          HH11      ARG  34   6.534   2.826  12.967
  248   HH12  ARG  34          HH12      ARG  34   5.987   3.018  14.564
  249   HH21  ARG  34          HH21      ARG  34   4.914   6.337  14.176
  250   HH22  ARG  34          HH22      ARG  34   5.048   5.033  15.274
  251    H    PHE  35           HN       PHE  35   6.764   4.948   6.129
  252    HA   PHE  35           HA       PHE  35   7.615   3.127   4.126
  253    HB2  PHE  35           HB2      PHE  35   6.945   6.071   3.924
  254    HB3  PHE  35           HB1      PHE  35   7.203   5.001   2.553
  255    HD1  PHE  35           HD2      PHE  35   5.690   2.865   2.492
  256    HD2  PHE  35           HD1      PHE  35   4.810   6.378   4.738
  257    HE1  PHE  35           HE2      PHE  35   3.316   2.229   2.564
  258    HE2  PHE  35           HE1      PHE  35   2.442   5.735   4.812
  259    HZ   PHE  35           HZ       PHE  35   1.683   3.699   3.644
  260    H    GLU  36           HN       GLU  36   8.995   5.855   5.736
  261    HA   GLU  36           HA       GLU  36  11.323   6.162   4.190
  262    HB2  GLU  36           HB2      GLU  36  11.116   6.673   7.169
  263    HB3  GLU  36           HB1      GLU  36  12.178   7.464   6.019
  264    HG2  GLU  36           HG2      GLU  36  10.615   9.103   6.350
  265    HG3  GLU  36           HG1      GLU  36   9.912   8.275   4.964
  266    H    ASP  37           HN       ASP  37  10.436   4.115   6.872
  267    HA   ASP  37           HA       ASP  37  13.024   3.122   7.490
  268    HB2  ASP  37           HB2      ASP  37  10.287   2.022   8.141
  269    HB3  ASP  37           HB1      ASP  37  11.780   1.312   8.732
  270    H    ILE  38           HN       ILE  38  10.502   2.114   5.326
  271    HA   ILE  38           HA       ILE  38  12.000  -0.288   4.699
  272    HB   ILE  38           HB       ILE  38  10.157  -0.920   3.179
  273   HG12  ILE  38          HG12      ILE  38   8.893   1.621   4.186
  274   HG13  ILE  38          HG11      ILE  38   9.460   1.351   2.543
  275   HG21  ILE  38          HG21      ILE  38   8.473  -1.333   4.927
  276   HG22  ILE  38          HG22      ILE  38   9.276  -0.161   5.970
  277   HG23  ILE  38          HG23      ILE  38  10.113  -1.645   5.506
  278   HD11  ILE  38          HD11      ILE  38   7.062   1.156   2.606
  279   HD12  ILE  38          HD12      ILE  38   7.162  -0.006   3.921
  280   HD13  ILE  38          HD13      ILE  38   7.755  -0.441   2.309
  281    H    GLY  39           HN       GLY  39  12.544   2.679   3.884
  282    HA2  GLY  39           HA2      GLY  39  13.835   3.625   2.237
  283    HA3  GLY  39           HA1      GLY  39  14.114   2.004   1.632
  284    H    TYR  40           HN       TYR  40  11.001   3.681   1.873
  285    HA   TYR  40           HA       TYR  40  10.857   3.480  -1.042
  286    HB2  TYR  40           HB2      TYR  40   8.746   3.078   1.037
  287    HB3  TYR  40           HB1      TYR  40   8.291   3.821  -0.479
  288    HD1  TYR  40           HD2      TYR  40  10.277   0.861   0.677
  289    HD2  TYR  40           HD1      TYR  40   7.566   2.506  -2.143
  290    HE1  TYR  40           HE2      TYR  40  10.128  -1.326  -0.437
  291    HE2  TYR  40           HE1      TYR  40   7.381   0.376  -3.266
  292    HH   TYR  40           HH       TYR  40   8.657  -2.542  -1.882
  293    H    ASP  41           HN       ASP  41   9.940   5.057  -2.243
  294    HA   ASP  41           HA       ASP  41   9.753   7.687  -0.968
  295    HB2  ASP  41           HB2      ASP  41  10.103   7.021  -3.901
  296    HB3  ASP  41           HB1      ASP  41   9.839   8.601  -3.299
  297    H    SER  42           HN       SER  42   8.188   9.002  -2.162
  298    HA   SER  42           HA       SER  42   5.621   7.869  -1.687
  299    HB2  SER  42           HB2      SER  42   4.937  10.185  -2.299
  300    HB3  SER  42           HB1      SER  42   6.257  10.169  -1.119
  301    H    LEU  43           HN       LEU  43   7.494   8.837  -4.428
  302    HA   LEU  43           HA       LEU  43   5.657   8.830  -6.492
  303    HB2  LEU  43           HB2      LEU  43   7.980   9.620  -6.656
  304    HB3  LEU  43           HB1      LEU  43   8.544   7.965  -6.592
  305    HG   LEU  43           HG       LEU  43   7.400   7.505  -8.724
  306   HD11  LEU  43          HD11      LEU  43   6.821  10.461  -8.679
  307   HD12  LEU  43          HD12      LEU  43   5.631   9.165  -8.557
  308   HD13  LEU  43          HD13      LEU  43   6.552   9.379 -10.043
  309   HD21  LEU  43          HD21      LEU  43   9.301   9.844  -8.764
  310   HD22  LEU  43          HD22      LEU  43   8.941   8.785 -10.129
  311   HD23  LEU  43          HD23      LEU  43   9.749   8.140  -8.696
  312    H    ALA  44           HN       ALA  44   7.519   6.137  -5.199
  313    HA   ALA  44           HA       ALA  44   6.413   4.230  -7.046
  314    HB1  ALA  44           HB1      ALA  44   7.645   2.563  -5.746
  315    HB2  ALA  44           HB2      ALA  44   8.002   3.778  -4.521
  316    HB3  ALA  44           HB3      ALA  44   8.680   3.936  -6.143
  317    H    LEU  45           HN       LEU  45   5.799   5.387  -3.864
  318    HA   LEU  45           HA       LEU  45   4.190   3.340  -2.851
  319    HB2  LEU  45           HB2      LEU  45   5.379   5.409  -1.795
  320    HB3  LEU  45           HB1      LEU  45   3.894   6.246  -2.180
  321    HG   LEU  45           HG       LEU  45   4.170   3.892  -0.312
  322   HD11  LEU  45          HD11      LEU  45   5.243   5.864   0.503
  323   HD12  LEU  45          HD12      LEU  45   3.777   5.521   1.422
  324   HD13  LEU  45          HD13      LEU  45   3.783   6.822   0.221
  325   HD21  LEU  45          HD21      LEU  45   1.959   3.980  -1.327
  326   HD22  LEU  45          HD22      LEU  45   1.801   5.680  -0.866
  327   HD23  LEU  45          HD23      LEU  45   1.898   4.428   0.379
  328    H    MET  46           HN       MET  46   3.399   6.410  -4.549
  329    HA   MET  46           HA       MET  46   0.637   6.159  -4.646
  330    HB2  MET  46           HB2      MET  46   2.462   7.314  -6.757
  331    HB3  MET  46           HB1      MET  46   0.717   7.503  -6.742
  332    HG2  MET  46           HG2      MET  46   0.988   8.569  -4.473
  333    HG3  MET  46           HG1      MET  46   2.714   8.554  -4.785
  334    HE1  MET  46           HE1      MET  46   3.162  10.905  -7.852
  335    HE2  MET  46           HE2      MET  46   3.031   9.147  -7.846
  336    HE3  MET  46           HE3      MET  46   3.966   9.962  -6.595
  337    H    GLU  47           HN       GLU  47   3.039   4.679  -6.721
  338    HA   GLU  47           HA       GLU  47   1.271   3.611  -8.647
  339    HB2  GLU  47           HB2      GLU  47   3.994   2.645  -7.789
  340    HB3  GLU  47           HB1      GLU  47   3.169   2.171  -9.272
  341    HG2  GLU  47           HG2      GLU  47   4.097   4.941  -8.546
  342    HG3  GLU  47           HG1      GLU  47   4.901   3.835  -9.653
  343    H    THR  48           HN       THR  48   2.581   2.384  -5.614
  344    HA   THR  48           HA       THR  48   1.652  -0.243  -5.703
  345    HB   THR  48           HB       THR  48   1.952   1.583  -3.306
  346    HG1  THR  48           HG1      THR  48   3.697   0.542  -5.053
  347   HG21  THR  48          HG21      THR  48   0.724  -0.487  -2.778
  348   HG22  THR  48          HG22      THR  48   2.336  -0.511  -2.053
  349   HG23  THR  48          HG23      THR  48   2.011  -1.440  -3.514
  350    H    ALA  49           HN       ALA  49   0.172   2.645  -4.252
  351    HA   ALA  49           HA       ALA  49  -2.257   1.496  -3.452
  352    HB1  ALA  49           HB1      ALA  49  -3.096   3.774  -3.358
  353    HB2  ALA  49           HB2      ALA  49  -1.717   4.334  -4.302
  354    HB3  ALA  49           HB3      ALA  49  -1.469   3.679  -2.686
  355    H    ALA  50           HN       ALA  50  -1.292   3.017  -6.487
  356    HA   ALA  50           HA       ALA  50  -3.770   3.065  -7.775
  357    HB1  ALA  50           HB1      ALA  50  -1.779   4.255  -8.574
  358    HB2  ALA  50           HB2      ALA  50  -2.515   3.273  -9.841
  359    HB3  ALA  50           HB3      ALA  50  -1.053   2.711  -9.030
  360    H    ARG  51           HN       ARG  51  -1.323   0.526  -7.658
  361    HA   ARG  51           HA       ARG  51  -2.514  -1.322  -9.424
  362    HB2  ARG  51           HB2      ARG  51  -0.845  -1.849  -6.953
  363    HB3  ARG  51           HB1      ARG  51  -1.238  -3.053  -8.166
  364    HG2  ARG  51           HG2      ARG  51   0.370  -0.556  -8.660
  365    HG3  ARG  51           HG1      ARG  51   1.040  -2.163  -8.381
  366    HD2  ARG  51           HD2      ARG  51  -0.150  -2.979 -10.367
  367    HD3  ARG  51           HD1      ARG  51  -0.768  -1.354 -10.652
  368    HE   ARG  51           HE       ARG  51   1.666  -0.713 -10.811
  369   HH11  ARG  51          HH11      ARG  51   0.530  -3.933 -11.668
  370   HH12  ARG  51          HH12      ARG  51   1.687  -4.224 -12.871
  371   HH21  ARG  51          HH21      ARG  51   3.282  -1.047 -12.384
  372   HH22  ARG  51          HH22      ARG  51   3.393  -2.487 -13.290
  373    H    LEU  52           HN       LEU  52  -2.870  -0.789  -5.991
  374    HA   LEU  52           HA       LEU  52  -4.549  -3.002  -5.486
  375    HB2  LEU  52           HB2      LEU  52  -4.204  -0.474  -3.884
  376    HB3  LEU  52           HB1      LEU  52  -4.922  -1.967  -3.309
  377    HG   LEU  52           HG       LEU  52  -2.052  -1.596  -4.150
  378   HD11  LEU  52          HD11      LEU  52  -2.539  -0.542  -2.028
  379   HD12  LEU  52          HD12      LEU  52  -1.523  -1.964  -1.805
  380   HD13  LEU  52          HD13      LEU  52  -3.247  -2.039  -1.427
  381   HD21  LEU  52          HD21      LEU  52  -2.835  -3.820  -4.694
  382   HD22  LEU  52          HD22      LEU  52  -3.457  -4.027  -3.055
  383   HD23  LEU  52          HD23      LEU  52  -1.721  -3.872  -3.333
  384    H    GLU  53           HN       GLU  53  -5.225   0.432  -6.059
  385    HA   GLU  53           HA       GLU  53  -8.027   0.361  -5.762
  386    HB2  GLU  53           HB2      GLU  53  -6.398   2.010  -7.705
  387    HB3  GLU  53           HB1      GLU  53  -8.064   2.306  -7.249
  388    HG2  GLU  53           HG2      GLU  53  -7.349   2.816  -4.974
  389    HG3  GLU  53           HG1      GLU  53  -5.672   2.495  -5.436
  390    H    SER  54           HN       SER  54  -5.976  -0.291  -8.569
  391    HA   SER  54           HA       SER  54  -8.164  -0.584 -10.349
  392    HB2  SER  54           HB2      SER  54  -5.300  -1.469 -10.683
  393    HB3  SER  54           HB1      SER  54  -6.484  -1.271 -11.976
  394    HG   SER  54           HG       SER  54  -5.172   0.646 -10.430
  395    H    ARG  55           HN       ARG  55  -6.174  -2.916  -8.591
  396    HA   ARG  55           HA       ARG  55  -7.448  -5.154  -9.836
  397    HB2  ARG  55           HB2      ARG  55  -5.174  -5.395  -9.168
  398    HB3  ARG  55           HB1      ARG  55  -5.539  -4.930  -7.516
  399    HG2  ARG  55           HG2      ARG  55  -6.773  -6.999  -7.193
  400    HG3  ARG  55           HG1      ARG  55  -6.456  -7.454  -8.871
  401    HD2  ARG  55           HD2      ARG  55  -4.147  -7.659  -8.483
  402    HD3  ARG  55           HD1      ARG  55  -4.257  -6.826  -6.931
  403    HE   ARG  55           HE       ARG  55  -5.719  -9.320  -7.151
  404   HH11  ARG  55          HH11      ARG  55  -2.598  -7.820  -6.243
  405   HH12  ARG  55          HH12      ARG  55  -2.368  -8.952  -4.975
  406   HH21  ARG  55          HH21      ARG  55  -5.179 -10.917  -5.453
  407   HH22  ARG  55          HH22      ARG  55  -3.730 -10.628  -4.574
  408    H    TYR  56           HN       TYR  56  -7.892  -3.471  -6.743
  409    HA   TYR  56           HA       TYR  56  -9.908  -5.452  -6.052
  410    HB2  TYR  56           HB2      TYR  56  -8.591  -3.311  -4.376
  411    HB3  TYR  56           HB1      TYR  56  -9.926  -4.307  -3.790
  412    HD1  TYR  56           HD2      TYR  56  -6.421  -4.340  -4.908
  413    HD2  TYR  56           HD1      TYR  56  -9.565  -6.612  -3.163
  414    HE1  TYR  56           HE2      TYR  56  -4.801  -6.047  -4.218
  415    HE2  TYR  56           HE1      TYR  56  -7.949  -8.331  -2.470
  416    HH   TYR  56           HH       TYR  56  -5.762  -9.116  -2.896
  417    H    GLY  57           HN       GLY  57  -9.778  -2.447  -7.496
  418    HA2  GLY  57           HA2      GLY  57 -11.532  -1.340  -8.473
  419    HA3  GLY  57           HA1      GLY  57 -12.635  -2.434  -7.654
  420    H    VAL  58           HN       VAL  58 -10.264   0.028  -6.616
  421    HA   VAL  58           HA       VAL  58 -12.445   1.265  -5.105
  422    HB   VAL  58           HB       VAL  58 -11.274   1.517  -3.085
  423   HG11  VAL  58          HG11      VAL  58 -10.524  -1.173  -4.057
  424   HG12  VAL  58          HG12      VAL  58 -12.117  -0.745  -3.396
  425   HG13  VAL  58          HG13      VAL  58 -10.674  -0.735  -2.354
  426   HG21  VAL  58          HG21      VAL  58  -9.064   2.153  -3.878
  427   HG22  VAL  58          HG22      VAL  58  -8.731   0.485  -4.362
  428   HG23  VAL  58          HG23      VAL  58  -8.959   0.892  -2.652
  429    H    SER  59           HN       SER  59 -11.465   3.485  -4.081
  430    HA   SER  59           HA       SER  59  -9.453   4.616  -5.736
  431    HB2  SER  59           HB2      SER  59 -10.962   6.663  -6.121
  432    HB3  SER  59           HB1      SER  59 -11.214   5.243  -7.141
  433    HG   SER  59           HG       SER  59 -13.063   4.923  -6.296
  434    H    ILE  60           HN       ILE  60  -8.217   5.874  -4.655
  435    HA   ILE  60           HA       ILE  60  -9.004   6.616  -1.928
  436    HB   ILE  60           HB       ILE  60  -6.245   6.412  -3.187
  437   HG12  ILE  60          HG12      ILE  60  -7.619   4.611  -1.175
  438   HG13  ILE  60          HG11      ILE  60  -7.346   4.228  -2.868
  439   HG21  ILE  60          HG21      ILE  60  -5.385   6.656  -0.903
  440   HG22  ILE  60          HG22      ILE  60  -7.023   6.985  -0.320
  441   HG23  ILE  60          HG23      ILE  60  -6.238   8.102  -1.441
  442   HD11  ILE  60          HD11      ILE  60  -5.750   3.098  -1.444
  443   HD12  ILE  60          HD12      ILE  60  -5.226   4.644  -0.776
  444   HD13  ILE  60          HD13      ILE  60  -4.927   4.278  -2.474
  445    HA   PRO  61           HA       PRO  61  -9.338  10.793  -3.687
  446    HB2  PRO  61           HB2      PRO  61  -9.996  11.379  -0.847
  447    HB3  PRO  61           HB1      PRO  61 -10.911  11.766  -2.310
  448    HG2  PRO  61           HG2      PRO  61 -11.755   9.828  -0.698
  449    HG3  PRO  61           HG1      PRO  61 -11.833   9.632  -2.459
  450    HD2  PRO  61           HD2      PRO  61  -9.824   8.538  -0.530
  451    HD3  PRO  61           HD1      PRO  61 -10.648   7.716  -1.870
  452    H    ASP  62           HN       ASP  62  -8.245  12.827  -3.262
  453    HA   ASP  62           HA       ASP  62  -5.504  12.525  -2.765
  454    HB2  ASP  62           HB2      ASP  62  -7.089  15.116  -2.793
  455    HB3  ASP  62           HB1      ASP  62  -5.346  14.982  -2.929
  456    H    ASP  63           HN       ASP  63  -8.026  13.961  -0.739
  457    HA   ASP  63           HA       ASP  63  -6.373  14.816   1.401
  458    HB2  ASP  63           HB2      ASP  63  -8.709  15.554   1.143
  459    HB3  ASP  63           HB1      ASP  63  -9.265  13.919   1.485
  460    H    VAL  64           HN       VAL  64  -7.963  11.858   0.675
  461    HA   VAL  64           HA       VAL  64  -7.497  10.642   3.210
  462    HB   VAL  64           HB       VAL  64  -8.457   9.378   0.617
  463   HG11  VAL  64          HG11      VAL  64  -9.413   7.626   2.009
  464   HG12  VAL  64          HG12      VAL  64  -8.720   8.375   3.447
  465   HG13  VAL  64          HG13      VAL  64  -7.660   7.704   2.207
  466   HG21  VAL  64          HG21      VAL  64 -10.030  10.505   2.928
  467   HG22  VAL  64          HG22      VAL  64 -10.710   9.638   1.547
  468   HG23  VAL  64          HG23      VAL  64  -9.906  11.189   1.304
  469    H    ALA  65           HN       ALA  65  -5.659  11.064   0.401
  470    HA   ALA  65           HA       ALA  65  -3.973   8.759   0.762
  471    HB1  ALA  65           HB1      ALA  65  -2.614   9.740  -1.022
  472    HB2  ALA  65           HB2      ALA  65  -3.565  11.224  -0.938
  473    HB3  ALA  65           HB3      ALA  65  -4.320   9.723  -1.466
  474    H    GLY  66           HN       GLY  66  -4.279  11.808   2.178
  475    HA2  GLY  66           HA2      GLY  66  -1.481  12.051   2.918
  476    HA3  GLY  66           HA1      GLY  66  -2.781  13.149   3.361
  477    H    ARG  67           HN       ARG  67  -3.547   9.921   3.844
  478    HA   ARG  67           HA       ARG  67  -3.344  10.273   6.750
  479    HB2  ARG  67           HB2      ARG  67  -4.990   8.365   5.096
  480    HB3  ARG  67           HB1      ARG  67  -5.040   8.493   6.848
  481    HG2  ARG  67           HG2      ARG  67  -5.910  10.733   6.707
  482    HG3  ARG  67           HG1      ARG  67  -5.737  10.718   4.952
  483    HD2  ARG  67           HD2      ARG  67  -8.052  10.319   5.634
  484    HD3  ARG  67           HD1      ARG  67  -7.375   8.934   4.785
  485    HE   ARG  67           HE       ARG  67  -7.114   7.869   6.977
  486   HH11  ARG  67          HH11      ARG  67  -9.399  10.567   6.708
  487   HH12  ARG  67          HH12      ARG  67 -10.311  10.064   8.071
  488   HH21  ARG  67          HH21      ARG  67  -8.331   7.201   8.727
  489   HH22  ARG  67          HH22      ARG  67  -9.675   8.097   9.302
  490    H    VAL  68           HN       VAL  68  -1.333   9.127   4.600
  491    HA   VAL  68           HA       VAL  68  -0.944   6.542   5.919
  492    HB   VAL  68           HB       VAL  68   0.464   5.894   3.954
  493   HG11  VAL  68          HG11      VAL  68  -1.423   5.547   2.420
  494   HG12  VAL  68          HG12      VAL  68  -2.374   6.708   3.343
  495   HG13  VAL  68          HG13      VAL  68  -1.852   5.199   4.096
  496   HG21  VAL  68          HG21      VAL  68   1.094   8.112   3.137
  497   HG22  VAL  68          HG22      VAL  68  -0.590   8.466   2.753
  498   HG23  VAL  68          HG23      VAL  68   0.268   7.203   1.869
  499    H    ASP  69           HN       ASP  69   0.338   6.732   7.592
  500    HA   ASP  69           HA       ASP  69   2.936   8.092   7.276
  501    HB2  ASP  69           HB2      ASP  69   1.686   8.895   9.216
  502    HB3  ASP  69           HB1      ASP  69   1.356   7.254   9.733
  503    H    THR  70           HN       THR  70   1.261   5.164   8.010
  504    HA   THR  70           HA       THR  70   3.748   3.612   7.735
  505    HB   THR  70           HB       THR  70   2.635   1.944   9.253
  506    HG1  THR  70           HG1      THR  70   0.803   4.113   9.534
  507   HG21  THR  70          HG21      THR  70   3.112   4.678  10.440
  508   HG22  THR  70          HG22      THR  70   4.350   3.466  10.112
  509   HG23  THR  70          HG23      THR  70   3.110   3.159  11.337
  510    HA   PRO  71           HA       PRO  71   1.603   1.313   4.478
  511    HB2  PRO  71           HB2      PRO  71   2.854  -1.147   5.602
  512    HB3  PRO  71           HB1      PRO  71   2.969  -0.462   3.980
  513    HG2  PRO  71           HG2      PRO  71   4.994  -0.324   5.700
  514    HG3  PRO  71           HG1      PRO  71   4.657   0.998   4.567
  515    HD2  PRO  71           HD2      PRO  71   4.046   0.773   7.484
  516    HD3  PRO  71           HD1      PRO  71   4.601   2.189   6.568
  517    H    ARG  72           HN       ARG  72   1.436   0.445   7.832
  518    HA   ARG  72           HA       ARG  72  -0.524  -1.552   7.874
  519    HB2  ARG  72           HB2      ARG  72   0.757  -0.688   9.851
  520    HB3  ARG  72           HB1      ARG  72  -0.240   0.755   9.806
  521    HG2  ARG  72           HG2      ARG  72  -2.236  -0.723  10.148
  522    HG3  ARG  72           HG1      ARG  72  -1.114  -2.060  10.410
  523    HD2  ARG  72           HD2      ARG  72  -1.727  -1.163  12.551
  524    HD3  ARG  72           HD1      ARG  72  -0.052  -0.718  12.223
  525    HE   ARG  72           HE       ARG  72  -2.247   1.146  11.638
  526   HH11  ARG  72          HH11      ARG  72   0.781   0.451  13.457
  527   HH12  ARG  72          HH12      ARG  72   0.854   2.028  14.075
  528   HH21  ARG  72          HH21      ARG  72  -2.051   3.289  12.542
  529   HH22  ARG  72          HH22      ARG  72  -0.737   3.667  13.557
  530    H    GLU  73           HN       GLU  73  -0.749   1.966   7.902
  531    HA   GLU  73           HA       GLU  73  -3.564   2.163   7.951
  532    HB2  GLU  73           HB2      GLU  73  -1.479   4.115   7.021
  533    HB3  GLU  73           HB1      GLU  73  -3.162   4.496   7.365
  534    HG2  GLU  73           HG2      GLU  73  -2.889   4.049   9.660
  535    HG3  GLU  73           HG1      GLU  73  -1.289   3.343   9.395
  536    H    LEU  74           HN       LEU  74  -1.156   2.238   5.381
  537    HA   LEU  74           HA       LEU  74  -2.790   2.895   3.187
  538    HB2  LEU  74           HB2      LEU  74  -0.207   2.521   3.359
  539    HB3  LEU  74           HB1      LEU  74  -0.574   0.845   3.054
  540    HG   LEU  74           HG       LEU  74  -1.003   3.170   1.165
  541   HD11  LEU  74          HD11      LEU  74   1.299   2.524   1.426
  542   HD12  LEU  74          HD12      LEU  74   0.701   2.103  -0.176
  543   HD13  LEU  74          HD13      LEU  74   0.889   0.848   1.053
  544   HD21  LEU  74          HD21      LEU  74  -1.637   1.529  -0.538
  545   HD22  LEU  74          HD22      LEU  74  -2.762   1.495   0.821
  546   HD23  LEU  74          HD23      LEU  74  -1.537   0.237   0.661
  547    H    LEU  75           HN       LEU  75  -1.912  -0.256   4.501
  548    HA   LEU  75           HA       LEU  75  -3.458  -1.913   2.860
  549    HB2  LEU  75           HB2      LEU  75  -1.587  -2.579   4.375
  550    HB3  LEU  75           HB1      LEU  75  -2.640  -2.304   5.742
  551    HG   LEU  75           HG       LEU  75  -4.124  -4.132   4.835
  552   HD11  LEU  75          HD11      LEU  75  -1.735  -4.635   3.087
  553   HD12  LEU  75          HD12      LEU  75  -3.316  -4.071   2.526
  554   HD13  LEU  75          HD13      LEU  75  -3.147  -5.677   3.243
  555   HD21  LEU  75          HD21      LEU  75  -1.283  -4.845   5.549
  556   HD22  LEU  75          HD22      LEU  75  -2.677  -5.923   5.659
  557   HD23  LEU  75          HD23      LEU  75  -2.583  -4.491   6.686
  558    H    ASP  76           HN       ASP  76  -4.043  -0.684   6.112
  559    HA   ASP  76           HA       ASP  76  -6.562  -1.821   6.597
  560    HB2  ASP  76           HB2      ASP  76  -5.121  -1.043   8.369
  561    HB3  ASP  76           HB1      ASP  76  -5.252   0.614   7.801
  562    H    LEU  77           HN       LEU  77  -5.714   1.383   5.370
  563    HA   LEU  77           HA       LEU  77  -8.172   2.653   5.368
  564    HB2  LEU  77           HB2      LEU  77  -5.970   3.674   4.852
  565    HB3  LEU  77           HB1      LEU  77  -5.978   2.858   3.310
  566    HG   LEU  77           HG       LEU  77  -7.999   4.174   2.698
  567   HD11  LEU  77          HD11      LEU  77  -8.503   6.159   4.039
  568   HD12  LEU  77          HD12      LEU  77  -7.349   5.595   5.256
  569   HD13  LEU  77          HD13      LEU  77  -8.800   4.648   4.909
  570   HD21  LEU  77          HD21      LEU  77  -6.748   6.254   2.307
  571   HD22  LEU  77          HD22      LEU  77  -5.775   4.829   1.950
  572   HD23  LEU  77          HD23      LEU  77  -5.517   5.715   3.453
  573    H    ILE  78           HN       ILE  78  -6.674   0.674   2.868
  574    HA   ILE  78           HA       ILE  78  -8.853   0.836   1.057
  575    HB   ILE  78           HB       ILE  78  -6.512  -1.093   1.209
  576   HG12  ILE  78          HG12      ILE  78  -7.049   1.324  -0.538
  577   HG13  ILE  78          HG11      ILE  78  -5.931   1.255   0.812
  578   HG21  ILE  78          HG21      ILE  78  -7.052  -1.726  -1.104
  579   HG22  ILE  78          HG22      ILE  78  -8.518  -0.754  -1.035
  580   HG23  ILE  78          HG23      ILE  78  -8.342  -2.174   0.011
  581   HD11  ILE  78          HD11      ILE  78  -4.780   1.117  -1.316
  582   HD12  ILE  78          HD12      ILE  78  -5.733  -0.296  -1.751
  583   HD13  ILE  78          HD13      ILE  78  -4.589  -0.386  -0.408
  584    H    ASN  79           HN       ASN  79  -7.745  -1.584   3.375
  585    HA   ASN  79           HA       ASN  79  -9.616  -3.614   2.945
  586    HB2  ASN  79           HB2      ASN  79  -8.162  -2.745   5.420
  587    HB3  ASN  79           HB1      ASN  79  -9.360  -4.016   5.501
  588   HD21  ASN  79          HD21      ASN  79  -7.157  -3.567   2.768
  589   HD22  ASN  79          HD22      ASN  79  -6.267  -5.015   3.076
  590    H    GLY  80           HN       GLY  80  -9.865  -0.839   5.117
  591    HA2  GLY  80           HA2      GLY  80 -12.436  -1.508   6.077
  592    HA3  GLY  80           HA1      GLY  80 -11.632   0.043   6.237
  593    H    ALA  81           HN       ALA  81 -11.307   0.512   3.419
  594    HA   ALA  81           HA       ALA  81 -13.807   1.761   2.955
  595    HB1  ALA  81           HB1      ALA  81 -12.825   2.527   0.870
  596    HB2  ALA  81           HB2      ALA  81 -11.461   1.405   1.100
  597    HB3  ALA  81           HB3      ALA  81 -11.712   2.742   2.218
  598    H    LEU  82           HN       LEU  82 -12.329  -1.172   1.830
  599    HA   LEU  82           HA       LEU  82 -13.884  -1.945  -0.303
  600    HB2  LEU  82           HB2      LEU  82 -12.832  -3.629   1.959
  601    HB3  LEU  82           HB1      LEU  82 -13.527  -4.287   0.497
  602    HG   LEU  82           HG       LEU  82 -11.088  -2.516   0.515
  603   HD11  LEU  82          HD11      LEU  82 -10.667  -4.568   1.777
  604   HD12  LEU  82          HD12      LEU  82  -9.803  -4.573   0.241
  605   HD13  LEU  82          HD13      LEU  82 -11.275  -5.523   0.429
  606   HD21  LEU  82          HD21      LEU  82 -10.769  -3.431  -1.724
  607   HD22  LEU  82          HD22      LEU  82 -12.319  -2.599  -1.598
  608   HD23  LEU  82          HD23      LEU  82 -12.254  -4.360  -1.560
  609    H    ALA  83           HN       ALA  83 -14.658  -2.340   3.145
  610    HA   ALA  83           HA       ALA  83 -17.093  -3.780   2.521
  611    HB1  ALA  83           HB1      ALA  83 -16.134  -2.796   5.202
  612    HB2  ALA  83           HB2      ALA  83 -15.732  -4.360   4.485
  613    HB3  ALA  83           HB3      ALA  83 -17.405  -3.983   4.898
  614    H    GLU  84           HN       GLU  84 -16.433  -0.593   2.346
  615    HA   GLU  84           HA       GLU  84 -18.958   0.299   3.443
  616    HB2  GLU  84           HB2      GLU  84 -17.001   1.826   1.712
  617    HB3  GLU  84           HB1      GLU  84 -18.318   2.510   2.649
  618    HG2  GLU  84           HG2      GLU  84 -17.193   1.709   4.711
  619    HG3  GLU  84           HG1      GLU  84 -15.840   1.190   3.703
  620    H    ALA  85           HN       ALA  85 -17.828  -1.118   0.646
  621    HA   ALA  85           HA       ALA  85 -20.299  -0.461  -0.771
  622    HB1  ALA  85           HB1      ALA  85 -18.414   0.636  -1.901
  623    HB2  ALA  85           HB2      ALA  85 -19.061  -0.676  -2.890
  624    HB3  ALA  85           HB3      ALA  85 -17.566  -0.910  -1.991
  625    H    ALA  86           HN       ALA  86 -21.443  -2.184  -0.559
  626    HA   ALA  86           HA       ALA  86 -20.232  -4.803  -0.342
  627    HB1  ALA  86           HB1      ALA  86 -22.015  -4.203   1.229
  628    HB2  ALA  86           HB2      ALA  86 -22.472  -5.590   0.239
  629    HB3  ALA  86           HB3      ALA  86 -23.137  -3.998  -0.120
  630   H28A  SXR 101          H28A      SXR  42   3.475  12.084  -4.410
  631   H28B  SXR 101          H28B      SXR  42   3.858  10.657  -3.441
  632   H30A  SXR 101          H30A      SXR  42   1.788  13.838  -1.544
  633   H30B  SXR 101          H30B      SXR  42   2.392  14.060  -3.190
  634   H30C  SXR 101          H30C      SXR  42   3.531  13.836  -1.855
  635   H31A  SXR 101          H31A      SXR  42   0.477  12.460  -2.928
  636   H31B  SXR 101          H31B      SXR  42   0.846  10.754  -2.671
  637   H31C  SXR 101          H31C      SXR  42   1.334  11.544  -4.174
  638   H32A  SXR 101          H32A      SXR  42   3.652  11.588  -0.615
  639   H33A  SXR 101          H33A      SXR  42   1.893   9.603  -0.956
  640   H36A  SXR 101          H36A      SXR  42   2.399  13.110   0.695
  641   H37A  SXR 101          H37A      SXR  42  -0.343  12.252   1.416
  642   H37B  SXR 101          H37B      SXR  42   0.869  12.573   2.645
  643   H38A  SXR 101          H38A      SXR  42  -0.622  14.468   2.436
  644   H38B  SXR 101          H38B      SXR  42   1.003  14.911   1.934
  645   H41A  SXR 101          H41A      SXR  42  -0.473  13.018  -0.395
  646   H42A  SXR 101          H42A      SXR  42  -1.381  15.297  -2.039
  647   H42B  SXR 101          H42B      SXR  42  -0.425  13.983  -2.631
  648   H43A  SXR 101          H43A      SXR  42  -3.267  13.738  -1.722
  649   H43B  SXR 101          H43B      SXR  42  -2.164  12.385  -1.968
  650   H11A  SXR 101          H11A      SXR  42  -3.749   6.416  -2.527
  651   H10A  SXR 101          H10A      SXR  42  -3.080   6.084  -0.161
  652    H9A  SXR 101           H9A      SXR  42  -0.818   6.759   0.585
  653    H8A  SXR 101           H8A      SXR  42   0.771   7.766  -1.022
  654    H7A  SXR 101           H7A      SXR  42   0.098   8.097  -3.377
  655    H5A  SXR 101           H5A      SXR  42  -2.210   6.768  -5.343
  656    H5B  SXR 101           H5B      SXR  42  -3.265   7.100  -4.315
  657    H4A  SXR 101           H4A      SXR  42  -1.480   9.603  -4.770
  658    H4B  SXR 101           H4B      SXR  42  -1.898   8.698  -5.911
  659    H2A  SXR 101           H2A      SXR  42  -4.558  11.719  -4.942
  660    H2B  SXR 101           H2B      SXR  42  -4.397  10.899  -3.709
  661    H1A  SXR 101           H1A      SXR  42  -1.555  11.283  -3.913
  662    H1B  SXR 101           H1B      SXR  42  -2.150  11.606  -5.280
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1 -19.673  -9.671  -0.733
    2    H2   MET   1           HT2      MET   1 -18.221  -9.527  -1.617
    3    H3   MET   1           HT3      MET   1 -19.091  -8.158  -1.220
    4    HA   MET   1           HA       MET   1 -18.643  -8.327   1.048
    5    HB2  MET   1           HB2      MET   1 -17.201 -10.034   1.976
    6    HB3  MET   1           HB1      MET   1 -18.511 -10.853   1.144
    7    HG2  MET   1           HG2      MET   1 -17.041 -11.289  -0.765
    8    HG3  MET   1           HG1      MET   1 -15.740 -10.420   0.036
    9    HE1  MET   1           HE1      MET   1 -14.078 -12.406  -0.311
   10    HE2  MET   1           HE2      MET   1 -15.333 -13.300  -1.168
   11    HE3  MET   1           HE3      MET   1 -14.426 -14.079   0.127
   12    H    ALA   2           HN       ALA   2 -16.604  -7.469   1.882
   13    HA   ALA   2           HA       ALA   2 -15.110  -6.142  -0.121
   14    HB1  ALA   2           HB1      ALA   2 -14.532  -6.543   2.818
   15    HB2  ALA   2           HB2      ALA   2 -15.448  -5.209   2.117
   16    HB3  ALA   2           HB3      ALA   2 -13.732  -5.377   1.764
   17    H    THR   3           HN       THR   3 -13.361  -6.861  -1.201
   18    HA   THR   3           HA       THR   3 -12.297  -9.479  -0.578
   19    HB   THR   3           HB       THR   3 -11.602  -7.573  -2.838
   20    HG1  THR   3           HG1      THR   3 -13.862  -8.936  -2.308
   21   HG21  THR   3          HG21      THR   3 -10.904  -9.635  -3.996
   22   HG22  THR   3          HG22      THR   3 -11.325 -10.587  -2.576
   23   HG23  THR   3          HG23      THR   3  -9.997  -9.429  -2.502
   24    H    LEU   4           HN       LEU   4 -11.176  -9.036   1.333
   25    HA   LEU   4           HA       LEU   4  -9.397  -6.837   1.611
   26    HB2  LEU   4           HB2      LEU   4  -9.908  -9.260   3.309
   27    HB3  LEU   4           HB1      LEU   4  -8.587  -8.182   3.663
   28    HG   LEU   4           HG       LEU   4 -10.235  -6.331   3.972
   29   HD11  LEU   4          HD11      LEU   4 -12.055  -7.182   2.619
   30   HD12  LEU   4          HD12      LEU   4 -12.571  -6.844   4.268
   31   HD13  LEU   4          HD13      LEU   4 -12.285  -8.511   3.758
   32   HD21  LEU   4          HD21      LEU   4 -10.638  -8.766   5.695
   33   HD22  LEU   4          HD22      LEU   4 -11.064  -7.104   6.126
   34   HD23  LEU   4          HD23      LEU   4  -9.373  -7.544   5.862
   35    H    LEU   5           HN       LEU   5  -7.579  -6.665   0.636
   36    HA   LEU   5           HA       LEU   5  -5.974  -8.800  -0.257
   37    HB2  LEU   5           HB2      LEU   5  -4.210  -7.233  -0.665
   38    HB3  LEU   5           HB1      LEU   5  -5.702  -6.441  -1.108
   39    HG   LEU   5           HG       LEU   5  -4.235  -5.920   1.486
   40   HD11  LEU   5          HD11      LEU   5  -2.816  -5.362  -0.417
   41   HD12  LEU   5          HD12      LEU   5  -3.379  -3.904   0.400
   42   HD13  LEU   5          HD13      LEU   5  -4.117  -4.404  -1.118
   43   HD21  LEU   5          HD21      LEU   5  -6.398  -4.451   0.000
   44   HD22  LEU   5          HD22      LEU   5  -5.492  -3.791   1.351
   45   HD23  LEU   5          HD23      LEU   5  -6.523  -5.186   1.611
   46    H    THR   6           HN       THR   6  -4.200  -9.739   0.681
   47    HA   THR   6           HA       THR   6  -4.306  -9.711   3.562
   48    HB   THR   6           HB       THR   6  -2.746 -11.641   3.393
   49    HG1  THR   6           HG1      THR   6  -3.086 -11.340   0.560
   50   HG21  THR   6          HG21      THR   6  -5.161 -12.043   3.333
   51   HG22  THR   6          HG22      THR   6  -4.315 -13.199   2.305
   52   HG23  THR   6          HG23      THR   6  -5.171 -11.834   1.584
   53    H    THR   7           HN       THR   7  -1.931 -10.078   4.524
   54    HA   THR   7           HA       THR   7  -0.590  -7.617   4.156
   55    HB   THR   7           HB       THR   7   0.527 -10.062   5.568
   56    HG1  THR   7           HG1      THR   7  -0.621  -8.978   7.417
   57   HG21  THR   7          HG21      THR   7   2.009  -8.107   5.385
   58   HG22  THR   7          HG22      THR   7   1.495  -8.329   7.060
   59   HG23  THR   7          HG23      THR   7   0.746  -7.084   6.053
   60    H    ASP   8           HN       ASP   8  -0.371 -10.796   2.849
   61    HA   ASP   8           HA       ASP   8   2.240 -10.582   1.705
   62    HB2  ASP   8           HB2      ASP   8  -0.052 -12.483   1.260
   63    HB3  ASP   8           HB1      ASP   8   1.367 -12.509   0.226
   64    H    ASP   9           HN       ASP   9  -1.031 -10.065   0.596
   65    HA   ASP   9           HA       ASP   9  -0.417  -9.513  -2.094
   66    HB2  ASP   9           HB2      ASP   9  -2.704  -8.501  -0.401
   67    HB3  ASP   9           HB1      ASP   9  -2.596  -8.189  -2.119
   68    H    LEU  10           HN       LEU  10  -0.781  -7.377   0.689
   69    HA   LEU  10           HA       LEU  10  -0.193  -4.980  -0.681
   70    HB2  LEU  10           HB2      LEU  10  -1.266  -5.032   1.538
   71    HB3  LEU  10           HB1      LEU  10   0.216  -5.636   2.246
   72    HG   LEU  10           HG       LEU  10   1.345  -3.508   1.670
   73   HD11  LEU  10          HD11      LEU  10   0.033  -1.589   0.927
   74   HD12  LEU  10          HD12      LEU  10  -1.386  -2.624   0.762
   75   HD13  LEU  10          HD13      LEU  10   0.017  -2.886  -0.271
   76   HD21  LEU  10          HD21      LEU  10   0.319  -3.794   3.871
   77   HD22  LEU  10          HD22      LEU  10  -1.202  -3.156   3.244
   78   HD23  LEU  10          HD23      LEU  10   0.220  -2.121   3.331
   79    H    ARG  11           HN       ARG  11   1.839  -7.217   1.166
   80    HA   ARG  11           HA       ARG  11   4.276  -5.923   0.905
   81    HB2  ARG  11           HB2      ARG  11   4.179  -7.765   2.404
   82    HB3  ARG  11           HB1      ARG  11   3.578  -8.847   1.163
   83    HG2  ARG  11           HG2      ARG  11   5.699  -9.035   0.161
   84    HG3  ARG  11           HG1      ARG  11   6.344  -7.673   1.089
   85    HD2  ARG  11           HD2      ARG  11   7.075  -9.945   1.868
   86    HD3  ARG  11           HD1      ARG  11   6.332  -8.936   3.098
   87    HE   ARG  11           HE       ARG  11   4.245 -10.323   2.454
   88   HH11  ARG  11          HH11      ARG  11   7.547 -11.675   2.441
   89   HH12  ARG  11          HH12      ARG  11   7.030 -13.165   3.123
   90   HH21  ARG  11          HH21      ARG  11   3.621 -12.475   3.387
   91   HH22  ARG  11          HH22      ARG  11   4.842 -13.612   3.624
   92    H    ARG  12           HN       ARG  12   2.778  -8.242  -1.314
   93    HA   ARG  12           HA       ARG  12   4.910  -8.249  -3.131
   94    HB2  ARG  12           HB2      ARG  12   2.016  -8.886  -3.527
   95    HB3  ARG  12           HB1      ARG  12   3.201  -9.000  -4.816
   96    HG2  ARG  12           HG2      ARG  12   3.101 -10.570  -2.264
   97    HG3  ARG  12           HG1      ARG  12   2.892 -11.153  -3.919
   98    HD2  ARG  12           HD2      ARG  12   5.415 -10.172  -2.602
   99    HD3  ARG  12           HD1      ARG  12   5.057 -11.771  -3.236
  100    HE   ARG  12           HE       ARG  12   5.185  -9.475  -5.083
  101   HH11  ARG  12          HH11      ARG  12   6.444 -12.635  -4.075
  102   HH12  ARG  12          HH12      ARG  12   7.504 -12.774  -5.391
  103   HH21  ARG  12          HH21      ARG  12   6.725  -9.621  -6.864
  104   HH22  ARG  12          HH22      ARG  12   7.689 -11.029  -6.966
  105    H    ALA  13           HN       ALA  13   1.941  -6.342  -3.090
  106    HA   ALA  13           HA       ALA  13   2.346  -5.089  -5.565
  107    HB1  ALA  13           HB1      ALA  13   0.867  -4.017  -3.165
  108    HB2  ALA  13           HB2      ALA  13   0.198  -5.095  -4.392
  109    HB3  ALA  13           HB3      ALA  13   0.687  -3.457  -4.831
  110    H    LEU  14           HN       LEU  14   3.324  -4.169  -2.318
  111    HA   LEU  14           HA       LEU  14   4.382  -1.649  -2.925
  112    HB2  LEU  14           HB2      LEU  14   3.829  -2.772  -0.651
  113    HB3  LEU  14           HB1      LEU  14   5.409  -3.501  -0.781
  114    HG   LEU  14           HG       LEU  14   6.404  -1.211  -0.826
  115   HD11  LEU  14          HD11      LEU  14   4.475   0.029  -1.657
  116   HD12  LEU  14          HD12      LEU  14   5.010   0.689  -0.120
  117   HD13  LEU  14          HD13      LEU  14   3.579  -0.336  -0.185
  118   HD21  LEU  14          HD21      LEU  14   4.687  -1.868   1.566
  119   HD22  LEU  14          HD22      LEU  14   6.070  -0.779   1.560
  120   HD23  LEU  14          HD23      LEU  14   6.302  -2.497   1.239
  121    H    VAL  15           HN       VAL  15   5.839  -4.883  -2.848
  122    HA   VAL  15           HA       VAL  15   8.462  -4.046  -3.541
  123    HB   VAL  15           HB       VAL  15   7.178  -6.799  -3.804
  124   HG11  VAL  15          HG11      VAL  15   9.449  -7.694  -4.008
  125   HG12  VAL  15          HG12      VAL  15  10.099  -6.056  -4.045
  126   HG13  VAL  15          HG13      VAL  15   9.067  -6.623  -5.358
  127   HG21  VAL  15          HG21      VAL  15   8.486  -7.319  -1.804
  128   HG22  VAL  15          HG22      VAL  15   7.369  -5.982  -1.519
  129   HG23  VAL  15          HG23      VAL  15   9.083  -5.660  -1.764
  130    H    GLU  16           HN       GLU  16   5.696  -5.096  -5.489
  131    HA   GLU  16           HA       GLU  16   7.011  -5.260  -7.969
  132    HB2  GLU  16           HB2      GLU  16   4.131  -4.453  -7.475
  133    HB3  GLU  16           HB1      GLU  16   4.797  -4.962  -9.012
  134    HG2  GLU  16           HG2      GLU  16   4.500  -6.648  -6.541
  135    HG3  GLU  16           HG1      GLU  16   3.536  -6.757  -8.005
  136    H    SER  17           HN       SER  17   5.544  -2.510  -6.314
  137    HA   SER  17           HA       SER  17   5.968  -0.681  -8.409
  138    HB2  SER  17           HB2      SER  17   5.589  -0.229  -5.465
  139    HB3  SER  17           HB1      SER  17   5.408   0.986  -6.742
  140    HG   SER  17           HG       SER  17   3.860  -0.448  -7.668
  141    H    ALA  18           HN       ALA  18   7.909  -1.651  -5.638
  142    HA   ALA  18           HA       ALA  18   9.845   0.433  -5.966
  143    HB1  ALA  18           HB1      ALA  18  10.133  -2.194  -4.508
  144    HB2  ALA  18           HB2      ALA  18   9.539  -0.692  -3.808
  145    HB3  ALA  18           HB3      ALA  18  11.204  -0.803  -4.362
  146    H    GLY  19           HN       GLY  19   9.668  -2.954  -6.941
  147    HA2  GLY  19           HA2      GLY  19  10.607  -3.969  -8.793
  148    HA3  GLY  19           HA1      GLY  19  11.405  -2.451  -9.194
  149    H    GLU  20           HN       GLU  20  12.930  -1.884  -7.263
  150    HA   GLU  20           HA       GLU  20  15.219  -3.525  -7.458
  151    HB2  GLU  20           HB2      GLU  20  14.554  -1.337  -5.498
  152    HB3  GLU  20           HB1      GLU  20  16.140  -2.031  -5.747
  153    HG2  GLU  20           HG2      GLU  20  14.556  -0.546  -7.815
  154    HG3  GLU  20           HG1      GLU  20  15.851   0.138  -6.830
  155    H    THR  21           HN       THR  21  16.080  -5.018  -6.046
  156    HA   THR  21           HA       THR  21  14.591  -5.491  -3.615
  157    HB   THR  21           HB       THR  21  15.289  -7.555  -4.899
  158    HG1  THR  21           HG1      THR  21  15.817  -8.676  -3.121
  159   HG21  THR  21          HG21      THR  21  18.099  -6.649  -4.227
  160   HG22  THR  21          HG22      THR  21  17.401  -6.744  -5.845
  161   HG23  THR  21          HG23      THR  21  17.674  -8.216  -4.917
  162    H    ASP  22           HN       ASP  22  16.452  -5.959  -1.723
  163    HA   ASP  22           HA       ASP  22  17.687  -4.813  -0.164
  164    HB2  ASP  22           HB2      ASP  22  19.626  -4.891  -1.632
  165    HB3  ASP  22           HB1      ASP  22  18.995  -3.581  -2.620
  166    H    GLY  23           HN       GLY  23  16.427  -3.601   1.050
  167    HA2  GLY  23           HA2      GLY  23  15.856  -1.280   1.604
  168    HA3  GLY  23           HA1      GLY  23  15.483  -1.056  -0.114
  169    H    THR  24           HN       THR  24  14.344  -3.490  -0.649
  170    HA   THR  24           HA       THR  24  11.728  -3.200   0.395
  171    HB   THR  24           HB       THR  24  11.599  -5.414  -1.103
  172    HG1  THR  24           HG1      THR  24  13.313  -4.605  -2.838
  173   HG21  THR  24          HG21      THR  24  10.471  -3.298  -1.600
  174   HG22  THR  24          HG22      THR  24  11.214  -3.974  -3.056
  175   HG23  THR  24          HG23      THR  24  11.988  -2.632  -2.211
  176    H    ASP  25           HN       ASP  25  13.245  -3.604   2.430
  177    HA   ASP  25           HA       ASP  25  13.589  -6.353   3.277
  178    HB2  ASP  25           HB2      ASP  25  14.172  -3.662   4.525
  179    HB3  ASP  25           HB1      ASP  25  14.339  -5.159   5.432
  180    H    LEU  26           HN       LEU  26  11.017  -5.380   2.691
  181    HA   LEU  26           HA       LEU  26   9.589  -5.302   5.230
  182    HB2  LEU  26           HB2      LEU  26   7.622  -4.861   3.799
  183    HB3  LEU  26           HB1      LEU  26   8.902  -3.685   3.584
  184    HG   LEU  26           HG       LEU  26   9.170  -5.757   1.607
  185   HD11  LEU  26          HD11      LEU  26   7.080  -5.341   0.396
  186   HD12  LEU  26          HD12      LEU  26   6.484  -4.389   1.764
  187   HD13  LEU  26          HD13      LEU  26   6.786  -6.113   1.952
  188   HD21  LEU  26          HD21      LEU  26   9.005  -3.838   0.107
  189   HD22  LEU  26          HD22      LEU  26  10.074  -3.486   1.465
  190   HD23  LEU  26          HD23      LEU  26   8.432  -2.836   1.446
  191    H    SER  27           HN       SER  27  11.017  -7.609   4.477
  192    HA   SER  27           HA       SER  27   9.220  -9.542   3.364
  193    HB2  SER  27           HB2      SER  27  11.698  -9.579   2.982
  194    HB3  SER  27           HB1      SER  27  11.913  -9.978   4.689
  195    HG   SER  27           HG       SER  27  11.561 -11.955   4.184
  196    H    GLY  28           HN       GLY  28   7.507  -9.557   4.754
  197    HA2  GLY  28           HA2      GLY  28   6.657 -11.146   6.442
  198    HA3  GLY  28           HA1      GLY  28   8.021 -10.618   7.439
  199    H    ASP  29           HN       ASP  29   7.680  -9.022   8.792
  200    HA   ASP  29           HA       ASP  29   5.246  -7.483   8.505
  201    HB2  ASP  29           HB2      ASP  29   5.653  -8.152  10.756
  202    HB3  ASP  29           HB1      ASP  29   7.306  -7.535  10.706
  203    H    PHE  30           HN       PHE  30   5.084  -5.452   7.982
  204    HA   PHE  30           HA       PHE  30   7.310  -3.694   7.935
  205    HB2  PHE  30           HB2      PHE  30   6.898  -3.002   5.642
  206    HB3  PHE  30           HB1      PHE  30   7.376  -4.679   5.704
  207    HD1  PHE  30           HD1      PHE  30   5.536  -6.474   5.559
  208    HD2  PHE  30           HD2      PHE  30   4.904  -2.403   4.515
  209    HE1  PHE  30           HE1      PHE  30   3.569  -7.121   4.246
  210    HE2  PHE  30           HE2      PHE  30   2.929  -3.045   3.207
  211    HZ   PHE  30           HZ       PHE  30   2.261  -5.405   3.073
  212    H    LEU  31           HN       LEU  31   4.554  -4.375   9.192
  213    HA   LEU  31           HA       LEU  31   2.970  -2.170   8.260
  214    HB2  LEU  31           HB2      LEU  31   2.433  -4.210  10.413
  215    HB3  LEU  31           HB1      LEU  31   1.289  -3.004   9.864
  216    HG   LEU  31           HG       LEU  31   2.386  -5.303   8.237
  217   HD11  LEU  31          HD11      LEU  31  -0.372  -4.743   9.290
  218   HD12  LEU  31          HD12      LEU  31   0.750  -5.970   9.883
  219   HD13  LEU  31          HD13      LEU  31   0.090  -6.090   8.249
  220   HD21  LEU  31          HD21      LEU  31   2.048  -3.342   6.816
  221   HD22  LEU  31          HD22      LEU  31   0.415  -3.156   7.455
  222   HD23  LEU  31          HD23      LEU  31   0.830  -4.575   6.490
  223    H    ASP  32           HN       ASP  32   5.095  -2.962  10.909
  224    HA   ASP  32           HA       ASP  32   4.429  -0.426  12.217
  225    HB2  ASP  32           HB2      ASP  32   4.820  -2.417  13.669
  226    HB3  ASP  32           HB1      ASP  32   6.460  -2.538  13.038
  227    H    LEU  33           HN       LEU  33   6.217  -1.493   9.773
  228    HA   LEU  33           HA       LEU  33   8.581   0.117  10.083
  229    HB2  LEU  33           HB2      LEU  33   7.427  -1.524   7.862
  230    HB3  LEU  33           HB1      LEU  33   8.901  -0.662   7.585
  231    HG   LEU  33           HG       LEU  33   8.378  -3.021   9.369
  232   HD11  LEU  33          HD11      LEU  33  10.227  -3.996   8.108
  233   HD12  LEU  33          HD12      LEU  33  10.364  -2.510   7.163
  234   HD13  LEU  33          HD13      LEU  33   8.906  -3.495   7.060
  235   HD21  LEU  33          HD21      LEU  33  10.821  -1.282   9.352
  236   HD22  LEU  33          HD22      LEU  33  10.674  -2.850  10.159
  237   HD23  LEU  33          HD23      LEU  33   9.689  -1.486  10.702
  238    H    ARG  34           HN       ARG  34   9.094   1.739   8.329
  239    HA   ARG  34           HA       ARG  34   6.669   3.317   7.712
  240    HB2  ARG  34           HB2      ARG  34   9.500   4.287   8.204
  241    HB3  ARG  34           HB1      ARG  34   8.167   5.296   7.687
  242    HG2  ARG  34           HG2      ARG  34   7.028   4.918   9.780
  243    HG3  ARG  34           HG1      ARG  34   8.286   3.785  10.280
  244    HD2  ARG  34           HD2      ARG  34   8.554   6.069  11.249
  245    HD3  ARG  34           HD1      ARG  34   9.941   5.520  10.308
  246    HE   ARG  34           HE       ARG  34   8.033   7.044   8.806
  247   HH11  ARG  34          HH11      ARG  34  10.628   7.443  11.142
  248   HH12  ARG  34          HH12      ARG  34  11.315   8.838  10.472
  249   HH21  ARG  34          HH21      ARG  34   8.894   9.043   7.819
  250   HH22  ARG  34          HH22      ARG  34  10.251   9.809   8.501
  251    H    PHE  35           HN       PHE  35   6.800   4.568   5.681
  252    HA   PHE  35           HA       PHE  35   7.678   2.890   3.566
  253    HB2  PHE  35           HB2      PHE  35   6.689   5.744   3.494
  254    HB3  PHE  35           HB1      PHE  35   6.918   4.719   2.084
  255    HD1  PHE  35           HD2      PHE  35   5.565   2.531   2.024
  256    HD2  PHE  35           HD1      PHE  35   4.647   5.806   4.585
  257    HE1  PHE  35           HE2      PHE  35   3.257   1.708   2.261
  258    HE2  PHE  35           HE1      PHE  35   2.358   4.988   4.819
  259    HZ   PHE  35           HZ       PHE  35   1.656   2.950   3.668
  260    H    GLU  36           HN       GLU  36   8.697   6.019   4.799
  261    HA   GLU  36           HA       GLU  36  10.852   6.405   3.011
  262    HB2  GLU  36           HB2      GLU  36  10.755   7.541   5.803
  263    HB3  GLU  36           HB1      GLU  36  11.466   8.253   4.364
  264    HG2  GLU  36           HG2      GLU  36   9.587   9.537   4.550
  265    HG3  GLU  36           HG1      GLU  36   8.956   8.242   3.538
  266    H    ASP  37           HN       ASP  37  10.466   4.766   5.996
  267    HA   ASP  37           HA       ASP  37  13.168   4.436   6.790
  268    HB2  ASP  37           HB2      ASP  37  11.341   4.201   8.369
  269    HB3  ASP  37           HB1      ASP  37  10.657   2.910   7.399
  270    H    ILE  38           HN       ILE  38  11.012   2.585   4.706
  271    HA   ILE  38           HA       ILE  38  13.151   0.677   4.265
  272    HB   ILE  38           HB       ILE  38  11.488  -0.644   2.921
  273   HG12  ILE  38          HG12      ILE  38   9.536   1.411   4.003
  274   HG13  ILE  38          HG11      ILE  38   9.964   1.187   2.316
  275   HG21  ILE  38          HG21      ILE  38  11.972  -1.212   5.213
  276   HG22  ILE  38          HG22      ILE  38  10.255  -1.472   4.878
  277   HG23  ILE  38          HG23      ILE  38  10.771  -0.054   5.785
  278   HD11  ILE  38          HD11      ILE  38   8.517  -0.800   4.059
  279   HD12  ILE  38          HD12      ILE  38   8.931  -1.030   2.355
  280   HD13  ILE  38          HD13      ILE  38   7.791   0.231   2.826
  281    H    GLY  39           HN       GLY  39  13.003   3.472   3.236
  282    HA2  GLY  39           HA2      GLY  39  14.024   4.527   1.455
  283    HA3  GLY  39           HA1      GLY  39  14.457   2.942   0.857
  284    H    TYR  40           HN       TYR  40  11.167   4.128   1.352
  285    HA   TYR  40           HA       TYR  40  10.763   3.829  -1.515
  286    HB2  TYR  40           HB2      TYR  40   8.896   3.725   0.815
  287    HB3  TYR  40           HB1      TYR  40   8.290   4.171  -0.767
  288    HD1  TYR  40           HD2      TYR  40  10.678   1.560   0.484
  289    HD2  TYR  40           HD1      TYR  40   7.218   2.493  -1.795
  290    HE1  TYR  40           HE2      TYR  40  10.464  -0.806  -0.135
  291    HE2  TYR  40           HE1      TYR  40   6.986   0.171  -2.429
  292    HH   TYR  40           HH       TYR  40   8.212  -1.826  -2.565
  293    H    ASP  41           HN       ASP  41  10.455   5.430  -2.797
  294    HA   ASP  41           HA       ASP  41  10.107   8.103  -1.692
  295    HB2  ASP  41           HB2      ASP  41  10.155   7.330  -4.628
  296    HB3  ASP  41           HB1      ASP  41  10.318   8.919  -3.946
  297    H    SER  42           HN       SER  42   8.388   9.398  -3.014
  298    HA   SER  42           HA       SER  42   5.923   8.225  -2.325
  299    HB2  SER  42           HB2      SER  42   5.222  10.386  -3.835
  300    HB3  SER  42           HB1      SER  42   5.572  10.399  -2.104
  301    H    LEU  43           HN       LEU  43   7.616   8.556  -5.353
  302    HA   LEU  43           HA       LEU  43   5.579   7.887  -7.119
  303    HB2  LEU  43           HB2      LEU  43   7.772   8.655  -7.856
  304    HB3  LEU  43           HB1      LEU  43   8.500   7.168  -7.280
  305    HG   LEU  43           HG       LEU  43   7.285   5.894  -8.982
  306   HD11  LEU  43          HD11      LEU  43   5.304   7.283  -9.163
  307   HD12  LEU  43          HD12      LEU  43   6.050   7.041 -10.743
  308   HD13  LEU  43          HD13      LEU  43   6.256   8.575  -9.895
  309   HD21  LEU  43          HD21      LEU  43   8.484   6.723 -10.924
  310   HD22  LEU  43          HD22      LEU  43   9.499   6.789  -9.483
  311   HD23  LEU  43          HD23      LEU  43   8.766   8.262 -10.108
  312    H    ALA  44           HN       ALA  44   7.858   5.736  -5.505
  313    HA   ALA  44           HA       ALA  44   6.757   3.334  -6.515
  314    HB1  ALA  44           HB1      ALA  44   9.034   3.470  -5.583
  315    HB2  ALA  44           HB2      ALA  44   8.082   2.225  -4.779
  316    HB3  ALA  44           HB3      ALA  44   8.355   3.773  -3.980
  317    H    LEU  45           HN       LEU  45   6.168   5.225  -3.641
  318    HA   LEU  45           HA       LEU  45   4.502   3.403  -2.301
  319    HB2  LEU  45           HB2      LEU  45   5.728   5.506  -1.466
  320    HB3  LEU  45           HB1      LEU  45   4.372   6.405  -2.113
  321    HG   LEU  45           HG       LEU  45   4.190   4.349   0.094
  322   HD11  LEU  45          HD11      LEU  45   4.248   7.347   0.209
  323   HD12  LEU  45          HD12      LEU  45   5.505   6.220   0.743
  324   HD13  LEU  45          HD13      LEU  45   3.946   6.256   1.570
  325   HD21  LEU  45          HD21      LEU  45   2.077   4.633  -1.109
  326   HD22  LEU  45          HD22      LEU  45   2.204   6.383  -0.900
  327   HD23  LEU  45          HD23      LEU  45   1.979   5.343   0.508
  328    H    MET  46           HN       MET  46   3.664   6.250  -4.383
  329    HA   MET  46           HA       MET  46   0.893   5.665  -4.203
  330    HB2  MET  46           HB2      MET  46   2.398   7.518  -6.050
  331    HB3  MET  46           HB1      MET  46   0.647   7.385  -6.032
  332    HG2  MET  46           HG2      MET  46   0.625   8.057  -3.672
  333    HG3  MET  46           HG1      MET  46   2.378   8.222  -3.717
  334    HE1  MET  46           HE1      MET  46   1.092  11.927  -3.475
  335    HE2  MET  46           HE2      MET  46   2.097  10.684  -2.722
  336    HE3  MET  46           HE3      MET  46   0.342  10.511  -2.733
  337    H    GLU  47           HN       GLU  47   3.373   4.506  -6.262
  338    HA   GLU  47           HA       GLU  47   1.814   3.625  -8.452
  339    HB2  GLU  47           HB2      GLU  47   4.419   3.771  -8.065
  340    HB3  GLU  47           HB1      GLU  47   4.243   2.167  -7.395
  341    HG2  GLU  47           HG2      GLU  47   3.544   2.966 -10.222
  342    HG3  GLU  47           HG1      GLU  47   5.020   2.157  -9.726
  343    H    THR  48           HN       THR  48   2.784   2.111  -5.380
  344    HA   THR  48           HA       THR  48   1.542  -0.366  -5.658
  345    HB   THR  48           HB       THR  48   2.044   1.280  -3.167
  346    HG1  THR  48           HG1      THR  48   3.631  -0.114  -4.905
  347   HG21  THR  48          HG21      THR  48   2.060  -0.885  -1.983
  348   HG22  THR  48          HG22      THR  48   1.613  -1.696  -3.486
  349   HG23  THR  48          HG23      THR  48   0.488  -0.567  -2.727
  350    H    ALA  49           HN       ALA  49   0.337   2.683  -4.375
  351    HA   ALA  49           HA       ALA  49  -2.175   1.797  -3.497
  352    HB1  ALA  49           HB1      ALA  49  -2.833   4.141  -3.589
  353    HB2  ALA  49           HB2      ALA  49  -1.390   4.512  -4.535
  354    HB3  ALA  49           HB3      ALA  49  -1.236   3.952  -2.867
  355    H    ALA  50           HN       ALA  50  -1.120   3.100  -6.616
  356    HA   ALA  50           HA       ALA  50  -3.593   3.148  -7.913
  357    HB1  ALA  50           HB1      ALA  50  -1.580   4.253  -8.784
  358    HB2  ALA  50           HB2      ALA  50  -2.324   3.212  -9.992
  359    HB3  ALA  50           HB3      ALA  50  -0.870   2.680  -9.148
  360    H    ARG  51           HN       ARG  51  -1.298   0.551  -7.452
  361    HA   ARG  51           HA       ARG  51  -2.390  -1.417  -9.171
  362    HB2  ARG  51           HB2      ARG  51  -1.107  -1.843  -6.467
  363    HB3  ARG  51           HB1      ARG  51  -1.343  -3.064  -7.700
  364    HG2  ARG  51           HG2      ARG  51   0.399  -0.644  -7.989
  365    HG3  ARG  51           HG1      ARG  51   0.956  -2.260  -7.543
  366    HD2  ARG  51           HD2      ARG  51   0.089  -3.111  -9.685
  367    HD3  ARG  51           HD1      ARG  51  -0.362  -1.463 -10.128
  368    HE   ARG  51           HE       ARG  51   2.017  -0.914  -9.814
  369   HH11  ARG  51          HH11      ARG  51   1.050  -4.203 -10.804
  370   HH12  ARG  51          HH12      ARG  51   2.574  -4.567 -11.469
  371   HH21  ARG  51          HH21      ARG  51   4.009  -1.442 -10.573
  372   HH22  ARG  51          HH22      ARG  51   4.393  -2.949 -11.314
  373    H    LEU  52           HN       LEU  52  -2.978  -0.616  -5.816
  374    HA   LEU  52           HA       LEU  52  -4.762  -2.733  -5.291
  375    HB2  LEU  52           HB2      LEU  52  -4.447  -0.135  -3.798
  376    HB3  LEU  52           HB1      LEU  52  -5.239  -1.582  -3.194
  377    HG   LEU  52           HG       LEU  52  -2.313  -1.229  -3.814
  378   HD11  LEU  52          HD11      LEU  52  -3.758  -1.625  -1.209
  379   HD12  LEU  52          HD12      LEU  52  -2.980  -0.141  -1.770
  380   HD13  LEU  52          HD13      LEU  52  -2.007  -1.566  -1.419
  381   HD21  LEU  52          HD21      LEU  52  -3.771  -3.670  -2.801
  382   HD22  LEU  52          HD22      LEU  52  -2.018  -3.511  -2.929
  383   HD23  LEU  52          HD23      LEU  52  -3.013  -3.499  -4.384
  384    H    GLU  53           HN       GLU  53  -5.277   0.695  -6.063
  385    HA   GLU  53           HA       GLU  53  -8.060   0.734  -5.796
  386    HB2  GLU  53           HB2      GLU  53  -6.331   2.292  -7.714
  387    HB3  GLU  53           HB1      GLU  53  -8.010   2.656  -7.357
  388    HG2  GLU  53           HG2      GLU  53  -7.343   3.112  -5.018
  389    HG3  GLU  53           HG1      GLU  53  -5.662   2.836  -5.496
  390    H    SER  54           HN       SER  54  -6.101   0.156  -8.707
  391    HA   SER  54           HA       SER  54  -8.360  -0.167 -10.345
  392    HB2  SER  54           HB2      SER  54  -6.660  -1.084 -11.978
  393    HB3  SER  54           HB1      SER  54  -6.325   0.532 -11.355
  394    HG   SER  54           HG       SER  54  -4.671  -0.222 -10.209
  395    H    ARG  55           HN       ARG  55  -6.210  -2.523  -8.798
  396    HA   ARG  55           HA       ARG  55  -7.285  -4.833  -9.977
  397    HB2  ARG  55           HB2      ARG  55  -5.100  -4.760  -8.874
  398    HB3  ARG  55           HB1      ARG  55  -5.894  -4.563  -7.321
  399    HG2  ARG  55           HG2      ARG  55  -6.918  -6.779  -7.573
  400    HG3  ARG  55           HG1      ARG  55  -6.083  -6.977  -9.115
  401    HD2  ARG  55           HD2      ARG  55  -4.798  -6.613  -6.405
  402    HD3  ARG  55           HD1      ARG  55  -4.869  -8.111  -7.318
  403    HE   ARG  55           HE       ARG  55  -3.674  -6.269  -8.978
  404   HH11  ARG  55          HH11      ARG  55  -2.928  -7.814  -5.884
  405   HH12  ARG  55          HH12      ARG  55  -1.239  -7.591  -5.996
  406   HH21  ARG  55          HH21      ARG  55  -1.320  -5.963  -9.161
  407   HH22  ARG  55          HH22      ARG  55  -0.312  -6.539  -7.924
  408    H    TYR  56           HN       TYR  56  -7.997  -3.366  -6.810
  409    HA   TYR  56           HA       TYR  56 -10.012  -5.408  -6.370
  410    HB2  TYR  56           HB2      TYR  56  -8.987  -3.230  -4.536
  411    HB3  TYR  56           HB1      TYR  56 -10.183  -4.445  -4.093
  412    HD1  TYR  56           HD1      TYR  56  -9.514  -6.837  -3.919
  413    HD2  TYR  56           HD2      TYR  56  -6.656  -3.770  -4.642
  414    HE1  TYR  56           HE1      TYR  56  -7.717  -8.357  -3.231
  415    HE2  TYR  56           HE2      TYR  56  -4.847  -5.293  -3.961
  416    HH   TYR  56           HH       TYR  56  -4.594  -7.293  -2.552
  417    H    GLY  57           HN       GLY  57  -9.876  -2.342  -7.660
  418    HA2  GLY  57           HA2      GLY  57 -11.594  -1.170  -8.632
  419    HA3  GLY  57           HA1      GLY  57 -12.743  -2.281  -7.892
  420    H    VAL  58           HN       VAL  58 -10.326  -0.017  -6.641
  421    HA   VAL  58           HA       VAL  58 -12.516   1.146  -5.092
  422    HB   VAL  58           HB       VAL  58 -11.285   1.446  -3.157
  423   HG11  VAL  58          HG11      VAL  58 -11.935  -0.875  -3.438
  424   HG12  VAL  58          HG12      VAL  58 -10.443  -0.725  -2.484
  425   HG13  VAL  58          HG13      VAL  58 -10.354  -1.167  -4.193
  426   HG21  VAL  58          HG21      VAL  58  -9.171   2.299  -4.032
  427   HG22  VAL  58          HG22      VAL  58  -8.697   0.664  -4.524
  428   HG23  VAL  58          HG23      VAL  58  -8.906   1.054  -2.815
  429    H    SER  59           HN       SER  59 -11.580   3.390  -4.119
  430    HA   SER  59           HA       SER  59  -9.920   4.761  -6.019
  431    HB2  SER  59           HB2      SER  59 -12.780   5.630  -5.449
  432    HB3  SER  59           HB1      SER  59 -11.599   6.538  -6.403
  433    HG   SER  59           HG       SER  59 -11.747   4.016  -7.275
  434    H    ILE  60           HN       ILE  60  -8.536   5.783  -4.757
  435    HA   ILE  60           HA       ILE  60  -9.375   6.446  -2.028
  436    HB   ILE  60           HB       ILE  60  -6.566   6.363  -3.166
  437   HG12  ILE  60          HG12      ILE  60  -7.948   4.282  -1.460
  438   HG13  ILE  60          HG11      ILE  60  -7.718   4.135  -3.200
  439   HG21  ILE  60          HG21      ILE  60  -5.899   6.329  -0.796
  440   HG22  ILE  60          HG22      ILE  60  -7.594   6.450  -0.325
  441   HG23  ILE  60          HG23      ILE  60  -6.823   7.781  -1.190
  442   HD11  ILE  60          HD11      ILE  60  -6.047   2.863  -1.974
  443   HD12  ILE  60          HD12      ILE  60  -5.533   4.326  -1.139
  444   HD13  ILE  60          HD13      ILE  60  -5.300   4.182  -2.881
  445    HA   PRO  61           HA       PRO  61  -9.552  10.659  -3.702
  446    HB2  PRO  61           HB2      PRO  61  -9.994  11.171  -0.797
  447    HB3  PRO  61           HB1      PRO  61 -10.906  11.765  -2.191
  448    HG2  PRO  61           HG2      PRO  61 -11.902   9.832  -0.666
  449    HG3  PRO  61           HG1      PRO  61 -12.072   9.759  -2.433
  450    HD2  PRO  61           HD2      PRO  61 -10.175   8.285  -0.652
  451    HD3  PRO  61           HD1      PRO  61 -11.070   7.708  -2.078
  452    H    ASP  62           HN       ASP  62  -8.069  12.176  -3.774
  453    HA   ASP  62           HA       ASP  62  -5.418  11.836  -3.085
  454    HB2  ASP  62           HB2      ASP  62  -6.317  13.375  -4.818
  455    HB3  ASP  62           HB1      ASP  62  -6.839  14.470  -3.552
  456    H    ASP  63           HN       ASP  63  -7.869  13.646  -1.305
  457    HA   ASP  63           HA       ASP  63  -6.240  14.640   0.788
  458    HB2  ASP  63           HB2      ASP  63  -8.382  15.604   0.701
  459    HB3  ASP  63           HB1      ASP  63  -9.186  14.043   0.634
  460    H    VAL  64           HN       VAL  64  -7.989  11.617   0.485
  461    HA   VAL  64           HA       VAL  64  -7.458  10.746   3.159
  462    HB   VAL  64           HB       VAL  64  -8.403   9.098   0.783
  463   HG11  VAL  64          HG11      VAL  64  -8.661   8.568   3.733
  464   HG12  VAL  64          HG12      VAL  64  -7.615   7.694   2.604
  465   HG13  VAL  64          HG13      VAL  64  -9.365   7.592   2.442
  466   HG21  VAL  64          HG21      VAL  64  -9.886  10.975   1.164
  467   HG22  VAL  64          HG22      VAL  64 -10.008  10.553   2.873
  468   HG23  VAL  64          HG23      VAL  64 -10.663   9.470   1.650
  469    H    ALA  65           HN       ALA  65  -5.786  10.639   0.214
  470    HA   ALA  65           HA       ALA  65  -4.019   8.469   0.655
  471    HB1  ALA  65           HB1      ALA  65  -3.588  10.995  -0.932
  472    HB2  ALA  65           HB2      ALA  65  -4.341   9.517  -1.528
  473    HB3  ALA  65           HB3      ALA  65  -2.648   9.506  -1.054
  474    H    GLY  66           HN       GLY  66  -4.015  11.806   1.698
  475    HA2  GLY  66           HA2      GLY  66  -1.288  11.573   2.708
  476    HA3  GLY  66           HA1      GLY  66  -2.277  13.025   2.714
  477    H    ARG  67           HN       ARG  67  -3.656  10.091   3.821
  478    HA   ARG  67           HA       ARG  67  -3.564  11.168   6.540
  479    HB2  ARG  67           HB2      ARG  67  -5.603   9.313   5.319
  480    HB3  ARG  67           HB1      ARG  67  -5.599   9.850   6.995
  481    HG2  ARG  67           HG2      ARG  67  -5.810  12.191   6.188
  482    HG3  ARG  67           HG1      ARG  67  -5.945  11.566   4.546
  483    HD2  ARG  67           HD2      ARG  67  -7.915  10.284   5.194
  484    HD3  ARG  67           HD1      ARG  67  -7.779  10.913   6.833
  485    HE   ARG  67           HE       ARG  67  -8.395  12.559   4.451
  486   HH11  ARG  67          HH11      ARG  67  -8.541  12.112   7.980
  487   HH12  ARG  67          HH12      ARG  67  -9.713  13.328   8.173
  488   HH21  ARG  67          HH21      ARG  67  -9.878  14.154   4.743
  489   HH22  ARG  67          HH22      ARG  67 -10.488  14.578   6.305
  490    H    VAL  68           HN       VAL  68  -1.996   8.944   4.812
  491    HA   VAL  68           HA       VAL  68  -1.951   6.999   6.976
  492    HB   VAL  68           HB       VAL  68  -0.588   5.541   5.443
  493   HG11  VAL  68          HG11      VAL  68  -2.447   4.908   3.998
  494   HG12  VAL  68          HG12      VAL  68  -3.273   6.418   4.387
  495   HG13  VAL  68          HG13      VAL  68  -2.975   5.217   5.647
  496   HG21  VAL  68          HG21      VAL  68  -1.273   7.641   3.368
  497   HG22  VAL  68          HG22      VAL  68  -0.510   6.083   3.060
  498   HG23  VAL  68          HG23      VAL  68   0.340   7.305   4.003
  499    H    ASP  69           HN       ASP  69   0.461   5.964   7.087
  500    HA   ASP  69           HA       ASP  69   2.606   7.843   6.899
  501    HB2  ASP  69           HB2      ASP  69   1.561   8.652   9.009
  502    HB3  ASP  69           HB1      ASP  69   1.643   7.015   9.663
  503    H    THR  70           HN       THR  70   1.352   4.939   8.424
  504    HA   THR  70           HA       THR  70   3.753   3.500   7.541
  505    HB   THR  70           HB       THR  70   3.131   1.809   9.268
  506    HG1  THR  70           HG1      THR  70   1.149   3.758   9.922
  507   HG21  THR  70          HG21      THR  70   4.795   3.511   9.797
  508   HG22  THR  70          HG22      THR  70   3.834   3.119  11.226
  509   HG23  THR  70          HG23      THR  70   3.522   4.609  10.330
  510    HA   PRO  71           HA       PRO  71   1.340   0.906   4.765
  511    HB2  PRO  71           HB2      PRO  71   2.705  -1.339   6.179
  512    HB3  PRO  71           HB1      PRO  71   2.573  -1.024   4.432
  513    HG2  PRO  71           HG2      PRO  71   4.846  -0.519   5.634
  514    HG3  PRO  71           HG1      PRO  71   4.179   0.690   4.525
  515    HD2  PRO  71           HD2      PRO  71   4.110   0.642   7.517
  516    HD3  PRO  71           HD1      PRO  71   4.476   1.993   6.426
  517    H    ARG  72           HN       ARG  72   1.334   0.323   8.178
  518    HA   ARG  72           HA       ARG  72  -0.596  -1.769   8.298
  519    HB2  ARG  72           HB2      ARG  72   1.012  -1.038  10.118
  520    HB3  ARG  72           HB1      ARG  72  -0.048   0.326  10.400
  521    HG2  ARG  72           HG2      ARG  72  -1.832  -1.139  11.074
  522    HG3  ARG  72           HG1      ARG  72  -0.842  -2.554  10.664
  523    HD2  ARG  72           HD2      ARG  72  -0.715  -2.212  13.035
  524    HD3  ARG  72           HD1      ARG  72   0.836  -1.786  12.328
  525    HE   ARG  72           HE       ARG  72  -1.196   0.110  13.309
  526   HH11  ARG  72          HH11      ARG  72   2.197  -0.358  12.288
  527   HH12  ARG  72          HH12      ARG  72   2.775   0.986  13.157
  528   HH21  ARG  72          HH21      ARG  72  -0.402   1.915  14.437
  529   HH22  ARG  72          HH22      ARG  72   1.275   2.276  14.460
  530    H    GLU  73           HN       GLU  73  -0.742   1.722   8.483
  531    HA   GLU  73           HA       GLU  73  -3.544   1.948   8.883
  532    HB2  GLU  73           HB2      GLU  73  -1.521   3.920   7.823
  533    HB3  GLU  73           HB1      GLU  73  -3.130   4.318   8.421
  534    HG2  GLU  73           HG2      GLU  73  -2.580   3.780  10.620
  535    HG3  GLU  73           HG1      GLU  73  -1.121   2.917  10.133
  536    H    LEU  74           HN       LEU  74  -1.358   1.970   6.128
  537    HA   LEU  74           HA       LEU  74  -3.176   2.704   4.084
  538    HB2  LEU  74           HB2      LEU  74  -0.576   2.430   4.025
  539    HB3  LEU  74           HB1      LEU  74  -0.898   0.745   3.728
  540    HG   LEU  74           HG       LEU  74  -1.683   3.058   1.928
  541   HD11  LEU  74          HD11      LEU  74   0.688   2.691   1.914
  542   HD12  LEU  74          HD12      LEU  74  -0.014   2.160   0.389
  543   HD13  LEU  74          HD13      LEU  74   0.442   0.971   1.621
  544   HD21  LEU  74          HD21      LEU  74  -2.301   1.376   0.264
  545   HD22  LEU  74          HD22      LEU  74  -3.266   1.214   1.740
  546   HD23  LEU  74          HD23      LEU  74  -1.942   0.092   1.429
  547    H    LEU  75           HN       LEU  75  -2.180  -0.490   5.304
  548    HA   LEU  75           HA       LEU  75  -3.771  -2.133   3.726
  549    HB2  LEU  75           HB2      LEU  75  -1.992  -2.911   5.263
  550    HB3  LEU  75           HB1      LEU  75  -3.012  -2.522   6.628
  551    HG   LEU  75           HG       LEU  75  -4.658  -4.234   5.758
  552   HD11  LEU  75          HD11      LEU  75  -3.847  -4.338   3.449
  553   HD12  LEU  75          HD12      LEU  75  -3.851  -5.923   4.224
  554   HD13  LEU  75          HD13      LEU  75  -2.334  -5.047   4.026
  555   HD21  LEU  75          HD21      LEU  75  -1.907  -5.202   6.525
  556   HD22  LEU  75          HD22      LEU  75  -3.402  -6.129   6.646
  557   HD23  LEU  75          HD23      LEU  75  -3.179  -4.687   7.637
  558    H    ASP  76           HN       ASP  76  -4.474  -0.661   6.871
  559    HA   ASP  76           HA       ASP  76  -7.040  -1.767   7.213
  560    HB2  ASP  76           HB2      ASP  76  -5.768  -0.858   9.082
  561    HB3  ASP  76           HB1      ASP  76  -5.890   0.758   8.400
  562    H    LEU  77           HN       LEU  77  -5.973   1.341   5.942
  563    HA   LEU  77           HA       LEU  77  -8.405   2.578   5.545
  564    HB2  LEU  77           HB2      LEU  77  -6.185   3.631   5.313
  565    HB3  LEU  77           HB1      LEU  77  -5.930   2.750   3.826
  566    HG   LEU  77           HG       LEU  77  -7.834   3.962   2.821
  567   HD11  LEU  77          HD11      LEU  77  -9.052   4.452   4.845
  568   HD12  LEU  77          HD12      LEU  77  -8.667   5.963   3.995
  569   HD13  LEU  77          HD13      LEU  77  -7.728   5.466   5.407
  570   HD21  LEU  77          HD21      LEU  77  -5.634   5.679   3.970
  571   HD22  LEU  77          HD22      LEU  77  -6.645   6.096   2.588
  572   HD23  LEU  77          HD23      LEU  77  -5.532   4.730   2.488
  573    H    ILE  78           HN       ILE  78  -6.621   0.409   3.389
  574    HA   ILE  78           HA       ILE  78  -8.475   0.539   1.234
  575    HB   ILE  78           HB       ILE  78  -6.543  -1.721   1.899
  576   HG12  ILE  78          HG12      ILE  78  -5.378   0.425   1.591
  577   HG13  ILE  78          HG11      ILE  78  -5.025  -0.699   0.285
  578   HG21  ILE  78          HG21      ILE  78  -6.729  -2.296  -0.485
  579   HG22  ILE  78          HG22      ILE  78  -7.948  -1.041  -0.682
  580   HG23  ILE  78          HG23      ILE  78  -8.280  -2.435   0.349
  581   HD11  ILE  78          HD11      ILE  78  -6.966   1.595   0.154
  582   HD12  ILE  78          HD12      ILE  78  -6.584   0.482  -1.162
  583   HD13  ILE  78          HD13      ILE  78  -5.348   1.574  -0.546
  584    H    ASN  79           HN       ASN  79  -7.888  -1.849   3.793
  585    HA   ASN  79           HA       ASN  79  -9.896  -3.695   3.203
  586    HB2  ASN  79           HB2      ASN  79  -8.573  -2.928   5.795
  587    HB3  ASN  79           HB1      ASN  79  -9.854  -4.113   5.768
  588   HD21  ASN  79          HD21      ASN  79  -7.488  -3.885   3.146
  589   HD22  ASN  79          HD22      ASN  79  -6.670  -5.349   3.560
  590    H    GLY  80           HN       GLY  80 -10.074  -0.792   5.192
  591    HA2  GLY  80           HA2      GLY  80 -12.746  -1.142   6.001
  592    HA3  GLY  80           HA1      GLY  80 -11.826   0.354   6.045
  593    H    ALA  81           HN       ALA  81 -11.327   0.773   3.310
  594    HA   ALA  81           HA       ALA  81 -13.831   1.909   2.624
  595    HB1  ALA  81           HB1      ALA  81 -11.296   1.732   1.001
  596    HB2  ALA  81           HB2      ALA  81 -11.715   3.002   2.155
  597    HB3  ALA  81           HB3      ALA  81 -12.669   2.807   0.687
  598    H    LEU  82           HN       LEU  82 -12.153  -0.973   1.651
  599    HA   LEU  82           HA       LEU  82 -13.369  -1.778  -0.686
  600    HB2  LEU  82           HB2      LEU  82 -12.507  -3.328   1.731
  601    HB3  LEU  82           HB1      LEU  82 -13.140  -4.145   0.327
  602    HG   LEU  82           HG       LEU  82 -10.726  -2.346   0.252
  603   HD11  LEU  82          HD11      LEU  82  -9.421  -4.431   0.271
  604   HD12  LEU  82          HD12      LEU  82 -10.900  -5.352   0.541
  605   HD13  LEU  82          HD13      LEU  82 -10.329  -4.221   1.767
  606   HD21  LEU  82          HD21      LEU  82 -11.788  -4.444  -1.638
  607   HD22  LEU  82          HD22      LEU  82 -10.290  -3.536  -1.846
  608   HD23  LEU  82          HD23      LEU  82 -11.845  -2.699  -1.888
  609    H    ALA  83           HN       ALA  83 -14.596  -2.151   2.602
  610    HA   ALA  83           HA       ALA  83 -16.851  -3.726   1.850
  611    HB1  ALA  83           HB1      ALA  83 -17.537  -3.514   4.152
  612    HB2  ALA  83           HB2      ALA  83 -16.363  -2.225   4.405
  613    HB3  ALA  83           HB3      ALA  83 -15.813  -3.862   4.058
  614    H    GLU  84           HN       GLU  84 -16.283  -0.336   2.045
  615    HA   GLU  84           HA       GLU  84 -19.086   0.300   2.272
  616    HB2  GLU  84           HB2      GLU  84 -17.377   1.650   3.398
  617    HB3  GLU  84           HB1      GLU  84 -16.673   2.059   1.842
  618    HG2  GLU  84           HG2      GLU  84 -18.640   3.298   1.237
  619    HG3  GLU  84           HG1      GLU  84 -19.452   2.799   2.725
  620    H    ALA  85           HN       ALA  85 -16.810  -0.284  -0.200
  621    HA   ALA  85           HA       ALA  85 -17.985   1.221  -2.296
  622    HB1  ALA  85           HB1      ALA  85 -16.631  -0.163  -3.787
  623    HB2  ALA  85           HB2      ALA  85 -16.282  -1.263  -2.452
  624    HB3  ALA  85           HB3      ALA  85 -15.682   0.401  -2.410
  625    H    ALA  86           HN       ALA  86 -18.600  -1.865  -0.882
  626    HA   ALA  86           HA       ALA  86 -20.166  -3.433  -1.072
  627    HB1  ALA  86           HB1      ALA  86 -21.788  -1.338  -2.534
  628    HB2  ALA  86           HB2      ALA  86 -21.725  -1.544  -0.783
  629    HB3  ALA  86           HB3      ALA  86 -22.416  -2.813  -1.798
  630   H28A  SXR 101          H28A      SXR  42   6.052  10.158  -6.817
  631   H28B  SXR 101          H28B      SXR  42   5.035  10.317  -5.410
  632   H30A  SXR 101          H30A      SXR  42   3.919   9.946  -8.416
  633   H30B  SXR 101          H30B      SXR  42   2.561  10.874  -7.778
  634   H30C  SXR 101          H30C      SXR  42   3.415   9.733  -6.738
  635   H31A  SXR 101          H31A      SXR  42   4.073  12.638  -5.303
  636   H31B  SXR 101          H31B      SXR  42   2.651  12.365  -6.315
  637   H31C  SXR 101          H31C      SXR  42   3.847  13.572  -6.787
  638   H32A  SXR 101          H32A      SXR  42   5.653  11.452  -8.995
  639   H33A  SXR 101          H33A      SXR  42   5.744  13.973  -8.478
  640   H36A  SXR 101          H36A      SXR  42   3.672  11.266 -10.209
  641   H37A  SXR 101          H37A      SXR  42   1.962  13.598 -10.597
  642   H37B  SXR 101          H37B      SXR  42   2.903  13.046 -11.990
  643   H38A  SXR 101          H38A      SXR  42   0.592  12.113 -11.975
  644   H38B  SXR 101          H38B      SXR  42   1.829  10.870 -11.881
  645   H41A  SXR 101          H41A      SXR  42   0.808  12.940  -9.241
  646   H42A  SXR 101          H42A      SXR  42   0.000  10.630  -7.605
  647   H42B  SXR 101          H42B      SXR  42   0.607  12.163  -7.036
  648   H43A  SXR 101          H43A      SXR  42  -1.471  13.280  -7.840
  649   H43B  SXR 101          H43B      SXR  42  -1.696  12.111  -6.540
  650   H11A  SXR 101          H11A      SXR  42  -4.282   5.731  -1.350
  651   H10A  SXR 101          H10A      SXR  42  -2.909   5.437   0.687
  652    H9A  SXR 101           H9A      SXR  42  -0.641   6.417   0.797
  653    H8A  SXR 101           H8A      SXR  42   0.248   7.690  -1.135
  654    H7A  SXR 101           H7A      SXR  42  -1.125   7.982  -3.164
  655    H5A  SXR 101           H5A      SXR  42  -4.022   6.277  -4.290
  656    H5B  SXR 101           H5B      SXR  42  -4.551   6.933  -3.034
  657    H4A  SXR 101           H4A      SXR  42  -4.117   9.314  -3.913
  658    H4B  SXR 101           H4B      SXR  42  -2.833   8.692  -3.466
  659    H2A  SXR 101           H2A      SXR  42  -3.562  10.671  -6.090
  660    H2B  SXR 101           H2B      SXR  42  -2.179  10.323  -5.677
  661    H1A  SXR 101           H1A      SXR  42  -1.805   9.049  -8.225
  662    H1B  SXR 101           H1B      SXR  42  -3.307   9.196  -8.011
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1 -19.333  -9.222  -4.567
    2    H2   MET   1           HT2      MET   1 -18.260  -9.404  -3.236
    3    H3   MET   1           HT3      MET   1 -17.663  -9.249  -4.786
    4    HA   MET   1           HA       MET   1 -18.332  -7.092  -5.060
    5    HB2  MET   1           HB2      MET   1 -19.513  -7.323  -2.279
    6    HB3  MET   1           HB1      MET   1 -19.341  -5.813  -3.157
    7    HG2  MET   1           HG2      MET   1 -20.865  -6.714  -4.895
    8    HG3  MET   1           HG1      MET   1 -21.060  -8.152  -3.893
    9    HE1  MET   1           HE1      MET   1 -22.136  -8.130  -1.465
   10    HE2  MET   1           HE2      MET   1 -22.747  -6.670  -0.686
   11    HE3  MET   1           HE3      MET   1 -21.021  -6.854  -0.975
   12    H    ALA   2           HN       ALA   2 -17.746  -7.343  -1.585
   13    HA   ALA   2           HA       ALA   2 -15.204  -6.020  -2.036
   14    HB1  ALA   2           HB1      ALA   2 -15.241  -5.535   0.360
   15    HB2  ALA   2           HB2      ALA   2 -16.698  -6.500   0.551
   16    HB3  ALA   2           HB3      ALA   2 -16.738  -5.024  -0.418
   17    H    THR   3           HN       THR   3 -13.569  -7.330  -2.348
   18    HA   THR   3           HA       THR   3 -13.281  -9.688  -0.619
   19    HB   THR   3           HB       THR   3 -11.965  -9.120  -3.296
   20    HG1  THR   3           HG1      THR   3 -14.458  -9.954  -2.759
   21   HG21  THR   3          HG21      THR   3 -10.662 -10.659  -1.857
   22   HG22  THR   3          HG22      THR   3 -11.356 -11.514  -3.232
   23   HG23  THR   3          HG23      THR   3 -12.092 -11.671  -1.647
   24    H    LEU   4           HN       LEU   4 -12.175  -8.879   1.086
   25    HA   LEU   4           HA       LEU   4 -10.330  -6.739   0.931
   26    HB2  LEU   4           HB2      LEU   4 -10.927  -8.703   3.132
   27    HB3  LEU   4           HB1      LEU   4  -9.691  -7.483   3.294
   28    HG   LEU   4           HG       LEU   4 -11.470  -5.720   3.003
   29   HD11  LEU   4          HD11      LEU   4 -13.776  -6.289   3.330
   30   HD12  LEU   4          HD12      LEU   4 -13.383  -8.019   3.290
   31   HD13  LEU   4          HD13      LEU   4 -13.147  -7.027   1.842
   32   HD21  LEU   4          HD21      LEU   4 -10.645  -6.327   5.190
   33   HD22  LEU   4          HD22      LEU   4 -11.818  -7.641   5.288
   34   HD23  LEU   4          HD23      LEU   4 -12.371  -5.964   5.269
   35    H    LEU   5           HN       LEU   5  -8.173  -6.705   1.182
   36    HA   LEU   5           HA       LEU   5  -6.796  -9.071   0.177
   37    HB2  LEU   5           HB2      LEU   5  -4.877  -7.517  -0.296
   38    HB3  LEU   5           HB1      LEU   5  -6.317  -7.147  -1.199
   39    HG   LEU   5           HG       LEU   5  -5.858  -5.600   1.317
   40   HD11  LEU   5          HD11      LEU   5  -3.642  -5.619   0.247
   41   HD12  LEU   5          HD12      LEU   5  -4.416  -4.043   0.120
   42   HD13  LEU   5          HD13      LEU   5  -4.380  -5.102  -1.280
   43   HD21  LEU   5          HD21      LEU   5  -6.812  -3.803  -0.072
   44   HD22  LEU   5          HD22      LEU   5  -7.875  -5.217  -0.091
   45   HD23  LEU   5          HD23      LEU   5  -6.813  -4.887  -1.453
   46    H    THR   6           HN       THR   6  -4.798  -9.721   1.138
   47    HA   THR   6           HA       THR   6  -4.983  -9.402   4.020
   48    HB   THR   6           HB       THR   6  -3.426 -11.285   4.156
   49    HG1  THR   6           HG1      THR   6  -3.546 -11.235   1.290
   50   HG21  THR   6          HG21      THR   6  -4.903 -13.047   3.239
   51   HG22  THR   6          HG22      THR   6  -5.768 -11.825   2.308
   52   HG23  THR   6          HG23      THR   6  -5.824 -11.780   4.070
   53    H    THR   7           HN       THR   7  -2.490  -9.836   4.909
   54    HA   THR   7           HA       THR   7  -1.227  -7.350   4.453
   55    HB   THR   7           HB       THR   7  -0.203  -9.766   5.968
   56    HG1  THR   7           HG1      THR   7  -2.384  -8.338   6.482
   57   HG21  THR   7          HG21      THR   7   1.483  -8.035   5.549
   58   HG22  THR   7          HG22      THR   7   1.057  -8.085   7.255
   59   HG23  THR   7          HG23      THR   7   0.405  -6.812   6.208
   60    H    ASP   8           HN       ASP   8  -0.962 -10.553   3.187
   61    HA   ASP   8           HA       ASP   8   1.699 -10.197   2.203
   62    HB2  ASP   8           HB2      ASP   8  -0.298 -12.410   1.748
   63    HB3  ASP   8           HB1      ASP   8   1.311 -12.385   1.022
   64    H    ASP   9           HN       ASP   9  -1.497  -9.732   1.007
   65    HA   ASP   9           HA       ASP   9  -0.848  -9.476  -1.734
   66    HB2  ASP   9           HB2      ASP   9  -3.067  -8.139  -0.150
   67    HB3  ASP   9           HB1      ASP   9  -2.898  -8.062  -1.905
   68    H    LEU  10           HN       LEU  10  -0.997  -7.213   0.917
   69    HA   LEU  10           HA       LEU  10  -0.218  -4.887  -0.536
   70    HB2  LEU  10           HB2      LEU  10  -1.279  -4.824   1.730
   71    HB3  LEU  10           HB1      LEU  10   0.179  -5.523   2.391
   72    HG   LEU  10           HG       LEU  10   1.459  -3.515   1.794
   73   HD11  LEU  10          HD11      LEU  10  -1.215  -2.401   0.932
   74   HD12  LEU  10          HD12      LEU  10   0.143  -2.777  -0.129
   75   HD13  LEU  10          HD13      LEU  10   0.301  -1.493   1.081
   76   HD21  LEU  10          HD21      LEU  10  -1.024  -2.998   3.405
   77   HD22  LEU  10          HD22      LEU  10   0.470  -2.037   3.443
   78   HD23  LEU  10          HD23      LEU  10   0.483  -3.700   4.003
   79    H    ARG  11           HN       ARG  11   1.554  -7.304   1.306
   80    HA   ARG  11           HA       ARG  11   4.097  -6.316   0.993
   81    HB2  ARG  11           HB2      ARG  11   3.815  -8.082   2.515
   82    HB3  ARG  11           HB1      ARG  11   3.058  -9.124   1.323
   83    HG2  ARG  11           HG2      ARG  11   5.046  -9.871   0.537
   84    HG3  ARG  11           HG1      ARG  11   5.873  -8.344   0.831
   85    HD2  ARG  11           HD2      ARG  11   6.666 -10.209   2.280
   86    HD3  ARG  11           HD1      ARG  11   6.073  -8.821   3.169
   87    HE   ARG  11           HE       ARG  11   4.124 -10.958   2.826
   88   HH11  ARG  11          HH11      ARG  11   6.728  -9.703   4.906
   89   HH12  ARG  11          HH12      ARG  11   6.217 -10.495   6.303
   90   HH21  ARG  11          HH21      ARG  11   3.409 -12.023   4.647
   91   HH22  ARG  11          HH22      ARG  11   4.150 -11.881   6.198
   92    H    ARG  12           HN       ARG  12   2.254  -8.344  -1.262
   93    HA   ARG  12           HA       ARG  12   4.317  -8.626  -3.169
   94    HB2  ARG  12           HB2      ARG  12   1.340  -8.735  -3.494
   95    HB3  ARG  12           HB1      ARG  12   2.469  -8.984  -4.807
   96    HG2  ARG  12           HG2      ARG  12   3.431 -10.887  -3.405
   97    HG3  ARG  12           HG1      ARG  12   2.012 -10.685  -2.365
   98    HD2  ARG  12           HD2      ARG  12   1.605 -12.429  -4.022
   99    HD3  ARG  12           HD1      ARG  12   0.551 -11.036  -4.299
  100    HE   ARG  12           HE       ARG  12   2.307 -10.400  -6.089
  101   HH11  ARG  12          HH11      ARG  12   1.698 -13.782  -5.241
  102   HH12  ARG  12          HH12      ARG  12   2.103 -14.352  -6.784
  103   HH21  ARG  12          HH21      ARG  12   2.843 -11.130  -8.093
  104   HH22  ARG  12          HH22      ARG  12   2.781 -12.838  -8.445
  105    H    ALA  13           HN       ALA  13   1.569  -6.385  -3.091
  106    HA   ALA  13           HA       ALA  13   2.120  -5.093  -5.487
  107    HB1  ALA  13           HB1      ALA  13   0.723  -3.932  -3.091
  108    HB2  ALA  13           HB2      ALA  13  -0.031  -4.940  -4.326
  109    HB3  ALA  13           HB3      ALA  13   0.604  -3.353  -4.752
  110    H    LEU  14           HN       LEU  14   3.455  -4.556  -2.331
  111    HA   LEU  14           HA       LEU  14   4.623  -2.048  -3.069
  112    HB2  LEU  14           HB2      LEU  14   4.000  -2.933  -0.695
  113    HB3  LEU  14           HB1      LEU  14   5.520  -3.783  -0.767
  114    HG   LEU  14           HG       LEU  14   6.697  -1.629  -1.018
  115   HD11  LEU  14          HD11      LEU  14   3.957  -0.460  -0.566
  116   HD12  LEU  14          HD12      LEU  14   4.898  -0.340  -2.050
  117   HD13  LEU  14          HD13      LEU  14   5.461   0.449  -0.575
  118   HD21  LEU  14          HD21      LEU  14   6.413  -2.601   1.201
  119   HD22  LEU  14          HD22      LEU  14   4.853  -1.778   1.348
  120   HD23  LEU  14          HD23      LEU  14   6.345  -0.836   1.269
  121    H    VAL  15           HN       VAL  15   5.847  -5.379  -2.611
  122    HA   VAL  15           HA       VAL  15   8.505  -4.875  -3.373
  123    HB   VAL  15           HB       VAL  15   6.885  -7.438  -3.512
  124   HG11  VAL  15          HG11      VAL  15   9.885  -7.128  -3.856
  125   HG12  VAL  15          HG12      VAL  15   8.752  -7.611  -5.123
  126   HG13  VAL  15          HG13      VAL  15   9.001  -8.649  -3.725
  127   HG21  VAL  15          HG21      VAL  15   7.256  -6.563  -1.265
  128   HG22  VAL  15          HG22      VAL  15   8.994  -6.492  -1.581
  129   HG23  VAL  15          HG23      VAL  15   8.184  -8.052  -1.524
  130    H    GLU  16           HN       GLU  16   5.741  -5.968  -5.319
  131    HA   GLU  16           HA       GLU  16   7.191  -6.215  -7.707
  132    HB2  GLU  16           HB2      GLU  16   4.211  -5.953  -7.237
  133    HB3  GLU  16           HB1      GLU  16   4.887  -6.252  -8.817
  134    HG2  GLU  16           HG2      GLU  16   5.954  -8.328  -7.880
  135    HG3  GLU  16           HG1      GLU  16   5.083  -8.031  -6.385
  136    H    SER  17           HN       SER  17   6.304  -3.403  -6.110
  137    HA   SER  17           HA       SER  17   6.062  -1.726  -8.448
  138    HB2  SER  17           HB2      SER  17   4.880  -1.230  -6.305
  139    HB3  SER  17           HB1      SER  17   6.430  -1.018  -5.517
  140    HG   SER  17           HG       SER  17   5.766   1.031  -6.095
  141    H    ALA  18           HN       ALA  18   8.529  -2.603  -6.057
  142    HA   ALA  18           HA       ALA  18  10.464  -0.775  -7.225
  143    HB1  ALA  18           HB1      ALA  18  12.025  -1.612  -5.484
  144    HB2  ALA  18           HB2      ALA  18  10.872  -2.830  -5.016
  145    HB3  ALA  18           HB3      ALA  18  10.495  -1.129  -4.772
  146    H    GLY  19           HN       GLY  19   9.858  -4.218  -7.000
  147    HA2  GLY  19           HA2      GLY  19  10.316  -5.900  -8.480
  148    HA3  GLY  19           HA1      GLY  19  10.891  -4.686  -9.605
  149    H    GLU  20           HN       GLU  20  12.997  -4.321  -9.822
  150    HA   GLU  20           HA       GLU  20  14.739  -6.179  -8.400
  151    HB2  GLU  20           HB2      GLU  20  14.409  -6.714 -10.804
  152    HB3  GLU  20           HB1      GLU  20  15.020  -5.117 -11.213
  153    HG2  GLU  20           HG2      GLU  20  17.194  -5.659 -10.473
  154    HG3  GLU  20           HG1      GLU  20  16.644  -7.161  -9.720
  155    H    THR  21           HN       THR  21  15.583  -5.057  -6.860
  156    HA   THR  21           HA       THR  21  17.456  -3.047  -7.417
  157    HB   THR  21           HB       THR  21  15.442  -1.599  -7.427
  158    HG1  THR  21           HG1      THR  21  17.012  -0.458  -6.566
  159   HG21  THR  21          HG21      THR  21  13.937  -3.002  -6.120
  160   HG22  THR  21          HG22      THR  21  14.022  -1.378  -5.448
  161   HG23  THR  21          HG23      THR  21  14.904  -2.710  -4.675
  162    H    ASP  22           HN       ASP  22  17.474  -2.135  -4.695
  163    HA   ASP  22           HA       ASP  22  17.953  -4.622  -3.212
  164    HB2  ASP  22           HB2      ASP  22  20.101  -3.966  -4.243
  165    HB3  ASP  22           HB1      ASP  22  19.950  -2.376  -3.493
  166    H    GLY  23           HN       GLY  23  16.385  -4.320  -1.795
  167    HA2  GLY  23           HA2      GLY  23  16.555  -3.039   0.567
  168    HA3  GLY  23           HA1      GLY  23  16.015  -1.739  -0.517
  169    H    THR  24           HN       THR  24  14.838  -4.962  -1.133
  170    HA   THR  24           HA       THR  24  12.232  -4.002  -0.229
  171    HB   THR  24           HB       THR  24  11.375  -5.571  -2.028
  172    HG1  THR  24           HG1      THR  24  13.062  -6.708  -2.707
  173   HG21  THR  24          HG21      THR  24  11.300  -3.137  -2.223
  174   HG22  THR  24          HG22      THR  24  11.701  -3.864  -3.779
  175   HG23  THR  24          HG23      THR  24  12.965  -3.120  -2.808
  176    H    ASP  25           HN       ASP  25  13.963  -5.473   1.470
  177    HA   ASP  25           HA       ASP  25  12.967  -8.173   1.407
  178    HB2  ASP  25           HB2      ASP  25  14.974  -6.852   3.234
  179    HB3  ASP  25           HB1      ASP  25  14.393  -8.497   3.490
  180    H    LEU  26           HN       LEU  26  10.875  -7.493   1.525
  181    HA   LEU  26           HA       LEU  26   9.765  -6.650   4.085
  182    HB2  LEU  26           HB2      LEU  26   8.612  -7.204   1.379
  183    HB3  LEU  26           HB1      LEU  26   7.570  -7.229   2.773
  184    HG   LEU  26           HG       LEU  26   8.030  -4.866   3.195
  185   HD11  LEU  26          HD11      LEU  26   9.271  -3.507   1.656
  186   HD12  LEU  26          HD12      LEU  26   9.772  -4.919   0.729
  187   HD13  LEU  26          HD13      LEU  26  10.327  -4.711   2.396
  188   HD21  LEU  26          HD21      LEU  26   7.276  -5.457   0.341
  189   HD22  LEU  26          HD22      LEU  26   6.914  -3.970   1.227
  190   HD23  LEU  26          HD23      LEU  26   6.213  -5.502   1.743
  191    H    SER  27           HN       SER  27  11.082  -9.373   3.335
  192    HA   SER  27           HA       SER  27   9.177 -11.374   3.497
  193    HB2  SER  27           HB2      SER  27  11.353 -12.630   4.266
  194    HB3  SER  27           HB1      SER  27  11.157 -12.063   2.606
  195    HG   SER  27           HG       SER  27  13.055 -11.229   3.123
  196    H    GLY  28           HN       GLY  28  10.695  -9.468   5.953
  197    HA2  GLY  28           HA2      GLY  28   9.595 -11.207   8.036
  198    HA3  GLY  28           HA1      GLY  28  10.673  -9.826   8.318
  199    H    ASP  29           HN       ASP  29   9.810  -7.811   8.592
  200    HA   ASP  29           HA       ASP  29   6.901  -7.583   8.414
  201    HB2  ASP  29           HB2      ASP  29   7.350  -7.695  10.775
  202    HB3  ASP  29           HB1      ASP  29   8.686  -6.556  10.627
  203    H    PHE  30           HN       PHE  30   6.138  -5.569   7.941
  204    HA   PHE  30           HA       PHE  30   7.956  -3.473   7.285
  205    HB2  PHE  30           HB2      PHE  30   7.112  -3.117   5.069
  206    HB3  PHE  30           HB1      PHE  30   7.864  -4.682   5.111
  207    HD1  PHE  30           HD1      PHE  30   6.002  -6.675   5.691
  208    HD2  PHE  30           HD2      PHE  30   5.143  -2.876   3.969
  209    HE1  PHE  30           HE1      PHE  30   3.910  -7.568   4.774
  210    HE2  PHE  30           HE2      PHE  30   3.026  -3.777   3.062
  211    HZ   PHE  30           HZ       PHE  30   2.421  -6.112   3.468
  212    H    LEU  31           HN       LEU  31   5.421  -4.398   8.985
  213    HA   LEU  31           HA       LEU  31   3.482  -2.530   8.011
  214    HB2  LEU  31           HB2      LEU  31   3.458  -4.367  10.383
  215    HB3  LEU  31           HB1      LEU  31   2.120  -3.355   9.909
  216    HG   LEU  31           HG       LEU  31   3.258  -5.634   8.267
  217   HD11  LEU  31          HD11      LEU  31   0.663  -5.329   9.748
  218   HD12  LEU  31          HD12      LEU  31   2.017  -6.367  10.221
  219   HD13  LEU  31          HD13      LEU  31   1.122  -6.694   8.726
  220   HD21  LEU  31          HD21      LEU  31   1.361  -5.222   6.771
  221   HD22  LEU  31          HD22      LEU  31   2.441  -3.835   6.839
  222   HD23  LEU  31          HD23      LEU  31   0.908  -3.810   7.728
  223    H    ASP  32           HN       ASP  32   5.811  -2.770  10.630
  224    HA   ASP  32           HA       ASP  32   4.686  -0.298  11.770
  225    HB2  ASP  32           HB2      ASP  32   5.023  -2.279  13.270
  226    HB3  ASP  32           HB1      ASP  32   6.756  -2.153  12.999
  227    H    LEU  33           HN       LEU  33   6.505  -0.667   9.374
  228    HA   LEU  33           HA       LEU  33   8.563   1.175  10.275
  229    HB2  LEU  33           HB2      LEU  33  10.051   0.342   8.400
  230    HB3  LEU  33           HB1      LEU  33   9.601  -0.850   9.585
  231    HG   LEU  33           HG       LEU  33   8.006  -1.795   8.053
  232   HD11  LEU  33          HD11      LEU  33   9.230   0.070   6.019
  233   HD12  LEU  33          HD12      LEU  33   7.558   0.103   6.592
  234   HD13  LEU  33          HD13      LEU  33   8.142  -1.287   5.683
  235   HD21  LEU  33          HD21      LEU  33  10.849  -1.591   7.134
  236   HD22  LEU  33          HD22      LEU  33   9.713  -2.865   6.686
  237   HD23  LEU  33          HD23      LEU  33  10.202  -2.675   8.369
  238    H    ARG  34           HN       ARG  34   9.201   2.921   8.860
  239    HA   ARG  34           HA       ARG  34   6.823   4.120   7.698
  240    HB2  ARG  34           HB2      ARG  34   9.607   5.218   8.025
  241    HB3  ARG  34           HB1      ARG  34   8.216   6.120   7.470
  242    HG2  ARG  34           HG2      ARG  34   7.158   5.858   9.647
  243    HG3  ARG  34           HG1      ARG  34   8.546   4.919  10.215
  244    HD2  ARG  34           HD2      ARG  34   8.595   7.776   9.252
  245    HD3  ARG  34           HD1      ARG  34   8.730   7.250  10.930
  246    HE   ARG  34           HE       ARG  34  10.753   5.934   9.625
  247   HH11  ARG  34          HH11      ARG  34   9.923   9.387   9.837
  248   HH12  ARG  34          HH12      ARG  34  11.539   9.879   9.862
  249   HH21  ARG  34          HH21      ARG  34  12.837   6.575   9.570
  250   HH22  ARG  34          HH22      ARG  34  13.301   8.239   9.677
  251    H    PHE  35           HN       PHE  35   6.742   4.975   5.624
  252    HA   PHE  35           HA       PHE  35   7.992   3.448   3.613
  253    HB2  PHE  35           HB2      PHE  35   6.522   6.077   3.416
  254    HB3  PHE  35           HB1      PHE  35   7.036   5.129   2.023
  255    HD1  PHE  35           HD2      PHE  35   6.187   2.713   1.884
  256    HD2  PHE  35           HD1      PHE  35   4.395   5.660   4.387
  257    HE1  PHE  35           HE2      PHE  35   4.116   1.368   2.023
  258    HE2  PHE  35           HE1      PHE  35   2.369   4.331   4.525
  259    HZ   PHE  35           HZ       PHE  35   2.218   2.190   3.368
  260    H    GLU  36           HN       GLU  36   8.703   6.531   5.051
  261    HA   GLU  36           HA       GLU  36  10.733   7.502   3.355
  262    HB2  GLU  36           HB2      GLU  36  10.500   7.831   6.365
  263    HB3  GLU  36           HB1      GLU  36  11.418   8.857   5.282
  264    HG2  GLU  36           HG2      GLU  36   9.348   9.586   4.203
  265    HG3  GLU  36           HG1      GLU  36   8.427   8.515   5.261
  266    H    ASP  37           HN       ASP  37  10.682   5.025   5.742
  267    HA   ASP  37           HA       ASP  37  13.513   4.822   6.240
  268    HB2  ASP  37           HB2      ASP  37  11.086   3.685   7.277
  269    HB3  ASP  37           HB1      ASP  37  12.283   2.423   7.000
  270    H    ILE  38           HN       ILE  38  11.165   3.272   4.178
  271    HA   ILE  38           HA       ILE  38  13.152   1.292   3.390
  272    HB   ILE  38           HB       ILE  38  11.246   0.060   2.331
  273   HG12  ILE  38          HG12      ILE  38   9.543   2.033   3.869
  274   HG13  ILE  38          HG11      ILE  38   9.738   2.059   2.124
  275   HG21  ILE  38          HG21      ILE  38  10.992   0.578   5.296
  276   HG22  ILE  38          HG22      ILE  38  12.126  -0.542   4.549
  277   HG23  ILE  38          HG23      ILE  38  10.395  -0.835   4.424
  278   HD11  ILE  38          HD11      ILE  38   8.697  -0.169   2.020
  279   HD12  ILE  38          HD12      ILE  38   7.633   1.008   2.782
  280   HD13  ILE  38          HD13      ILE  38   8.512  -0.161   3.772
  281    H    GLY  39           HN       GLY  39  12.846   4.134   2.404
  282    HA2  GLY  39           HA2      GLY  39  13.637   5.118   0.438
  283    HA3  GLY  39           HA1      GLY  39  13.735   3.512  -0.260
  284    H    TYR  40           HN       TYR  40  10.662   4.241   0.985
  285    HA   TYR  40           HA       TYR  40   9.744   4.664  -1.738
  286    HB2  TYR  40           HB2      TYR  40   8.271   3.711   0.703
  287    HB3  TYR  40           HB1      TYR  40   7.435   4.268  -0.724
  288    HD1  TYR  40           HD2      TYR  40  10.051   1.803   0.262
  289    HD2  TYR  40           HD1      TYR  40   6.881   2.787  -2.379
  290    HE1  TYR  40           HE2      TYR  40  10.238  -0.406  -0.742
  291    HE2  TYR  40           HE1      TYR  40   7.032   0.591  -3.409
  292    HH   TYR  40           HH       TYR  40   8.544  -1.277  -3.620
  293    H    ASP  41           HN       ASP  41   9.820   6.565  -2.260
  294    HA   ASP  41           HA       ASP  41   9.478   8.785  -0.548
  295    HB2  ASP  41           HB2      ASP  41   9.353   9.995  -2.892
  296    HB3  ASP  41           HB1      ASP  41  10.866   9.338  -2.299
  297    H    SER  42           HN       SER  42   7.934   8.511  -3.434
  298    HA   SER  42           HA       SER  42   5.186   8.679  -2.451
  299    HB2  SER  42           HB2      SER  42   5.592  10.933  -2.162
  300    HB3  SER  42           HB1      SER  42   6.743  10.989  -3.483
  301    H    LEU  43           HN       LEU  43   7.416   9.034  -5.145
  302    HA   LEU  43           HA       LEU  43   5.629   8.436  -7.236
  303    HB2  LEU  43           HB2      LEU  43   7.821   9.560  -7.493
  304    HB3  LEU  43           HB1      LEU  43   8.634   8.056  -7.106
  305    HG   LEU  43           HG       LEU  43   7.551   7.078  -9.160
  306   HD11  LEU  43          HD11      LEU  43   6.738   8.642 -10.847
  307   HD12  LEU  43          HD12      LEU  43   6.940   9.960  -9.695
  308   HD13  LEU  43          HD13      LEU  43   5.759   8.685  -9.379
  309   HD21  LEU  43          HD21      LEU  43   9.459   9.408  -9.523
  310   HD22  LEU  43          HD22      LEU  43   9.171   8.139 -10.694
  311   HD23  LEU  43          HD23      LEU  43   9.902   7.748  -9.135
  312    H    ALA  44           HN       ALA  44   8.018   6.522  -5.488
  313    HA   ALA  44           HA       ALA  44   7.490   4.038  -6.758
  314    HB1  ALA  44           HB1      ALA  44   8.667   4.573  -4.022
  315    HB2  ALA  44           HB2      ALA  44   9.570   4.563  -5.542
  316    HB3  ALA  44           HB3      ALA  44   8.821   3.074  -4.946
  317    H    LEU  45           HN       LEU  45   5.971   5.766  -4.277
  318    HA   LEU  45           HA       LEU  45   4.686   3.504  -3.027
  319    HB2  LEU  45           HB2      LEU  45   5.576   5.510  -1.784
  320    HB3  LEU  45           HB1      LEU  45   4.337   6.466  -2.548
  321    HG   LEU  45           HG       LEU  45   3.690   4.170  -0.689
  322   HD11  LEU  45          HD11      LEU  45   5.111   5.741   0.476
  323   HD12  LEU  45          HD12      LEU  45   3.455   5.846   1.062
  324   HD13  LEU  45          HD13      LEU  45   4.096   7.083  -0.027
  325   HD21  LEU  45          HD21      LEU  45   1.608   5.386  -0.412
  326   HD22  LEU  45          HD22      LEU  45   1.891   4.971  -2.117
  327   HD23  LEU  45          HD23      LEU  45   2.195   6.621  -1.538
  328    H    MET  46           HN       MET  46   3.727   6.243  -5.150
  329    HA   MET  46           HA       MET  46   1.012   5.527  -5.111
  330    HB2  MET  46           HB2      MET  46   2.516   7.186  -7.099
  331    HB3  MET  46           HB1      MET  46   0.788   6.884  -7.213
  332    HG2  MET  46           HG2      MET  46   0.596   7.810  -4.892
  333    HG3  MET  46           HG1      MET  46   2.268   8.334  -5.047
  334    HE1  MET  46           HE1      MET  46  -0.504   8.190  -7.842
  335    HE2  MET  46           HE2      MET  46  -1.184   9.822  -7.744
  336    HE3  MET  46           HE3      MET  46  -1.390   8.693  -6.400
  337    H    GLU  47           HN       GLU  47   3.603   4.387  -7.136
  338    HA   GLU  47           HA       GLU  47   2.092   3.078  -9.089
  339    HB2  GLU  47           HB2      GLU  47   4.681   2.135  -7.809
  340    HB3  GLU  47           HB1      GLU  47   3.990   1.534  -9.309
  341    HG2  GLU  47           HG2      GLU  47   4.864   4.394  -8.889
  342    HG3  GLU  47           HG1      GLU  47   5.844   3.152  -9.660
  343    H    THR  48           HN       THR  48   2.995   2.046  -5.844
  344    HA   THR  48           HA       THR  48   1.859  -0.524  -5.867
  345    HB   THR  48           HB       THR  48   2.305   1.406  -3.579
  346    HG1  THR  48           HG1      THR  48   3.955  -0.565  -4.785
  347   HG21  THR  48          HG21      THR  48   2.437  -0.609  -2.175
  348   HG22  THR  48          HG22      THR  48   2.078  -1.615  -3.574
  349   HG23  THR  48          HG23      THR  48   0.859  -0.511  -2.947
  350    H    ALA  49           HN       ALA  49   0.659   2.608  -4.645
  351    HA   ALA  49           HA       ALA  49  -1.782   1.762  -3.583
  352    HB1  ALA  49           HB1      ALA  49  -0.839   3.978  -3.116
  353    HB2  ALA  49           HB2      ALA  49  -2.492   4.098  -3.710
  354    HB3  ALA  49           HB3      ALA  49  -1.146   4.460  -4.791
  355    H    ALA  50           HN       ALA  50  -1.170   3.230  -6.786
  356    HA   ALA  50           HA       ALA  50  -3.797   2.969  -7.723
  357    HB1  ALA  50           HB1      ALA  50  -2.156   4.505  -8.691
  358    HB2  ALA  50           HB2      ALA  50  -2.878   3.458  -9.917
  359    HB3  ALA  50           HB3      ALA  50  -1.251   3.127  -9.310
  360    H    ARG  51           HN       ARG  51  -1.169   0.766  -7.612
  361    HA   ARG  51           HA       ARG  51  -1.969  -1.112  -9.568
  362    HB2  ARG  51           HB2      ARG  51   0.289  -0.977  -8.376
  363    HB3  ARG  51           HB1      ARG  51  -0.499  -1.743  -7.013
  364    HG2  ARG  51           HG2      ARG  51   0.659  -3.405  -8.143
  365    HG3  ARG  51           HG1      ARG  51  -1.046  -3.650  -8.526
  366    HD2  ARG  51           HD2      ARG  51   0.941  -2.228 -10.315
  367    HD3  ARG  51           HD1      ARG  51   0.482  -3.912 -10.454
  368    HE   ARG  51           HE       ARG  51  -1.857  -2.969 -10.746
  369   HH11  ARG  51          HH11      ARG  51   1.015  -1.111 -11.807
  370   HH12  ARG  51          HH12      ARG  51   0.261  -0.518 -13.212
  371   HH21  ARG  51          HH21      ARG  51  -2.887  -2.002 -12.697
  372   HH22  ARG  51          HH22      ARG  51  -1.951  -0.995 -13.697
  373    H    LEU  52           HN       LEU  52  -2.575  -0.820  -6.108
  374    HA   LEU  52           HA       LEU  52  -4.175  -3.180  -5.916
  375    HB2  LEU  52           HB2      LEU  52  -3.797  -0.827  -4.084
  376    HB3  LEU  52           HB1      LEU  52  -4.818  -2.200  -3.681
  377    HG   LEU  52           HG       LEU  52  -1.845  -2.342  -4.225
  378   HD11  LEU  52          HD11      LEU  52  -2.291  -1.142  -2.138
  379   HD12  LEU  52          HD12      LEU  52  -1.614  -2.729  -1.807
  380   HD13  LEU  52          HD13      LEU  52  -3.341  -2.448  -1.592
  381   HD21  LEU  52          HD21      LEU  52  -2.040  -4.624  -3.369
  382   HD22  LEU  52          HD22      LEU  52  -3.055  -4.382  -4.794
  383   HD23  LEU  52          HD23      LEU  52  -3.786  -4.418  -3.190
  384    H    GLU  53           HN       GLU  53  -4.892   0.273  -6.225
  385    HA   GLU  53           HA       GLU  53  -7.688   0.149  -6.007
  386    HB2  GLU  53           HB2      GLU  53  -6.049   1.969  -7.804
  387    HB3  GLU  53           HB1      GLU  53  -7.727   2.202  -7.339
  388    HG2  GLU  53           HG2      GLU  53  -7.039   2.540  -5.030
  389    HG3  GLU  53           HG1      GLU  53  -5.342   2.316  -5.489
  390    H    SER  54           HN       SER  54  -5.557  -0.395  -8.773
  391    HA   SER  54           HA       SER  54  -7.568  -0.678 -10.735
  392    HB2  SER  54           HB2      SER  54  -4.786  -1.872 -10.674
  393    HB3  SER  54           HB1      SER  54  -5.821  -1.761 -12.101
  394    HG   SER  54           HG       SER  54  -4.791   0.410 -10.562
  395    H    ARG  55           HN       ARG  55  -5.981  -3.067  -8.635
  396    HA   ARG  55           HA       ARG  55  -7.294  -5.241  -9.943
  397    HB2  ARG  55           HB2      ARG  55  -5.100  -5.704  -9.039
  398    HB3  ARG  55           HB1      ARG  55  -5.597  -5.208  -7.429
  399    HG2  ARG  55           HG2      ARG  55  -7.121  -7.141  -7.295
  400    HG3  ARG  55           HG1      ARG  55  -6.675  -7.595  -8.929
  401    HD2  ARG  55           HD2      ARG  55  -4.681  -7.386  -6.691
  402    HD3  ARG  55           HD1      ARG  55  -5.547  -8.874  -7.062
  403    HE   ARG  55           HE       ARG  55  -4.308  -7.904  -9.405
  404   HH11  ARG  55          HH11      ARG  55  -3.459  -9.416  -6.319
  405   HH12  ARG  55          HH12      ARG  55  -2.048 -10.164  -6.904
  406   HH21  ARG  55          HH21      ARG  55  -2.490  -8.910 -10.218
  407   HH22  ARG  55          HH22      ARG  55  -1.438  -9.856  -9.249
  408    H    TYR  56           HN       TYR  56  -7.916  -3.459  -6.974
  409    HA   TYR  56           HA       TYR  56 -10.089  -5.329  -6.546
  410    HB2  TYR  56           HB2      TYR  56  -8.790  -3.418  -4.616
  411    HB3  TYR  56           HB1      TYR  56 -10.228  -4.358  -4.196
  412    HD1  TYR  56           HD1      TYR  56 -10.073  -6.928  -4.407
  413    HD2  TYR  56           HD2      TYR  56  -6.650  -4.389  -4.410
  414    HE1  TYR  56           HE1      TYR  56  -8.662  -8.832  -3.720
  415    HE2  TYR  56           HE2      TYR  56  -5.236  -6.302  -3.734
  416    HH   TYR  56           HH       TYR  56  -6.158  -9.512  -3.797
  417    H    GLY  57           HN       GLY  57  -9.677  -2.318  -7.853
  418    HA2  GLY  57           HA2      GLY  57 -11.293  -1.094  -8.956
  419    HA3  GLY  57           HA1      GLY  57 -12.521  -2.123  -8.225
  420    H    VAL  58           HN       VAL  58 -10.048   0.061  -6.819
  421    HA   VAL  58           HA       VAL  58 -12.295   1.341  -5.465
  422    HB   VAL  58           HB       VAL  58 -11.245   1.536  -3.414
  423   HG11  VAL  58          HG11      VAL  58 -11.969  -0.716  -3.814
  424   HG12  VAL  58          HG12      VAL  58 -10.588  -0.681  -2.722
  425   HG13  VAL  58          HG13      VAL  58 -10.356  -1.096  -4.429
  426   HG21  VAL  58          HG21      VAL  58  -8.581   0.697  -4.571
  427   HG22  VAL  58          HG22      VAL  58  -8.947   1.023  -2.858
  428   HG23  VAL  58          HG23      VAL  58  -9.033   2.328  -4.028
  429    H    SER  59           HN       SER  59 -11.327   3.579  -4.379
  430    HA   SER  59           HA       SER  59  -9.476   4.852  -6.165
  431    HB2  SER  59           HB2      SER  59 -12.309   5.915  -5.778
  432    HB3  SER  59           HB1      SER  59 -11.003   6.758  -6.613
  433    HG   SER  59           HG       SER  59 -11.135   4.389  -7.677
  434    H    ILE  60           HN       ILE  60  -8.087   5.729  -4.758
  435    HA   ILE  60           HA       ILE  60  -9.082   6.651  -2.166
  436    HB   ILE  60           HB       ILE  60  -6.316   5.888  -3.095
  437   HG12  ILE  60          HG12      ILE  60  -8.068   4.968  -0.827
  438   HG13  ILE  60          HG11      ILE  60  -7.763   4.101  -2.331
  439   HG21  ILE  60          HG21      ILE  60  -5.386   6.554  -0.915
  440   HG22  ILE  60          HG22      ILE  60  -6.921   7.340  -0.513
  441   HG23  ILE  60          HG23      ILE  60  -5.947   7.930  -1.869
  442   HD11  ILE  60          HD11      ILE  60  -5.420   3.816  -1.674
  443   HD12  ILE  60          HD12      ILE  60  -6.517   3.155  -0.477
  444   HD13  ILE  60          HD13      ILE  60  -5.729   4.711  -0.183
  445    HA   PRO  61           HA       PRO  61  -8.797  10.857  -3.583
  446    HB2  PRO  61           HB2      PRO  61  -9.681  11.491  -0.870
  447    HB3  PRO  61           HB1      PRO  61 -10.534  11.756  -2.390
  448    HG2  PRO  61           HG2      PRO  61 -11.342   9.947  -0.575
  449    HG3  PRO  61           HG1      PRO  61 -11.579   9.694  -2.311
  450    HD2  PRO  61           HD2      PRO  61  -9.479   8.552  -0.493
  451    HD3  PRO  61           HD1      PRO  61 -10.397   7.767  -1.795
  452    H    ASP  62           HN       ASP  62  -7.258  12.304  -3.387
  453    HA   ASP  62           HA       ASP  62  -4.821  11.913  -2.227
  454    HB2  ASP  62           HB2      ASP  62  -4.456  14.412  -2.513
  455    HB3  ASP  62           HB1      ASP  62  -4.969  13.514  -3.929
  456    H    ASP  63           HN       ASP  63  -7.322  13.962  -0.775
  457    HA   ASP  63           HA       ASP  63  -6.008  14.751   1.535
  458    HB2  ASP  63           HB2      ASP  63  -8.197  15.626   0.889
  459    HB3  ASP  63           HB1      ASP  63  -8.949  14.066   1.226
  460    H    VAL  64           HN       VAL  64  -7.544  11.689   0.884
  461    HA   VAL  64           HA       VAL  64  -7.425  10.836   3.651
  462    HB   VAL  64           HB       VAL  64  -8.291   9.221   1.222
  463   HG11  VAL  64          HG11      VAL  64  -9.470   7.785   2.840
  464   HG12  VAL  64          HG12      VAL  64  -8.825   8.753   4.160
  465   HG13  VAL  64          HG13      VAL  64  -7.736   7.813   3.155
  466   HG21  VAL  64          HG21      VAL  64  -9.977  10.823   3.146
  467   HG22  VAL  64          HG22      VAL  64 -10.597   9.761   1.892
  468   HG23  VAL  64          HG23      VAL  64  -9.692  11.197   1.446
  469    H    ALA  65           HN       ALA  65  -5.403  10.765   0.957
  470    HA   ALA  65           HA       ALA  65  -4.008   8.328   1.546
  471    HB1  ALA  65           HB1      ALA  65  -3.119  10.708  -0.069
  472    HB2  ALA  65           HB2      ALA  65  -3.985   9.302  -0.717
  473    HB3  ALA  65           HB3      ALA  65  -2.368   9.110  -0.068
  474    H    GLY  66           HN       GLY  66  -3.726  11.676   2.491
  475    HA2  GLY  66           HA2      GLY  66  -1.173  11.241   3.823
  476    HA3  GLY  66           HA1      GLY  66  -2.079  12.754   3.749
  477    H    ARG  67           HN       ARG  67  -3.381   9.684   4.755
  478    HA   ARG  67           HA       ARG  67  -3.633  10.790   7.475
  479    HB2  ARG  67           HB2      ARG  67  -5.457   8.748   6.186
  480    HB3  ARG  67           HB1      ARG  67  -5.649   9.474   7.773
  481    HG2  ARG  67           HG2      ARG  67  -5.843  10.933   5.128
  482    HG3  ARG  67           HG1      ARG  67  -7.188  10.442   6.137
  483    HD2  ARG  67           HD2      ARG  67  -5.026  12.346   6.997
  484    HD3  ARG  67           HD1      ARG  67  -6.589  12.845   6.343
  485    HE   ARG  67           HE       ARG  67  -6.797  11.111   8.611
  486   HH11  ARG  67          HH11      ARG  67  -6.468  14.525   7.597
  487   HH12  ARG  67          HH12      ARG  67  -7.067  15.134   9.065
  488   HH21  ARG  67          HH21      ARG  67  -7.740  12.053  10.612
  489   HH22  ARG  67          HH22      ARG  67  -7.825  13.753  10.736
  490    H    VAL  68           HN       VAL  68  -1.779   8.745   5.791
  491    HA   VAL  68           HA       VAL  68  -1.677   6.747   7.934
  492    HB   VAL  68           HB       VAL  68  -0.619   5.184   6.324
  493   HG11  VAL  68          HG11      VAL  68  -3.305   6.180   5.412
  494   HG12  VAL  68          HG12      VAL  68  -2.984   4.973   6.676
  495   HG13  VAL  68          HG13      VAL  68  -2.556   4.640   5.000
  496   HG21  VAL  68          HG21      VAL  68   0.337   6.803   4.761
  497   HG22  VAL  68          HG22      VAL  68  -1.282   7.245   4.204
  498   HG23  VAL  68          HG23      VAL  68  -0.661   5.626   3.915
  499    H    ASP  69           HN       ASP  69   0.580   5.633   7.917
  500    HA   ASP  69           HA       ASP  69   2.767   7.385   7.254
  501    HB2  ASP  69           HB2      ASP  69   2.238   8.087   9.569
  502    HB3  ASP  69           HB1      ASP  69   2.269   6.410  10.090
  503    H    THR  70           HN       THR  70   1.607   4.391   8.703
  504    HA   THR  70           HA       THR  70   3.864   3.004   7.438
  505    HB   THR  70           HB       THR  70   3.460   1.203   9.120
  506    HG1  THR  70           HG1      THR  70   1.611   3.138  10.064
  507   HG21  THR  70          HG21      THR  70   4.473   2.421  11.013
  508   HG22  THR  70          HG22      THR  70   4.015   3.948  10.231
  509   HG23  THR  70          HG23      THR  70   5.184   2.891   9.453
  510    HA   PRO  71           HA       PRO  71   1.196   0.514   4.794
  511    HB2  PRO  71           HB2      PRO  71   2.634  -1.780   6.079
  512    HB3  PRO  71           HB1      PRO  71   2.341  -1.480   4.347
  513    HG2  PRO  71           HG2      PRO  71   4.720  -0.981   5.267
  514    HG3  PRO  71           HG1      PRO  71   3.931   0.256   4.273
  515    HD2  PRO  71           HD2      PRO  71   4.226   0.156   7.256
  516    HD3  PRO  71           HD1      PRO  71   4.460   1.517   6.140
  517    H    ARG  72           HN       ARG  72   1.568  -0.373   8.155
  518    HA   ARG  72           HA       ARG  72  -0.464  -2.215   8.590
  519    HB2  ARG  72           HB2      ARG  72   1.157  -1.634  10.277
  520    HB3  ARG  72           HB1      ARG  72   0.583   0.025  10.318
  521    HG2  ARG  72           HG2      ARG  72  -1.577  -0.819  11.232
  522    HG3  ARG  72           HG1      ARG  72  -0.864  -2.430  11.320
  523    HD2  ARG  72           HD2      ARG  72  -0.707  -1.270  13.479
  524    HD3  ARG  72           HD1      ARG  72   0.885  -1.596  12.794
  525    HE   ARG  72           HE       ARG  72  -0.362   1.031  12.399
  526   HH11  ARG  72          HH11      ARG  72   2.262  -0.893  13.769
  527   HH12  ARG  72          HH12      ARG  72   3.304   0.393  14.104
  528   HH21  ARG  72          HH21      ARG  72   1.001   2.899  12.839
  529   HH22  ARG  72          HH22      ARG  72   2.509   2.668  13.566
  530    H    GLU  73           HN       GLU  73  -0.562   1.281   8.493
  531    HA   GLU  73           HA       GLU  73  -3.339   1.447   9.249
  532    HB2  GLU  73           HB2      GLU  73  -1.269   3.499   8.451
  533    HB3  GLU  73           HB1      GLU  73  -2.847   3.869   9.154
  534    HG2  GLU  73           HG2      GLU  73  -2.285   3.102  11.215
  535    HG3  GLU  73           HG1      GLU  73  -1.112   1.945  10.610
  536    H    LEU  74           HN       LEU  74  -1.410   1.511   6.400
  537    HA   LEU  74           HA       LEU  74  -3.254   2.667   4.545
  538    HB2  LEU  74           HB2      LEU  74  -0.670   2.280   4.376
  539    HB3  LEU  74           HB1      LEU  74  -1.094   0.650   3.901
  540    HG   LEU  74           HG       LEU  74  -1.759   3.185   2.374
  541   HD11  LEU  74          HD11      LEU  74  -0.182   2.371   0.723
  542   HD12  LEU  74          HD12      LEU  74   0.233   1.005   1.760
  543   HD13  LEU  74          HD13      LEU  74   0.584   2.664   2.275
  544   HD21  LEU  74          HD21      LEU  74  -3.457   1.478   2.051
  545   HD22  LEU  74          HD22      LEU  74  -2.237   0.301   1.568
  546   HD23  LEU  74          HD23      LEU  74  -2.525   1.739   0.577
  547    H    LEU  75           HN       LEU  75  -2.471  -0.620   5.541
  548    HA   LEU  75           HA       LEU  75  -3.924  -2.125   3.714
  549    HB2  LEU  75           HB2      LEU  75  -2.271  -2.977   5.330
  550    HB3  LEU  75           HB1      LEU  75  -3.423  -2.712   6.619
  551    HG   LEU  75           HG       LEU  75  -4.944  -4.374   5.531
  552   HD11  LEU  75          HD11      LEU  75  -4.018  -5.919   3.903
  553   HD12  LEU  75          HD12      LEU  75  -2.531  -4.983   3.855
  554   HD13  LEU  75          HD13      LEU  75  -4.041  -4.256   3.280
  555   HD21  LEU  75          HD21      LEU  75  -2.211  -5.365   6.380
  556   HD22  LEU  75          HD22      LEU  75  -3.694  -6.313   6.325
  557   HD23  LEU  75          HD23      LEU  75  -3.565  -4.959   7.439
  558    H    ASP  76           HN       ASP  76  -4.930  -1.246   7.024
  559    HA   ASP  76           HA       ASP  76  -7.530  -2.342   6.811
  560    HB2  ASP  76           HB2      ASP  76  -6.320  -1.889   8.968
  561    HB3  ASP  76           HB1      ASP  76  -6.643  -0.176   8.725
  562    H    LEU  77           HN       LEU  77  -6.237   0.758   6.059
  563    HA   LEU  77           HA       LEU  77  -8.593   2.271   5.896
  564    HB2  LEU  77           HB2      LEU  77  -6.366   3.285   5.852
  565    HB3  LEU  77           HB1      LEU  77  -6.011   2.544   4.321
  566    HG   LEU  77           HG       LEU  77  -7.798   3.925   3.279
  567   HD11  LEU  77          HD11      LEU  77  -8.645   5.838   4.512
  568   HD12  LEU  77          HD12      LEU  77  -7.834   5.244   5.965
  569   HD13  LEU  77          HD13      LEU  77  -9.136   4.300   5.224
  570   HD21  LEU  77          HD21      LEU  77  -5.618   5.442   4.722
  571   HD22  LEU  77          HD22      LEU  77  -6.500   5.993   3.302
  572   HD23  LEU  77          HD23      LEU  77  -5.438   4.598   3.186
  573    H    ILE  78           HN       ILE  78  -6.932   0.275   3.494
  574    HA   ILE  78           HA       ILE  78  -8.868   0.859   1.465
  575    HB   ILE  78           HB       ILE  78  -6.679  -1.233   1.561
  576   HG12  ILE  78          HG12      ILE  78  -6.962   1.396   0.099
  577   HG13  ILE  78          HG11      ILE  78  -5.836   1.012   1.396
  578   HG21  ILE  78          HG21      ILE  78  -8.521  -0.612  -0.748
  579   HG22  ILE  78          HG22      ILE  78  -8.442  -2.119   0.177
  580   HG23  ILE  78          HG23      ILE  78  -7.076  -1.629  -0.821
  581   HD11  ILE  78          HD11      ILE  78  -5.820  -0.167  -1.386
  582   HD12  ILE  78          HD12      ILE  78  -4.660  -0.548  -0.110
  583   HD13  ILE  78          HD13      ILE  78  -4.747   1.083  -0.783
  584    H    ASN  79           HN       ASN  79  -8.335  -1.727   3.746
  585    HA   ASN  79           HA       ASN  79 -10.242  -3.577   2.790
  586    HB2  ASN  79           HB2      ASN  79  -9.468  -3.119   5.702
  587    HB3  ASN  79           HB1      ASN  79 -10.321  -4.490   5.056
  588   HD21  ASN  79          HD21      ASN  79  -8.562  -4.608   2.657
  589   HD22  ASN  79          HD22      ASN  79  -7.105  -5.347   3.235
  590    H    GLY  80           HN       GLY  80 -10.587  -0.893   5.040
  591    HA2  GLY  80           HA2      GLY  80 -13.371  -1.341   5.478
  592    HA3  GLY  80           HA1      GLY  80 -12.480   0.127   5.887
  593    H    ALA  81           HN       ALA  81 -11.570   0.610   3.149
  594    HA   ALA  81           HA       ALA  81 -13.719   2.277   2.372
  595    HB1  ALA  81           HB1      ALA  81 -12.305   2.915   0.519
  596    HB2  ALA  81           HB2      ALA  81 -11.225   1.541   0.849
  597    HB3  ALA  81           HB3      ALA  81 -11.371   2.861   2.017
  598    H    LEU  82           HN       LEU  82 -12.686  -0.846   1.384
  599    HA   LEU  82           HA       LEU  82 -13.938  -1.279  -1.052
  600    HB2  LEU  82           HB2      LEU  82 -13.598  -3.139   1.294
  601    HB3  LEU  82           HB1      LEU  82 -14.200  -3.664  -0.263
  602    HG   LEU  82           HG       LEU  82 -11.485  -2.396   0.121
  603   HD11  LEU  82          HD11      LEU  82 -12.236  -5.315   0.004
  604   HD12  LEU  82          HD12      LEU  82 -11.617  -4.467   1.420
  605   HD13  LEU  82          HD13      LEU  82 -10.591  -4.688   0.014
  606   HD21  LEU  82          HD21      LEU  82 -11.043  -3.421  -2.061
  607   HD22  LEU  82          HD22      LEU  82 -12.405  -2.304  -2.144
  608   HD23  LEU  82          HD23      LEU  82 -12.676  -4.050  -2.103
  609    H    ALA  83           HN       ALA  83 -15.395  -1.339   2.189
  610    HA   ALA  83           HA       ALA  83 -17.841  -2.500   1.212
  611    HB1  ALA  83           HB1      ALA  83 -18.540  -2.540   3.504
  612    HB2  ALA  83           HB2      ALA  83 -17.180  -1.507   3.963
  613    HB3  ALA  83           HB3      ALA  83 -16.875  -3.135   3.366
  614    H    GLU  84           HN       GLU  84 -16.735   0.580   1.172
  615    HA   GLU  84           HA       GLU  84 -19.318   1.835   1.711
  616    HB2  GLU  84           HB2      GLU  84 -16.654   3.001   0.917
  617    HB3  GLU  84           HB1      GLU  84 -18.096   3.952   1.196
  618    HG2  GLU  84           HG2      GLU  84 -16.762   2.195   3.244
  619    HG3  GLU  84           HG1      GLU  84 -16.512   3.927   3.046
  620    H    ALA  85           HN       ALA  85 -17.701   0.455  -0.755
  621    HA   ALA  85           HA       ALA  85 -19.236   1.962  -2.750
  622    HB1  ALA  85           HB1      ALA  85 -16.753   0.262  -3.251
  623    HB2  ALA  85           HB2      ALA  85 -16.858   2.015  -3.247
  624    HB3  ALA  85           HB3      ALA  85 -17.696   1.094  -4.485
  625    H    ALA  86           HN       ALA  86 -18.017  -1.406  -3.050
  626    HA   ALA  86           HA       ALA  86 -20.121  -2.938  -2.523
  627    HB1  ALA  86           HB1      ALA  86 -20.257  -2.014  -5.419
  628    HB2  ALA  86           HB2      ALA  86 -21.507  -1.713  -4.208
  629    HB3  ALA  86           HB3      ALA  86 -21.168  -3.356  -4.746
  630   H28A  SXR 101          H28A      SXR  42   4.786   9.711  -7.338
  631   H28B  SXR 101          H28B      SXR  42   3.657  10.444  -6.251
  632   H30A  SXR 101          H30A      SXR  42   3.376  10.622 -10.069
  633   H30B  SXR 101          H30B      SXR  42   1.969  10.659  -9.017
  634   H30C  SXR 101          H30C      SXR  42   3.240   9.461  -8.733
  635   H31A  SXR 101          H31A      SXR  42   1.825  12.496  -8.284
  636   H31B  SXR 101          H31B      SXR  42   3.103  13.426  -7.481
  637   H31C  SXR 101          H31C      SXR  42   2.317  12.100  -6.642
  638   H32A  SXR 101          H32A      SXR  42   5.709  11.668  -9.130
  639   H33A  SXR 101          H33A      SXR  42   4.861  13.349  -7.319
  640   H36A  SXR 101          H36A      SXR  42   3.915  14.443  -9.402
  641   H37A  SXR 101          H37A      SXR  42   3.859  15.572 -11.661
  642   H37B  SXR 101          H37B      SXR  42   3.230  14.050 -12.270
  643   H38A  SXR 101          H38A      SXR  42   1.868  15.890 -10.290
  644   H38B  SXR 101          H38B      SXR  42   1.385  15.639 -11.965
  645   H41A  SXR 101          H41A      SXR  42   0.293  15.117  -9.134
  646   H42A  SXR 101          H42A      SXR  42  -1.310  12.823  -9.702
  647   H42B  SXR 101          H42B      SXR  42  -0.064  12.532  -8.493
  648   H43A  SXR 101          H43A      SXR  42  -2.256  14.630  -8.290
  649   H43B  SXR 101          H43B      SXR  42  -0.853  14.510  -7.227
  650   H11A  SXR 101          H11A      SXR  42  -0.554   8.317  -1.113
  651   H10A  SXR 101          H10A      SXR  42  -0.399   7.327   1.151
  652    H9A  SXR 101           H9A      SXR  42   1.346   8.090   2.729
  653    H8A  SXR 101           H8A      SXR  42   2.948   9.858   2.025
  654    H7A  SXR 101           H7A      SXR  42   2.794  10.836  -0.231
  655    H5A  SXR 101           H5A      SXR  42   1.817  10.827  -2.694
  656    H5B  SXR 101           H5B      SXR  42   1.459   9.349  -2.609
  657    H4A  SXR 101           H4A      SXR  42  -0.948   9.687  -3.176
  658    H4B  SXR 101           H4B      SXR  42  -0.774  10.213  -1.773
  659    H2A  SXR 101           H2A      SXR  42  -2.622  11.598  -4.416
  660    H2B  SXR 101           H2B      SXR  42  -2.143  12.865  -3.793
  661    H1A  SXR 101           H1A      SXR  42  -0.139  13.020  -5.869
  662    H1B  SXR 101           H1B      SXR  42  -0.632  11.582  -5.829
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1 -18.055 -10.854   0.778
    2    H2   MET   1           HT2      MET   1 -17.298 -11.632  -0.484
    3    H3   MET   1           HT3      MET   1 -18.938 -11.897  -0.217
    4    HA   MET   1           HA       MET   1 -18.590 -10.513  -2.113
    5    HB2  MET   1           HB2      MET   1 -20.086  -8.658  -1.543
    6    HB3  MET   1           HB1      MET   1 -20.650 -10.159  -0.836
    7    HG2  MET   1           HG2      MET   1 -19.881  -9.478   1.338
    8    HG3  MET   1           HG1      MET   1 -19.111  -8.048   0.659
    9    HE1  MET   1           HE1      MET   1 -22.166  -5.890  -0.461
   10    HE2  MET   1           HE2      MET   1 -21.252  -7.028  -1.447
   11    HE3  MET   1           HE3      MET   1 -20.409  -5.972  -0.314
   12    H    ALA   2           HN       ALA   2 -16.993  -9.186   0.786
   13    HA   ALA   2           HA       ALA   2 -15.767  -7.185  -0.948
   14    HB1  ALA   2           HB1      ALA   2 -15.915  -7.362   2.067
   15    HB2  ALA   2           HB2      ALA   2 -16.880  -6.296   1.043
   16    HB3  ALA   2           HB3      ALA   2 -15.133  -6.069   1.156
   17    H    THR   3           HN       THR   3 -13.872  -7.797  -1.716
   18    HA   THR   3           HA       THR   3 -12.407  -9.910  -0.386
   19    HB   THR   3           HB       THR   3 -11.703  -8.515  -2.975
   20    HG1  THR   3           HG1      THR   3 -13.786  -9.229  -3.234
   21   HG21  THR   3          HG21      THR   3 -11.187 -11.313  -1.926
   22   HG22  THR   3          HG22      THR   3 -10.002 -10.011  -1.988
   23   HG23  THR   3          HG23      THR   3 -10.651 -10.682  -3.483
   24    H    LEU   4           HN       LEU   4 -11.670  -8.689   1.441
   25    HA   LEU   4           HA       LEU   4 -10.102  -6.335   1.102
   26    HB2  LEU   4           HB2      LEU   4 -10.801  -8.102   3.401
   27    HB3  LEU   4           HB1      LEU   4  -9.396  -7.071   3.553
   28    HG   LEU   4           HG       LEU   4 -10.781  -5.086   3.286
   29   HD11  LEU   4          HD11      LEU   4 -13.138  -6.952   3.081
   30   HD12  LEU   4          HD12      LEU   4 -12.476  -5.956   1.777
   31   HD13  LEU   4          HD13      LEU   4 -13.183  -5.187   3.199
   32   HD21  LEU   4          HD21      LEU   4 -10.471  -5.970   5.515
   33   HD22  LEU   4          HD22      LEU   4 -11.870  -7.021   5.313
   34   HD23  LEU   4          HD23      LEU   4 -12.082  -5.269   5.350
   35    H    LEU   5           HN       LEU   5  -8.138  -6.244   0.516
   36    HA   LEU   5           HA       LEU   5  -6.493  -8.475  -0.018
   37    HB2  LEU   5           HB2      LEU   5  -4.660  -6.951  -0.409
   38    HB3  LEU   5           HB1      LEU   5  -6.111  -6.337  -1.173
   39    HG   LEU   5           HG       LEU   5  -5.440  -5.258   1.528
   40   HD11  LEU   5          HD11      LEU   5  -3.976  -4.506  -0.997
   41   HD12  LEU   5          HD12      LEU   5  -3.279  -5.298   0.421
   42   HD13  LEU   5          HD13      LEU   5  -3.890  -3.651   0.543
   43   HD21  LEU   5          HD21      LEU   5  -7.420  -4.391   0.407
   44   HD22  LEU   5          HD22      LEU   5  -6.484  -4.109  -1.051
   45   HD23  LEU   5          HD23      LEU   5  -6.158  -3.165   0.397
   46    H    THR   6           HN       THR   6  -4.770  -9.324   1.091
   47    HA   THR   6           HA       THR   6  -4.842  -8.661   3.905
   48    HB   THR   6           HB       THR   6  -3.666 -10.827   4.247
   49    HG1  THR   6           HG1      THR   6  -2.928 -11.930   2.593
   50   HG21  THR   6          HG21      THR   6  -6.110 -10.723   4.347
   51   HG22  THR   6          HG22      THR   6  -5.580 -12.256   3.657
   52   HG23  THR   6          HG23      THR   6  -6.201 -10.985   2.607
   53    H    THR   7           HN       THR   7  -2.368  -9.445   4.783
   54    HA   THR   7           HA       THR   7  -0.829  -7.202   4.106
   55    HB   THR   7           HB       THR   7   0.131  -9.673   5.543
   56    HG1  THR   7           HG1      THR   7  -0.906  -8.887   7.344
   57   HG21  THR   7          HG21      THR   7   1.392  -8.006   6.850
   58   HG22  THR   7          HG22      THR   7   0.683  -6.720   5.860
   59   HG23  THR   7          HG23      THR   7   1.775  -7.895   5.130
   60    H    ASP   8           HN       ASP   8  -1.139 -10.330   2.842
   61    HA   ASP   8           HA       ASP   8   1.462 -10.764   1.747
   62    HB2  ASP   8           HB2      ASP   8  -1.162 -11.908   0.773
   63    HB3  ASP   8           HB1      ASP   8   0.446 -12.588   0.545
   64    H    ASP   9           HN       ASP   9  -1.598  -9.521   0.585
   65    HA   ASP   9           HA       ASP   9  -0.804  -9.127  -2.105
   66    HB2  ASP   9           HB2      ASP   9  -3.025  -7.798  -0.545
   67    HB3  ASP   9           HB1      ASP   9  -2.794  -7.653  -2.279
   68    H    LEU  10           HN       LEU  10  -0.844  -7.133   0.744
   69    HA   LEU  10           HA       LEU  10  -0.085  -4.724  -0.520
   70    HB2  LEU  10           HB2      LEU  10  -1.103  -4.918   1.741
   71    HB3  LEU  10           HB1      LEU  10   0.399  -5.595   2.329
   72    HG   LEU  10           HG       LEU  10   1.539  -3.469   1.756
   73   HD11  LEU  10          HD11      LEU  10   0.047  -2.716  -0.007
   74   HD12  LEU  10          HD12      LEU  10   0.180  -1.499   1.262
   75   HD13  LEU  10          HD13      LEU  10  -1.260  -2.516   1.156
   76   HD21  LEU  10          HD21      LEU  10   0.737  -3.881   4.006
   77   HD22  LEU  10          HD22      LEU  10  -0.846  -3.235   3.577
   78   HD23  LEU  10          HD23      LEU  10   0.568  -2.176   3.588
   79    H    ARG  11           HN       ARG  11   1.706  -7.279   1.126
   80    HA   ARG  11           HA       ARG  11   4.295  -6.331   0.913
   81    HB2  ARG  11           HB2      ARG  11   3.844  -8.192   2.309
   82    HB3  ARG  11           HB1      ARG  11   3.092  -9.083   1.012
   83    HG2  ARG  11           HG2      ARG  11   5.148  -9.709   0.103
   84    HG3  ARG  11           HG1      ARG  11   6.024  -8.457   0.996
   85    HD2  ARG  11           HD2      ARG  11   6.283 -10.796   1.895
   86    HD3  ARG  11           HD1      ARG  11   5.747  -9.593   3.055
   87    HE   ARG  11           HE       ARG  11   3.922 -11.514   1.740
   88   HH11  ARG  11          HH11      ARG  11   5.087  -9.848   4.690
   89   HH12  ARG  11          HH12      ARG  11   3.898 -10.541   5.703
   90   HH21  ARG  11          HH21      ARG  11   2.282 -12.451   3.212
   91   HH22  ARG  11          HH22      ARG  11   2.292 -12.023   4.853
   92    H    ARG  12           HN       ARG  12   2.378  -8.083  -1.421
   93    HA   ARG  12           HA       ARG  12   4.426  -8.297  -3.378
   94    HB2  ARG  12           HB2      ARG  12   1.433  -8.492  -3.543
   95    HB3  ARG  12           HB1      ARG  12   2.489  -8.755  -4.923
   96    HG2  ARG  12           HG2      ARG  12   3.537 -10.626  -3.782
   97    HG3  ARG  12           HG1      ARG  12   2.552 -10.319  -2.351
   98    HD2  ARG  12           HD2      ARG  12   0.547 -10.836  -3.546
   99    HD3  ARG  12           HD1      ARG  12   1.433 -10.972  -5.067
  100    HE   ARG  12           HE       ARG  12   2.453 -12.751  -3.123
  101   HH11  ARG  12          HH11      ARG  12  -0.365 -12.327  -5.199
  102   HH12  ARG  12          HH12      ARG  12  -0.594 -13.974  -5.541
  103   HH21  ARG  12          HH21      ARG  12   2.136 -15.050  -3.481
  104   HH22  ARG  12          HH22      ARG  12   0.919 -15.590  -4.516
  105    H    ALA  13           HN       ALA  13   1.812  -6.005  -2.819
  106    HA   ALA  13           HA       ALA  13   1.978  -4.549  -5.190
  107    HB1  ALA  13           HB1      ALA  13   0.753  -2.797  -4.069
  108    HB2  ALA  13           HB2      ALA  13   1.136  -3.496  -2.494
  109    HB3  ALA  13           HB3      ALA  13   0.107  -4.375  -3.623
  110    H    LEU  14           HN       LEU  14   3.685  -3.939  -2.111
  111    HA   LEU  14           HA       LEU  14   5.001  -1.606  -2.924
  112    HB2  LEU  14           HB2      LEU  14   5.734  -3.707  -0.899
  113    HB3  LEU  14           HB1      LEU  14   6.862  -2.435  -1.275
  114    HG   LEU  14           HG       LEU  14   5.735  -1.890   0.757
  115   HD11  LEU  14          HD11      LEU  14   6.237  -0.019  -0.633
  116   HD12  LEU  14          HD12      LEU  14   4.734   0.265   0.256
  117   HD13  LEU  14          HD13      LEU  14   4.681  -0.168  -1.452
  118   HD21  LEU  14          HD21      LEU  14   3.330  -1.561   0.937
  119   HD22  LEU  14          HD22      LEU  14   3.713  -3.228   0.491
  120   HD23  LEU  14          HD23      LEU  14   3.126  -2.097  -0.729
  121    H    VAL  15           HN       VAL  15   5.983  -4.980  -3.220
  122    HA   VAL  15           HA       VAL  15   8.482  -4.550  -4.426
  123    HB   VAL  15           HB       VAL  15   6.614  -6.936  -4.743
  124   HG11  VAL  15          HG11      VAL  15   8.629  -8.202  -5.339
  125   HG12  VAL  15          HG12      VAL  15   9.577  -6.714  -5.293
  126   HG13  VAL  15          HG13      VAL  15   8.299  -6.914  -6.496
  127   HG21  VAL  15          HG21      VAL  15   7.989  -7.965  -2.993
  128   HG22  VAL  15          HG22      VAL  15   7.200  -6.497  -2.418
  129   HG23  VAL  15          HG23      VAL  15   8.912  -6.469  -2.840
  130    H    GLU  16           HN       GLU  16   5.268  -5.026  -5.846
  131    HA   GLU  16           HA       GLU  16   5.954  -4.966  -8.564
  132    HB2  GLU  16           HB2      GLU  16   3.438  -4.069  -7.169
  133    HB3  GLU  16           HB1      GLU  16   3.593  -4.154  -8.918
  134    HG2  GLU  16           HG2      GLU  16   3.858  -6.463  -7.008
  135    HG3  GLU  16           HG1      GLU  16   2.442  -6.087  -7.984
  136    H    SER  17           HN       SER  17   5.762  -2.396  -6.275
  137    HA   SER  17           HA       SER  17   5.485  -0.301  -8.217
  138    HB2  SER  17           HB2      SER  17   6.311  -0.129  -5.320
  139    HB3  SER  17           HB1      SER  17   5.710   1.191  -6.335
  140    HG   SER  17           HG       SER  17   4.264  -1.161  -5.650
  141    H    ALA  18           HN       ALA  18   8.095  -1.592  -6.191
  142    HA   ALA  18           HA       ALA  18  10.041   0.227  -7.258
  143    HB1  ALA  18           HB1      ALA  18  10.432  -2.239  -5.570
  144    HB2  ALA  18           HB2      ALA  18  10.196  -0.599  -4.962
  145    HB3  ALA  18           HB3      ALA  18  11.641  -0.998  -5.895
  146    H    GLY  19           HN       GLY  19   9.172  -3.141  -7.765
  147    HA2  GLY  19           HA2      GLY  19   9.441  -4.370  -9.673
  148    HA3  GLY  19           HA1      GLY  19  10.437  -3.088 -10.348
  149    H    GLU  20           HN       GLU  20  11.838  -4.691 -11.043
  150    HA   GLU  20           HA       GLU  20  13.272  -6.322  -9.151
  151    HB2  GLU  20           HB2      GLU  20  13.945  -5.852 -12.069
  152    HB3  GLU  20           HB1      GLU  20  14.528  -7.150 -11.053
  153    HG2  GLU  20           HG2      GLU  20  12.940  -8.217 -12.344
  154    HG3  GLU  20           HG1      GLU  20  12.013  -7.818 -10.900
  155    H    THR  21           HN       THR  21  13.492  -3.201 -10.421
  156    HA   THR  21           HA       THR  21  16.309  -2.956 -10.247
  157    HB   THR  21           HB       THR  21  15.786  -0.473 -10.607
  158    HG1  THR  21           HG1      THR  21  13.644  -0.424  -9.945
  159   HG21  THR  21          HG21      THR  21  15.279  -0.858 -12.980
  160   HG22  THR  21          HG22      THR  21  14.818  -2.520 -12.604
  161   HG23  THR  21          HG23      THR  21  16.489  -1.998 -12.387
  162    H    ASP  22           HN       ASP  22  16.482  -3.736  -8.062
  163    HA   ASP  22           HA       ASP  22  17.379  -3.340  -6.018
  164    HB2  ASP  22           HB2      ASP  22  17.165  -0.415  -6.763
  165    HB3  ASP  22           HB1      ASP  22  18.017  -1.029  -5.353
  166    H    GLY  23           HN       GLY  23  14.516  -3.606  -6.297
  167    HA2  GLY  23           HA2      GLY  23  13.213  -1.946  -4.382
  168    HA3  GLY  23           HA1      GLY  23  12.648  -3.519  -4.935
  169    H    THR  24           HN       THR  24  12.700  -2.443  -2.166
  170    HA   THR  24           HA       THR  24  14.824  -3.848  -0.889
  171    HB   THR  24           HB       THR  24  13.527  -3.035   1.205
  172    HG1  THR  24           HG1      THR  24  12.363  -0.993   0.276
  173   HG21  THR  24          HG21      THR  24  14.492  -0.788   0.960
  174   HG22  THR  24          HG22      THR  24  14.676  -1.060  -0.775
  175   HG23  THR  24          HG23      THR  24  15.605  -2.026   0.373
  176    H    ASP  25           HN       ASP  25  13.516  -4.735   1.472
  177    HA   ASP  25           HA       ASP  25  12.029  -7.042   0.429
  178    HB2  ASP  25           HB2      ASP  25  14.202  -7.769   1.277
  179    HB3  ASP  25           HB1      ASP  25  13.903  -6.954   2.810
  180    H    LEU  26           HN       LEU  26  10.077  -7.238   1.118
  181    HA   LEU  26           HA       LEU  26   9.246  -5.817   3.568
  182    HB2  LEU  26           HB2      LEU  26   7.733  -6.190   0.970
  183    HB3  LEU  26           HB1      LEU  26   6.987  -5.583   2.427
  184    HG   LEU  26           HG       LEU  26   7.297  -3.750   1.087
  185   HD11  LEU  26          HD11      LEU  26   9.651  -3.840   2.882
  186   HD12  LEU  26          HD12      LEU  26   8.004  -3.347   3.284
  187   HD13  LEU  26          HD13      LEU  26   8.972  -2.370   2.159
  188   HD21  LEU  26          HD21      LEU  26  10.089  -4.680   0.466
  189   HD22  LEU  26          HD22      LEU  26   9.346  -3.189  -0.135
  190   HD23  LEU  26          HD23      LEU  26   8.694  -4.767  -0.606
  191    H    SER  27           HN       SER  27  10.216  -8.529   3.189
  192    HA   SER  27           HA       SER  27   7.994 -10.267   2.848
  193    HB2  SER  27           HB2      SER  27  10.582 -10.615   2.401
  194    HB3  SER  27           HB1      SER  27  10.540 -11.224   4.058
  195    HG   SER  27           HG       SER  27   9.081 -12.074   1.818
  196    H    GLY  28           HN       GLY  28   9.641  -8.866   5.638
  197    HA2  GLY  28           HA2      GLY  28   8.243 -10.673   7.437
  198    HA3  GLY  28           HA1      GLY  28   9.427  -9.453   7.888
  199    H    ASP  29           HN       ASP  29   8.239  -8.401   9.430
  200    HA   ASP  29           HA       ASP  29   5.584  -7.490   8.698
  201    HB2  ASP  29           HB2      ASP  29   5.985  -8.251  11.032
  202    HB3  ASP  29           HB1      ASP  29   7.098  -6.896  11.243
  203    H    PHE  30           HN       PHE  30   5.848  -6.089   7.173
  204    HA   PHE  30           HA       PHE  30   7.536  -3.786   7.628
  205    HB2  PHE  30           HB2      PHE  30   7.242  -3.294   5.317
  206    HB3  PHE  30           HB1      PHE  30   7.650  -4.988   5.463
  207    HD1  PHE  30           HD1      PHE  30   5.659  -6.664   5.518
  208    HD2  PHE  30           HD2      PHE  30   5.358  -2.711   3.980
  209    HE1  PHE  30           HE1      PHE  30   3.699  -7.322   4.201
  210    HE2  PHE  30           HE2      PHE  30   3.406  -3.368   2.664
  211    HZ   PHE  30           HZ       PHE  30   2.501  -5.602   2.845
  212    H    LEU  31           HN       LEU  31   4.762  -4.591   8.792
  213    HA   LEU  31           HA       LEU  31   3.094  -2.464   7.810
  214    HB2  LEU  31           HB2      LEU  31   2.686  -4.369  10.103
  215    HB3  LEU  31           HB1      LEU  31   1.509  -3.175   9.589
  216    HG   LEU  31           HG       LEU  31   2.477  -5.538   7.977
  217   HD11  LEU  31          HD11      LEU  31   0.996  -6.132   9.805
  218   HD12  LEU  31          HD12      LEU  31   0.199  -6.336   8.245
  219   HD13  LEU  31          HD13      LEU  31  -0.179  -4.935   9.251
  220   HD21  LEU  31          HD21      LEU  31   0.418  -3.429   7.302
  221   HD22  LEU  31          HD22      LEU  31   0.764  -4.870   6.351
  222   HD23  LEU  31          HD23      LEU  31   1.995  -3.620   6.532
  223    H    ASP  32           HN       ASP  32   4.897  -3.198  10.783
  224    HA   ASP  32           HA       ASP  32   4.364  -0.470  11.655
  225    HB2  ASP  32           HB2      ASP  32   5.932  -2.681  13.014
  226    HB3  ASP  32           HB1      ASP  32   5.800  -1.056  13.665
  227    H    LEU  33           HN       LEU  33   6.186  -1.656   9.454
  228    HA   LEU  33           HA       LEU  33   8.580  -0.060   9.892
  229    HB2  LEU  33           HB2      LEU  33   7.625  -1.891   7.713
  230    HB3  LEU  33           HB1      LEU  33   8.973  -0.859   7.388
  231    HG   LEU  33           HG       LEU  33   8.836  -3.096   9.414
  232   HD11  LEU  33          HD11      LEU  33  10.453  -2.662   6.911
  233   HD12  LEU  33          HD12      LEU  33   9.081  -3.759   7.071
  234   HD13  LEU  33          HD13      LEU  33  10.571  -4.064   7.977
  235   HD21  LEU  33          HD21      LEU  33  11.069  -1.207   8.765
  236   HD22  LEU  33          HD22      LEU  33  11.191  -2.625   9.815
  237   HD23  LEU  33          HD23      LEU  33  10.176  -1.252  10.290
  238    H    ARG  34           HN       ARG  34   8.860   1.910   8.915
  239    HA   ARG  34           HA       ARG  34   6.479   2.876   7.609
  240    HB2  ARG  34           HB2      ARG  34   7.578   5.110   8.034
  241    HB3  ARG  34           HB1      ARG  34   6.793   4.297   9.388
  242    HG2  ARG  34           HG2      ARG  34   9.049   3.602  10.133
  243    HG3  ARG  34           HG1      ARG  34   9.740   4.506   8.777
  244    HD2  ARG  34           HD2      ARG  34   8.798   6.561   9.611
  245    HD3  ARG  34           HD1      ARG  34   7.974   5.693  10.903
  246    HE   ARG  34           HE       ARG  34  10.470   5.068  11.460
  247   HH11  ARG  34          HH11      ARG  34   9.264   8.254  10.403
  248   HH12  ARG  34          HH12      ARG  34  10.303   9.116  11.449
  249   HH21  ARG  34          HH21      ARG  34  11.851   6.285  12.890
  250   HH22  ARG  34          HH22      ARG  34  11.808   7.977  12.859
  251    H    PHE  35           HN       PHE  35   6.799   4.588   5.944
  252    HA   PHE  35           HA       PHE  35   8.045   3.258   3.790
  253    HB2  PHE  35           HB2      PHE  35   6.815   6.008   3.874
  254    HB3  PHE  35           HB1      PHE  35   7.315   5.177   2.406
  255    HD1  PHE  35           HD2      PHE  35   6.263   2.833   2.006
  256    HD2  PHE  35           HD1      PHE  35   4.664   5.751   4.659
  257    HE1  PHE  35           HE2      PHE  35   4.065   1.731   1.894
  258    HE2  PHE  35           HE1      PHE  35   2.472   4.654   4.550
  259    HZ   PHE  35           HZ       PHE  35   2.166   2.646   3.179
  260    H    GLU  36           HN       GLU  36   9.011   6.193   5.561
  261    HA   GLU  36           HA       GLU  36  11.181   6.689   3.797
  262    HB2  GLU  36           HB2      GLU  36  11.965   8.292   5.517
  263    HB3  GLU  36           HB1      GLU  36  10.288   8.551   5.089
  264    HG2  GLU  36           HG2      GLU  36  11.027   6.952   7.514
  265    HG3  GLU  36           HG1      GLU  36  11.018   8.712   7.558
  266    H    ASP  37           HN       ASP  37  10.632   4.673   6.452
  267    HA   ASP  37           HA       ASP  37  13.345   4.238   7.286
  268    HB2  ASP  37           HB2      ASP  37  11.274   3.766   8.651
  269    HB3  ASP  37           HB1      ASP  37  10.977   2.394   7.604
  270    H    ILE  38           HN       ILE  38  11.019   2.514   5.247
  271    HA   ILE  38           HA       ILE  38  12.998   0.585   4.453
  272    HB   ILE  38           HB       ILE  38  11.231  -0.376   2.968
  273   HG12  ILE  38          HG12      ILE  38   9.493   1.768   4.228
  274   HG13  ILE  38          HG11      ILE  38   9.962   1.692   2.537
  275   HG21  ILE  38          HG21      ILE  38  11.564  -1.225   5.208
  276   HG22  ILE  38          HG22      ILE  38   9.854  -1.257   4.791
  277   HG23  ILE  38          HG23      ILE  38  10.474  -0.005   5.866
  278   HD11  ILE  38          HD11      ILE  38   7.673   0.950   2.855
  279   HD12  ILE  38          HD12      ILE  38   8.214  -0.288   3.984
  280   HD13  ILE  38          HD13      ILE  38   8.687  -0.375   2.287
  281    H    GLY  39           HN       GLY  39  12.895   3.580   3.610
  282    HA2  GLY  39           HA2      GLY  39  13.951   4.734   1.940
  283    HA3  GLY  39           HA1      GLY  39  14.453   3.197   1.273
  284    H    TYR  40           HN       TYR  40  11.110   4.320   1.706
  285    HA   TYR  40           HA       TYR  40  10.835   4.152  -1.199
  286    HB2  TYR  40           HB2      TYR  40   8.800   3.777   1.005
  287    HB3  TYR  40           HB1      TYR  40   8.328   4.368  -0.559
  288    HD1  TYR  40           HD2      TYR  40  10.607   1.653   0.630
  289    HD2  TYR  40           HD1      TYR  40   7.454   2.871  -1.929
  290    HE1  TYR  40           HE2      TYR  40  10.522  -0.603  -0.312
  291    HE2  TYR  40           HE1      TYR  40   7.326   0.664  -2.886
  292    HH   TYR  40           HH       TYR  40   8.956  -2.039  -1.489
  293    H    ASP  41           HN       ASP  41   9.988   5.729  -2.385
  294    HA   ASP  41           HA       ASP  41   9.681   8.328  -1.079
  295    HB2  ASP  41           HB2      ASP  41   9.466   7.726  -4.043
  296    HB3  ASP  41           HB1      ASP  41   9.448   9.279  -3.293
  297    H    SER  42           HN       SER  42   7.840   9.528  -1.915
  298    HA   SER  42           HA       SER  42   5.473   7.982  -1.419
  299    HB2  SER  42           HB2      SER  42   4.420  10.326  -1.867
  300    HB3  SER  42           HB1      SER  42   5.332  10.001  -0.386
  301    H    LEU  43           HN       LEU  43   7.168   9.204  -4.097
  302    HA   LEU  43           HA       LEU  43   5.354   9.120  -6.200
  303    HB2  LEU  43           HB2      LEU  43   7.581   9.992  -6.448
  304    HB3  LEU  43           HB1      LEU  43   8.289   8.442  -6.048
  305    HG   LEU  43           HG       LEU  43   7.371   7.525  -8.168
  306   HD11  LEU  43          HD11      LEU  43   5.514   9.037  -8.481
  307   HD12  LEU  43          HD12      LEU  43   6.583   9.060  -9.883
  308   HD13  LEU  43          HD13      LEU  43   6.621  10.388  -8.721
  309   HD21  LEU  43          HD21      LEU  43   8.975   8.640  -9.633
  310   HD22  LEU  43          HD22      LEU  43   9.668   8.311  -8.042
  311   HD23  LEU  43          HD23      LEU  43   9.141   9.945  -8.457
  312    H    ALA  44           HN       ALA  44   7.416   6.539  -4.885
  313    HA   ALA  44           HA       ALA  44   6.397   4.537  -6.656
  314    HB1  ALA  44           HB1      ALA  44   8.016   4.235  -4.127
  315    HB2  ALA  44           HB2      ALA  44   8.680   4.423  -5.750
  316    HB3  ALA  44           HB3      ALA  44   7.755   2.983  -5.339
  317    H    LEU  45           HN       LEU  45   5.573   5.758  -3.556
  318    HA   LEU  45           HA       LEU  45   4.094   3.547  -2.581
  319    HB2  LEU  45           HB2      LEU  45   5.098   5.646  -1.457
  320    HB3  LEU  45           HB1      LEU  45   3.565   6.408  -1.848
  321    HG   LEU  45           HG       LEU  45   4.060   4.057  -0.020
  322   HD11  LEU  45          HD11      LEU  45   3.318   5.559   1.700
  323   HD12  LEU  45          HD12      LEU  45   3.202   6.867   0.504
  324   HD13  LEU  45          HD13      LEU  45   4.771   6.119   0.869
  325   HD21  LEU  45          HD21      LEU  45   1.896   3.810  -1.131
  326   HD22  LEU  45          HD22      LEU  45   1.445   5.442  -0.610
  327   HD23  LEU  45          HD23      LEU  45   1.733   4.169   0.586
  328    H    MET  46           HN       MET  46   3.257   6.473  -4.434
  329    HA   MET  46           HA       MET  46   0.496   6.146  -4.653
  330    HB2  MET  46           HB2      MET  46   2.353   7.020  -6.871
  331    HB3  MET  46           HB1      MET  46   0.618   7.309  -6.805
  332    HG2  MET  46           HG2      MET  46   1.021   8.632  -4.738
  333    HG3  MET  46           HG1      MET  46   2.737   8.439  -5.031
  334    HE1  MET  46           HE1      MET  46   3.988   9.290  -7.235
  335    HE2  MET  46           HE2      MET  46   3.197  10.198  -8.522
  336    HE3  MET  46           HE3      MET  46   2.789   8.499  -8.258
  337    H    GLU  47           HN       GLU  47   3.087   4.697  -6.527
  338    HA   GLU  47           HA       GLU  47   1.570   3.335  -8.433
  339    HB2  GLU  47           HB2      GLU  47   4.282   2.699  -7.284
  340    HB3  GLU  47           HB1      GLU  47   3.593   1.930  -8.705
  341    HG2  GLU  47           HG2      GLU  47   4.163   4.866  -8.436
  342    HG3  GLU  47           HG1      GLU  47   5.197   3.697  -9.264
  343    H    THR  48           HN       THR  48   2.659   2.409  -5.221
  344    HA   THR  48           HA       THR  48   1.992  -0.283  -5.148
  345    HB   THR  48           HB       THR  48   1.771   1.783  -2.944
  346    HG1  THR  48           HG1      THR  48   3.886   0.747  -4.322
  347   HG21  THR  48          HG21      THR  48   2.251  -1.204  -2.825
  348   HG22  THR  48          HG22      THR  48   0.777  -0.378  -2.324
  349   HG23  THR  48          HG23      THR  48   2.280  -0.114  -1.441
  350    H    ALA  49           HN       ALA  49   0.044   2.473  -4.017
  351    HA   ALA  49           HA       ALA  49  -2.260   1.027  -3.360
  352    HB1  ALA  49           HB1      ALA  49  -2.045   3.898  -4.214
  353    HB2  ALA  49           HB2      ALA  49  -1.814   3.282  -2.576
  354    HB3  ALA  49           HB3      ALA  49  -3.396   3.169  -3.348
  355    H    ALA  50           HN       ALA  50  -1.314   2.617  -6.364
  356    HA   ALA  50           HA       ALA  50  -3.660   2.468  -7.808
  357    HB1  ALA  50           HB1      ALA  50  -2.267   2.591  -9.808
  358    HB2  ALA  50           HB2      ALA  50  -0.856   2.128  -8.854
  359    HB3  ALA  50           HB3      ALA  50  -1.660   3.663  -8.544
  360    H    ARG  51           HN       ARG  51  -1.275  -0.050  -7.270
  361    HA   ARG  51           HA       ARG  51  -2.213  -1.918  -9.235
  362    HB2  ARG  51           HB2      ARG  51  -0.838  -2.658  -6.639
  363    HB3  ARG  51           HB1      ARG  51  -0.791  -3.547  -8.147
  364    HG2  ARG  51           HG2      ARG  51   0.509  -0.889  -7.592
  365    HG3  ARG  51           HG1      ARG  51   1.307  -2.449  -7.721
  366    HD2  ARG  51           HD2      ARG  51   1.018  -2.552 -10.023
  367    HD3  ARG  51           HD1      ARG  51  -0.313  -1.384 -10.008
  368    HE   ARG  51           HE       ARG  51   1.324   0.297  -9.410
  369   HH11  ARG  51          HH11      ARG  51   2.635  -2.652 -11.008
  370   HH12  ARG  51          HH12      ARG  51   3.951  -1.790 -11.646
  371   HH21  ARG  51          HH21      ARG  51   3.207   1.380 -10.455
  372   HH22  ARG  51          HH22      ARG  51   4.265   0.409 -11.338
  373    H    LEU  52           HN       LEU  52  -2.784  -1.418  -5.841
  374    HA   LEU  52           HA       LEU  52  -4.473  -3.655  -5.408
  375    HB2  LEU  52           HB2      LEU  52  -4.156  -1.119  -3.812
  376    HB3  LEU  52           HB1      LEU  52  -4.908  -2.601  -3.248
  377    HG   LEU  52           HG       LEU  52  -2.009  -2.351  -4.039
  378   HD11  LEU  52          HD11      LEU  52  -1.533  -2.504  -1.663
  379   HD12  LEU  52          HD12      LEU  52  -3.260  -2.457  -1.309
  380   HD13  LEU  52          HD13      LEU  52  -2.469  -1.062  -2.045
  381   HD21  LEU  52          HD21      LEU  52  -1.785  -4.557  -3.000
  382   HD22  LEU  52          HD22      LEU  52  -2.919  -4.597  -4.352
  383   HD23  LEU  52          HD23      LEU  52  -3.523  -4.586  -2.696
  384    H    GLU  53           HN       GLU  53  -5.030  -0.189  -5.928
  385    HA   GLU  53           HA       GLU  53  -7.797  -0.150  -5.722
  386    HB2  GLU  53           HB2      GLU  53  -5.992   1.516  -7.469
  387    HB3  GLU  53           HB1      GLU  53  -7.704   1.814  -7.249
  388    HG2  GLU  53           HG2      GLU  53  -7.280   2.155  -4.839
  389    HG3  GLU  53           HG1      GLU  53  -5.549   1.991  -5.171
  390    H    SER  54           HN       SER  54  -5.758  -0.716  -8.535
  391    HA   SER  54           HA       SER  54  -7.817  -0.875 -10.423
  392    HB2  SER  54           HB2      SER  54  -5.369  -0.474 -10.848
  393    HB3  SER  54           HB1      SER  54  -5.105  -2.183 -10.549
  394    HG   SER  54           HG       SER  54  -5.426  -2.286 -12.622
  395    H    ARG  55           HN       ARG  55  -6.258  -3.292  -8.403
  396    HA   ARG  55           HA       ARG  55  -7.463  -5.508  -9.751
  397    HB2  ARG  55           HB2      ARG  55  -5.366  -5.728  -8.416
  398    HB3  ARG  55           HB1      ARG  55  -6.320  -5.502  -6.954
  399    HG2  ARG  55           HG2      ARG  55  -7.726  -7.484  -7.798
  400    HG3  ARG  55           HG1      ARG  55  -6.378  -7.786  -8.890
  401    HD2  ARG  55           HD2      ARG  55  -6.252  -7.673  -5.887
  402    HD3  ARG  55           HD1      ARG  55  -6.236  -9.132  -6.871
  403    HE   ARG  55           HE       ARG  55  -4.126  -7.560  -7.718
  404   HH11  ARG  55          HH11      ARG  55  -5.157  -9.213  -4.730
  405   HH12  ARG  55          HH12      ARG  55  -3.618  -9.549  -4.163
  406   HH21  ARG  55          HH21      ARG  55  -1.926  -7.928  -6.898
  407   HH22  ARG  55          HH22      ARG  55  -1.732  -8.860  -5.469
  408    H    TYR  56           HN       TYR  56  -8.210  -3.818  -6.718
  409    HA   TYR  56           HA       TYR  56 -10.429  -5.634  -6.354
  410    HB2  TYR  56           HB2      TYR  56  -9.257  -3.594  -4.479
  411    HB3  TYR  56           HB1      TYR  56 -10.666  -4.581  -4.096
  412    HD1  TYR  56           HD1      TYR  56 -10.338  -7.182  -4.353
  413    HD2  TYR  56           HD2      TYR  56  -7.152  -4.386  -3.974
  414    HE1  TYR  56           HE1      TYR  56  -8.858  -8.976  -3.541
  415    HE2  TYR  56           HE2      TYR  56  -5.671  -6.171  -3.179
  416    HH   TYR  56           HH       TYR  56  -6.336  -9.442  -3.408
  417    H    GLY  57           HN       GLY  57 -10.016  -2.422  -7.460
  418    HA2  GLY  57           HA2      GLY  57 -11.718  -1.272  -8.591
  419    HA3  GLY  57           HA1      GLY  57 -12.907  -2.308  -7.804
  420    H    VAL  58           HN       VAL  58 -10.329  -0.304  -6.488
  421    HA   VAL  58           HA       VAL  58 -12.389   1.171  -5.070
  422    HB   VAL  58           HB       VAL  58 -11.527  -0.120  -3.474
  423   HG11  VAL  58          HG11      VAL  58  -9.059  -0.318  -2.848
  424   HG12  VAL  58          HG12      VAL  58  -8.704   0.666  -4.272
  425   HG13  VAL  58          HG13      VAL  58  -9.436  -0.925  -4.462
  426   HG21  VAL  58          HG21      VAL  58 -10.341   1.332  -1.784
  427   HG22  VAL  58          HG22      VAL  58 -11.772   2.042  -2.524
  428   HG23  VAL  58          HG23      VAL  58 -10.162   2.535  -3.059
  429    H    SER  59           HN       SER  59 -11.856   3.112  -4.437
  430    HA   SER  59           HA       SER  59  -9.987   4.562  -6.223
  431    HB2  SER  59           HB2      SER  59 -12.785   5.457  -5.499
  432    HB3  SER  59           HB1      SER  59 -11.641   6.362  -6.486
  433    HG   SER  59           HG       SER  59 -12.968   3.938  -7.066
  434    H    ILE  60           HN       ILE  60  -8.447   5.305  -4.908
  435    HA   ILE  60           HA       ILE  60  -9.163   6.384  -2.291
  436    HB   ILE  60           HB       ILE  60  -6.416   5.923  -3.518
  437   HG12  ILE  60          HG12      ILE  60  -7.906   4.280  -1.453
  438   HG13  ILE  60          HG11      ILE  60  -7.679   3.830  -3.137
  439   HG21  ILE  60          HG21      ILE  60  -7.222   6.585  -0.674
  440   HG22  ILE  60          HG22      ILE  60  -6.411   7.674  -1.803
  441   HG23  ILE  60          HG23      ILE  60  -5.585   6.220  -1.226
  442   HD11  ILE  60          HD11      ILE  60  -5.496   4.195  -1.096
  443   HD12  ILE  60          HD12      ILE  60  -5.259   3.751  -2.781
  444   HD13  ILE  60          HD13      ILE  60  -6.118   2.658  -1.695
  445    HA   PRO  61           HA       PRO  61  -8.967  10.380  -4.427
  446    HB2  PRO  61           HB2      PRO  61 -10.096  11.468  -1.969
  447    HB3  PRO  61           HB1      PRO  61 -10.839  11.348  -3.563
  448    HG2  PRO  61           HG2      PRO  61 -11.658   9.888  -1.419
  449    HG3  PRO  61           HG1      PRO  61 -11.832   9.344  -3.096
  450    HD2  PRO  61           HD2      PRO  61  -9.789   8.584  -1.049
  451    HD3  PRO  61           HD1      PRO  61 -10.621   7.566  -2.246
  452    H    ASP  62           HN       ASP  62  -7.851  12.393  -3.986
  453    HA   ASP  62           HA       ASP  62  -5.360  12.092  -2.815
  454    HB2  ASP  62           HB2      ASP  62  -5.019  14.525  -3.147
  455    HB3  ASP  62           HB1      ASP  62  -5.706  13.755  -4.561
  456    H    ASP  63           HN       ASP  63  -8.266  13.368  -1.414
  457    HA   ASP  63           HA       ASP  63  -7.238  14.485   0.957
  458    HB2  ASP  63           HB2      ASP  63  -9.520  14.865   0.224
  459    HB3  ASP  63           HB1      ASP  63  -9.899  13.159   0.396
  460    H    VAL  64           HN       VAL  64  -8.012  11.196   0.109
  461    HA   VAL  64           HA       VAL  64  -7.719  10.279   2.829
  462    HB   VAL  64           HB       VAL  64  -8.375   8.726   0.304
  463   HG11  VAL  64          HG11      VAL  64  -7.405   7.239   1.979
  464   HG12  VAL  64          HG12      VAL  64  -9.133   6.940   1.799
  465   HG13  VAL  64          HG13      VAL  64  -8.535   7.853   3.186
  466   HG21  VAL  64          HG21      VAL  64 -10.146   9.724   2.524
  467   HG22  VAL  64          HG22      VAL  64 -10.657   8.692   1.188
  468   HG23  VAL  64          HG23      VAL  64 -10.089  10.334   0.869
  469    H    ALA  65           HN       ALA  65  -5.721  10.733   0.156
  470    HA   ALA  65           HA       ALA  65  -3.917   8.538   0.520
  471    HB1  ALA  65           HB1      ALA  65  -3.477  11.137  -0.958
  472    HB2  ALA  65           HB2      ALA  65  -4.197   9.679  -1.640
  473    HB3  ALA  65           HB3      ALA  65  -2.518   9.662  -1.108
  474    H    GLY  66           HN       GLY  66  -4.036  11.799   1.751
  475    HA2  GLY  66           HA2      GLY  66  -1.341  11.608   2.822
  476    HA3  GLY  66           HA1      GLY  66  -2.423  12.983   2.969
  477    H    ARG  67           HN       ARG  67  -2.953   9.620   3.858
  478    HA   ARG  67           HA       ARG  67  -3.165  10.455   6.694
  479    HB2  ARG  67           HB2      ARG  67  -4.941   8.423   5.324
  480    HB3  ARG  67           HB1      ARG  67  -5.036   8.928   7.000
  481    HG2  ARG  67           HG2      ARG  67  -5.704  11.175   6.282
  482    HG3  ARG  67           HG1      ARG  67  -5.622  10.654   4.594
  483    HD2  ARG  67           HD2      ARG  67  -7.278   8.872   5.160
  484    HD3  ARG  67           HD1      ARG  67  -7.448   9.610   6.747
  485    HE   ARG  67           HE       ARG  67  -7.874  11.440   4.591
  486   HH11  ARG  67          HH11      ARG  67  -9.476   9.101   6.772
  487   HH12  ARG  67          HH12      ARG  67 -11.042   9.602   6.364
  488   HH21  ARG  67          HH21      ARG  67 -10.118  12.066   4.017
  489   HH22  ARG  67          HH22      ARG  67 -11.406  11.254   4.772
  490    H    VAL  68           HN       VAL  68  -1.210   8.852   4.801
  491    HA   VAL  68           HA       VAL  68  -1.162   6.400   6.414
  492    HB   VAL  68           HB       VAL  68   0.090   5.343   4.498
  493   HG11  VAL  68          HG11      VAL  68  -2.262   4.921   4.895
  494   HG12  VAL  68          HG12      VAL  68  -1.929   4.976   3.164
  495   HG13  VAL  68          HG13      VAL  68  -2.697   6.352   3.957
  496   HG21  VAL  68          HG21      VAL  68   0.819   7.423   3.375
  497   HG22  VAL  68          HG22      VAL  68  -0.868   7.785   2.980
  498   HG23  VAL  68          HG23      VAL  68  -0.088   6.372   2.287
  499    H    ASP  69           HN       ASP  69   0.367   6.274   7.878
  500    HA   ASP  69           HA       ASP  69   2.932   7.642   7.491
  501    HB2  ASP  69           HB2      ASP  69   1.806   6.115   9.855
  502    HB3  ASP  69           HB1      ASP  69   3.449   6.715   9.795
  503    H    THR  70           HN       THR  70   1.686   4.427   8.268
  504    HA   THR  70           HA       THR  70   4.089   3.240   7.050
  505    HB   THR  70           HB       THR  70   3.807   1.399   8.673
  506    HG1  THR  70           HG1      THR  70   1.664   3.016   9.707
  507   HG21  THR  70          HG21      THR  70   5.229   3.292   9.319
  508   HG22  THR  70          HG22      THR  70   4.414   2.593  10.731
  509   HG23  THR  70          HG23      THR  70   3.820   4.095  10.017
  510    HA   PRO  71           HA       PRO  71   1.400   0.645   4.433
  511    HB2  PRO  71           HB2      PRO  71   2.786  -1.640   5.772
  512    HB3  PRO  71           HB1      PRO  71   2.487  -1.364   4.043
  513    HG2  PRO  71           HG2      PRO  71   4.885  -0.917   4.990
  514    HG3  PRO  71           HG1      PRO  71   4.147   0.284   3.906
  515    HD2  PRO  71           HD2      PRO  71   4.410   0.334   6.889
  516    HD3  PRO  71           HD1      PRO  71   4.684   1.641   5.719
  517    H    ARG  72           HN       ARG  72   1.697   0.083   7.870
  518    HA   ARG  72           HA       ARG  72  -0.398  -1.701   8.343
  519    HB2  ARG  72           HB2      ARG  72   1.240  -0.964  10.012
  520    HB3  ARG  72           HB1      ARG  72   0.577   0.656   9.958
  521    HG2  ARG  72           HG2      ARG  72  -1.538  -0.252  10.870
  522    HG3  ARG  72           HG1      ARG  72  -0.735  -1.825  11.037
  523    HD2  ARG  72           HD2      ARG  72  -0.648  -0.560  13.127
  524    HD3  ARG  72           HD1      ARG  72   0.967  -0.814  12.460
  525    HE   ARG  72           HE       ARG  72  -0.240   1.650  11.628
  526   HH11  ARG  72          HH11      ARG  72   1.944   0.200  14.026
  527   HH12  ARG  72          HH12      ARG  72   2.385   1.720  14.664
  528   HH21  ARG  72          HH21      ARG  72   0.416   3.588  12.409
  529   HH22  ARG  72          HH22      ARG  72   1.495   3.734  13.733
  530    H    GLU  73           HN       GLU  73  -0.341   1.852   8.189
  531    HA   GLU  73           HA       GLU  73  -3.144   2.219   8.418
  532    HB2  GLU  73           HB2      GLU  73  -1.027   4.033   7.244
  533    HB3  GLU  73           HB1      GLU  73  -2.717   4.472   7.328
  534    HG2  GLU  73           HG2      GLU  73  -1.532   5.519   9.117
  535    HG3  GLU  73           HG1      GLU  73  -2.595   4.289   9.788
  536    H    LEU  74           HN       LEU  74  -0.926   1.937   5.742
  537    HA   LEU  74           HA       LEU  74  -2.624   2.627   3.622
  538    HB2  LEU  74           HB2      LEU  74  -0.076   2.151   3.656
  539    HB3  LEU  74           HB1      LEU  74  -0.529   0.481   3.404
  540    HG   LEU  74           HG       LEU  74  -1.737   1.298   1.271
  541   HD11  LEU  74          HD11      LEU  74  -1.912   3.579   1.893
  542   HD12  LEU  74          HD12      LEU  74  -1.040   3.365   0.364
  543   HD13  LEU  74          HD13      LEU  74  -0.157   3.746   1.844
  544   HD21  LEU  74          HD21      LEU  74   0.321   1.356  -0.012
  545   HD22  LEU  74          HD22      LEU  74   0.429   0.118   1.246
  546   HD23  LEU  74          HD23      LEU  74   1.254   1.666   1.456
  547    H    LEU  75           HN       LEU  75  -1.952  -0.549   5.043
  548    HA   LEU  75           HA       LEU  75  -3.648  -2.114   3.423
  549    HB2  LEU  75           HB2      LEU  75  -1.846  -2.993   4.880
  550    HB3  LEU  75           HB1      LEU  75  -2.780  -2.533   6.287
  551    HG   LEU  75           HG       LEU  75  -4.544  -4.160   5.559
  552   HD11  LEU  75          HD11      LEU  75  -3.936  -5.867   3.937
  553   HD12  LEU  75          HD12      LEU  75  -2.439  -5.008   3.592
  554   HD13  LEU  75          HD13      LEU  75  -3.994  -4.265   3.196
  555   HD21  LEU  75          HD21      LEU  75  -1.785  -5.280   6.055
  556   HD22  LEU  75          HD22      LEU  75  -3.305  -6.142   6.283
  557   HD23  LEU  75          HD23      LEU  75  -2.931  -4.742   7.284
  558    H    ASP  76           HN       ASP  76  -4.052  -0.835   6.685
  559    HA   ASP  76           HA       ASP  76  -6.630  -1.715   7.255
  560    HB2  ASP  76           HB2      ASP  76  -5.027  -0.863   8.900
  561    HB3  ASP  76           HB1      ASP  76  -5.171   0.746   8.227
  562    H    LEU  77           HN       LEU  77  -5.558   1.366   5.913
  563    HA   LEU  77           HA       LEU  77  -7.983   2.719   5.765
  564    HB2  LEU  77           HB2      LEU  77  -5.745   3.714   5.498
  565    HB3  LEU  77           HB1      LEU  77  -5.586   2.908   3.959
  566    HG   LEU  77           HG       LEU  77  -7.502   4.243   3.113
  567   HD11  LEU  77          HD11      LEU  77  -8.179   6.208   4.399
  568   HD12  LEU  77          HD12      LEU  77  -7.155   5.661   5.734
  569   HD13  LEU  77          HD13      LEU  77  -8.553   4.700   5.245
  570   HD21  LEU  77          HD21      LEU  77  -5.142   5.784   4.191
  571   HD22  LEU  77          HD22      LEU  77  -6.207   6.304   2.881
  572   HD23  LEU  77          HD23      LEU  77  -5.190   4.878   2.678
  573    H    ILE  78           HN       ILE  78  -6.323   0.711   3.330
  574    HA   ILE  78           HA       ILE  78  -8.351   1.151   1.381
  575    HB   ILE  78           HB       ILE  78  -6.180  -0.970   1.441
  576   HG12  ILE  78          HG12      ILE  78  -6.344   1.702   0.017
  577   HG13  ILE  78          HG11      ILE  78  -5.300   1.306   1.376
  578   HG21  ILE  78          HG21      ILE  78  -6.615  -1.187  -0.997
  579   HG22  ILE  78          HG22      ILE  78  -8.038  -0.148  -0.814
  580   HG23  ILE  78          HG23      ILE  78  -7.951  -1.710   0.016
  581   HD11  ILE  78          HD11      ILE  78  -4.057   1.340  -0.707
  582   HD12  ILE  78          HD12      ILE  78  -5.136   0.139  -1.398
  583   HD13  ILE  78          HD13      ILE  78  -4.089  -0.294  -0.045
  584    H    ASN  79           HN       ASN  79  -7.703  -1.334   3.760
  585    HA   ASN  79           HA       ASN  79  -9.681  -3.171   2.911
  586    HB2  ASN  79           HB2      ASN  79  -8.385  -2.710   5.585
  587    HB3  ASN  79           HB1      ASN  79  -9.717  -3.832   5.400
  588   HD21  ASN  79          HD21      ASN  79  -7.311  -3.378   2.903
  589   HD22  ASN  79          HD22      ASN  79  -6.574  -4.931   3.090
  590    H    GLY  80           HN       GLY  80  -9.819  -0.409   5.085
  591    HA2  GLY  80           HA2      GLY  80 -12.540  -0.721   5.765
  592    HA3  GLY  80           HA1      GLY  80 -11.605   0.769   5.867
  593    H    ALA  81           HN       ALA  81 -10.899   1.267   3.326
  594    HA   ALA  81           HA       ALA  81 -13.145   2.592   2.317
  595    HB1  ALA  81           HB1      ALA  81 -10.582   1.933   0.863
  596    HB2  ALA  81           HB2      ALA  81 -10.826   3.318   1.921
  597    HB3  ALA  81           HB3      ALA  81 -11.739   3.188   0.417
  598    H    LEU  82           HN       LEU  82 -11.744  -0.468   1.495
  599    HA   LEU  82           HA       LEU  82 -13.187  -1.026  -0.836
  600    HB2  LEU  82           HB2      LEU  82 -12.067  -2.854   1.270
  601    HB3  LEU  82           HB1      LEU  82 -12.955  -3.486  -0.099
  602    HG   LEU  82           HG       LEU  82 -10.441  -1.832  -0.322
  603   HD11  LEU  82          HD11      LEU  82 -10.855  -4.822  -0.532
  604   HD12  LEU  82          HD12      LEU  82  -9.980  -3.976   0.749
  605   HD13  LEU  82          HD13      LEU  82  -9.364  -3.958  -0.902
  606   HD21  LEU  82          HD21      LEU  82 -11.913  -1.693  -2.264
  607   HD22  LEU  82          HD22      LEU  82 -11.989  -3.454  -2.341
  608   HD23  LEU  82          HD23      LEU  82 -10.461  -2.621  -2.634
  609    H    ALA  83           HN       ALA  83 -14.054  -1.849   2.524
  610    HA   ALA  83           HA       ALA  83 -16.574  -2.860   1.581
  611    HB1  ALA  83           HB1      ALA  83 -17.050  -3.448   3.836
  612    HB2  ALA  83           HB2      ALA  83 -15.631  -2.555   4.424
  613    HB3  ALA  83           HB3      ALA  83 -15.435  -3.985   3.389
  614    H    GLU  84           HN       GLU  84 -15.481   0.197   2.314
  615    HA   GLU  84           HA       GLU  84 -17.965   1.249   3.259
  616    HB2  GLU  84           HB2      GLU  84 -15.717   2.673   1.797
  617    HB3  GLU  84           HB1      GLU  84 -17.068   3.472   2.573
  618    HG2  GLU  84           HG2      GLU  84 -14.890   1.882   3.912
  619    HG3  GLU  84           HG1      GLU  84 -15.107   3.627   3.959
  620    H    ALA  85           HN       ALA  85 -16.501   0.633   0.169
  621    HA   ALA  85           HA       ALA  85 -18.786   1.731  -1.277
  622    HB1  ALA  85           HB1      ALA  85 -17.460   1.318  -3.285
  623    HB2  ALA  85           HB2      ALA  85 -16.214   0.536  -2.310
  624    HB3  ALA  85           HB3      ALA  85 -16.550   2.257  -2.103
  625    H    ALA  86           HN       ALA  86 -17.329  -1.327  -0.425
  626    HA   ALA  86           HA       ALA  86 -18.942  -2.887  -2.181
  627    HB1  ALA  86           HB1      ALA  86 -16.727  -3.672  -1.461
  628    HB2  ALA  86           HB2      ALA  86 -17.995  -4.815  -1.020
  629    HB3  ALA  86           HB3      ALA  86 -17.303  -3.755   0.203
  630   H28A  SXR 101          H28A      SXR  42   3.456  11.804  -4.404
  631   H28B  SXR 101          H28B      SXR  42   3.626  10.634  -3.102
  632   H30A  SXR 101          H30A      SXR  42   0.908  13.787  -3.391
  633   H30B  SXR 101          H30B      SXR  42   2.637  13.878  -3.756
  634   H30C  SXR 101          H30C      SXR  42   2.074  14.077  -2.095
  635   H31A  SXR 101          H31A      SXR  42   1.326  11.070  -4.569
  636   H31B  SXR 101          H31B      SXR  42   0.109  12.036  -3.730
  637   H31C  SXR 101          H31C      SXR  42   0.617  10.483  -3.060
  638   H32A  SXR 101          H32A      SXR  42   2.728  12.188  -0.716
  639   H33A  SXR 101          H33A      SXR  42   1.113  10.053  -0.836
  640   H36A  SXR 101          H36A      SXR  42   1.397  13.756   0.092
  641   H37A  SXR 101          H37A      SXR  42  -1.501  13.160   0.398
  642   H37B  SXR 101          H37B      SXR  42  -0.520  13.846   1.691
  643   H38A  SXR 101          H38A      SXR  42  -1.897  15.568   0.638
  644   H38B  SXR 101          H38B      SXR  42  -0.188  15.883   0.351
  645   H41A  SXR 101          H41A      SXR  42  -1.327  13.327  -1.487
  646   H42A  SXR 101          H42A      SXR  42  -1.898  14.912  -3.900
  647   H42B  SXR 101          H42B      SXR  42  -0.772  13.584  -3.886
  648   H43A  SXR 101          H43A      SXR  42  -3.700  13.361  -3.332
  649   H43B  SXR 101          H43B      SXR  42  -2.520  12.077  -3.096
  650   H11A  SXR 101          H11A      SXR  42  -3.873   5.679  -2.444
  651   H10A  SXR 101          H10A      SXR  42  -3.445   5.556  -0.017
  652    H9A  SXR 101           H9A      SXR  42  -1.348   6.496   0.918
  653    H8A  SXR 101           H8A      SXR  42   0.314   7.556  -0.587
  654    H7A  SXR 101           H7A      SXR  42  -0.122   7.670  -3.020
  655    H5A  SXR 101           H5A      SXR  42  -2.468   5.922  -5.048
  656    H5B  SXR 101           H5B      SXR  42  -3.371   6.761  -4.170
  657    H4A  SXR 101           H4A      SXR  42  -1.296   8.792  -4.474
  658    H4B  SXR 101           H4B      SXR  42  -0.910   7.582  -5.291
  659    H2A  SXR 101           H2A      SXR  42  -2.281  10.565  -7.203
  660    H2B  SXR 101           H2B      SXR  42  -3.636  10.009  -6.929
  661    H1A  SXR 101           H1A      SXR  42  -3.231  10.497  -4.142
  662    H1B  SXR 101           H1B      SXR  42  -1.858  10.539  -4.801
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1 -18.780 -12.025  -2.792
    2    H2   MET   1           HT2      MET   1 -18.017 -12.407  -1.352
    3    H3   MET   1           HT3      MET   1 -17.180 -11.528  -2.541
    4    HA   MET   1           HA       MET   1 -18.670  -9.701  -2.314
    5    HB2  MET   1           HB2      MET   1 -20.651 -10.976  -1.555
    6    HB3  MET   1           HB1      MET   1 -19.855 -11.331  -0.045
    7    HG2  MET   1           HG2      MET   1 -19.919  -9.013   0.603
    8    HG3  MET   1           HG1      MET   1 -20.553  -8.552  -0.970
    9    HE1  MET   1           HE1      MET   1 -24.138 -10.141  -0.914
   10    HE2  MET   1           HE2      MET   1 -22.668 -10.845  -1.584
   11    HE3  MET   1           HE3      MET   1 -23.016  -9.129  -1.825
   12    H    ALA   2           HN       ALA   2 -17.779 -11.438   0.735
   13    HA   ALA   2           HA       ALA   2 -16.340  -9.085   1.550
   14    HB1  ALA   2           HB1      ALA   2 -17.566 -10.380   3.240
   15    HB2  ALA   2           HB2      ALA   2 -15.840 -10.374   3.581
   16    HB3  ALA   2           HB3      ALA   2 -16.585 -11.809   2.863
   17    H    THR   3           HN       THR   3 -14.803  -8.906   0.038
   18    HA   THR   3           HA       THR   3 -12.810 -11.059  -0.142
   19    HB   THR   3           HB       THR   3 -13.548  -9.003  -2.257
   20    HG1  THR   3           HG1      THR   3 -14.321 -11.745  -1.927
   21   HG21  THR   3          HG21      THR   3 -12.279 -10.486  -3.766
   22   HG22  THR   3          HG22      THR   3 -11.907 -11.557  -2.413
   23   HG23  THR   3          HG23      THR   3 -11.251  -9.924  -2.439
   24    H    LEU   4           HN       LEU   4 -11.702 -10.096   1.635
   25    HA   LEU   4           HA       LEU   4 -10.639  -7.391   1.232
   26    HB2  LEU   4           HB2      LEU   4 -10.618  -9.099   3.731
   27    HB3  LEU   4           HB1      LEU   4  -9.957  -7.488   3.594
   28    HG   LEU   4           HG       LEU   4 -11.928  -7.250   4.770
   29   HD11  LEU   4          HD11      LEU   4 -12.605  -6.519   1.939
   30   HD12  LEU   4          HD12      LEU   4 -11.734  -5.546   3.112
   31   HD13  LEU   4          HD13      LEU   4 -13.433  -5.934   3.380
   32   HD21  LEU   4          HD21      LEU   4 -12.944  -9.399   4.416
   33   HD22  LEU   4          HD22      LEU   4 -13.353  -8.995   2.761
   34   HD23  LEU   4          HD23      LEU   4 -14.123  -8.139   4.110
   35    H    LEU   5           HN       LEU   5  -8.629  -7.138   0.678
   36    HA   LEU   5           HA       LEU   5  -6.854  -9.359   0.309
   37    HB2  LEU   5           HB2      LEU   5  -5.272  -7.837  -0.599
   38    HB3  LEU   5           HB1      LEU   5  -6.843  -7.327  -1.175
   39    HG   LEU   5           HG       LEU   5  -5.173  -5.988   0.989
   40   HD11  LEU   5          HD11      LEU   5  -4.852  -4.199  -0.614
   41   HD12  LEU   5          HD12      LEU   5  -5.776  -5.101  -1.807
   42   HD13  LEU   5          HD13      LEU   5  -4.230  -5.728  -1.238
   43   HD21  LEU   5          HD21      LEU   5  -6.742  -4.110   0.802
   44   HD22  LEU   5          HD22      LEU   5  -7.514  -5.530   1.449
   45   HD23  LEU   5          HD23      LEU   5  -7.789  -5.068  -0.249
   46    H    THR   6           HN       THR   6  -4.965  -9.862   1.487
   47    HA   THR   6           HA       THR   6  -4.974  -8.759   4.166
   48    HB   THR   6           HB       THR   6  -3.498 -10.668   4.774
   49    HG1  THR   6           HG1      THR   6  -2.668 -11.931   3.319
   50   HG21  THR   6          HG21      THR   6  -6.032 -11.467   3.337
   51   HG22  THR   6          HG22      THR   6  -5.927 -10.886   4.997
   52   HG23  THR   6          HG23      THR   6  -5.194 -12.428   4.565
   53    H    THR   7           HN       THR   7  -2.465  -9.093   5.050
   54    HA   THR   7           HA       THR   7  -1.130  -6.842   4.049
   55    HB   THR   7           HB       THR   7   0.063  -9.016   5.753
   56    HG1  THR   7           HG1      THR   7  -1.440  -6.921   6.909
   57   HG21  THR   7          HG21      THR   7   1.139  -7.075   6.840
   58   HG22  THR   7          HG22      THR   7   0.256  -6.007   5.746
   59   HG23  THR   7          HG23      THR   7   1.469  -7.095   5.109
   60    H    ASP   8           HN       ASP   8  -1.023 -10.234   3.390
   61    HA   ASP   8           HA       ASP   8   1.571 -10.545   2.406
   62    HB2  ASP   8           HB2      ASP   8  -0.878 -12.104   1.594
   63    HB3  ASP   8           HB1      ASP   8   0.806 -12.636   1.531
   64    H    ASP   9           HN       ASP   9  -1.451  -9.702   0.863
   65    HA   ASP   9           HA       ASP   9  -0.468  -9.771  -1.783
   66    HB2  ASP   9           HB2      ASP   9  -2.855  -9.946  -1.331
   67    HB3  ASP   9           HB1      ASP   9  -2.866  -8.363  -0.595
   68    H    LEU  10           HN       LEU  10  -0.915  -7.173   0.544
   69    HA   LEU  10           HA       LEU  10   0.025  -5.028  -1.037
   70    HB2  LEU  10           HB2      LEU  10  -1.181  -4.739   1.097
   71    HB3  LEU  10           HB1      LEU  10   0.202  -5.394   1.967
   72    HG   LEU  10           HG       LEU  10   1.552  -3.449   1.337
   73   HD11  LEU  10          HD11      LEU  10   0.516  -1.516   0.269
   74   HD12  LEU  10          HD12      LEU  10  -0.974  -2.426   0.032
   75   HD13  LEU  10          HD13      LEU  10   0.516  -2.920  -0.795
   76   HD21  LEU  10          HD21      LEU  10  -1.111  -2.709   2.544
   77   HD22  LEU  10          HD22      LEU  10   0.370  -1.771   2.705
   78   HD23  LEU  10          HD23      LEU  10   0.250  -3.390   3.418
   79    H    ARG  11           HN       ARG  11   1.710  -7.260   1.076
   80    HA   ARG  11           HA       ARG  11   4.314  -6.284   1.010
   81    HB2  ARG  11           HB2      ARG  11   3.528  -8.112   2.454
   82    HB3  ARG  11           HB1      ARG  11   3.324  -9.138   1.050
   83    HG2  ARG  11           HG2      ARG  11   5.791  -8.976   0.659
   84    HG3  ARG  11           HG1      ARG  11   5.913  -8.110   2.195
   85    HD2  ARG  11           HD2      ARG  11   4.742 -10.879   1.864
   86    HD3  ARG  11           HD1      ARG  11   6.405 -10.558   2.351
   87    HE   ARG  11           HE       ARG  11   5.434  -9.442   4.344
   88   HH11  ARG  11          HH11      ARG  11   3.415 -11.829   2.656
   89   HH12  ARG  11          HH12      ARG  11   2.580 -12.370   4.028
   90   HH21  ARG  11          HH21      ARG  11   4.391 -10.250   6.274
   91   HH22  ARG  11          HH22      ARG  11   3.212 -11.488   6.173
   92    H    ARG  12           HN       ARG  12   2.647  -8.513  -1.197
   93    HA   ARG  12           HA       ARG  12   4.860  -9.011  -2.873
   94    HB2  ARG  12           HB2      ARG  12   1.895  -9.318  -3.405
   95    HB3  ARG  12           HB1      ARG  12   3.157  -9.912  -4.477
   96    HG2  ARG  12           HG2      ARG  12   3.932 -11.453  -2.808
   97    HG3  ARG  12           HG1      ARG  12   2.853 -10.771  -1.596
   98    HD2  ARG  12           HD2      ARG  12   1.943 -12.855  -2.388
   99    HD3  ARG  12           HD1      ARG  12   0.918 -11.531  -2.955
  100    HE   ARG  12           HE       ARG  12   2.622 -11.960  -5.002
  101   HH11  ARG  12          HH11      ARG  12   0.319 -14.061  -3.247
  102   HH12  ARG  12          HH12      ARG  12   0.186 -15.169  -4.523
  103   HH21  ARG  12          HH21      ARG  12   2.304 -13.483  -6.804
  104   HH22  ARG  12          HH22      ARG  12   1.303 -14.839  -6.549
  105    H    ALA  13           HN       ALA  13   2.088  -6.842  -3.207
  106    HA   ALA  13           HA       ALA  13   2.731  -5.809  -5.746
  107    HB1  ALA  13           HB1      ALA  13   0.516  -5.610  -4.704
  108    HB2  ALA  13           HB2      ALA  13   1.129  -4.054  -5.247
  109    HB3  ALA  13           HB3      ALA  13   1.180  -4.468  -3.536
  110    H    LEU  14           HN       LEU  14   3.727  -4.848  -2.535
  111    HA   LEU  14           HA       LEU  14   4.855  -2.360  -3.173
  112    HB2  LEU  14           HB2      LEU  14   4.230  -3.371  -0.894
  113    HB3  LEU  14           HB1      LEU  14   5.745  -4.233  -0.995
  114    HG   LEU  14           HG       LEU  14   6.935  -2.045  -1.036
  115   HD11  LEU  14          HD11      LEU  14   5.680  -0.028  -0.446
  116   HD12  LEU  14          HD12      LEU  14   4.170  -0.954  -0.506
  117   HD13  LEU  14          HD13      LEU  14   5.110  -0.709  -1.968
  118   HD21  LEU  14          HD21      LEU  14   5.063  -2.523   1.271
  119   HD22  LEU  14          HD22      LEU  14   6.538  -1.539   1.340
  120   HD23  LEU  14          HD23      LEU  14   6.643  -3.272   1.040
  121    H    VAL  15           HN       VAL  15   6.233  -5.606  -2.957
  122    HA   VAL  15           HA       VAL  15   8.898  -4.908  -3.637
  123    HB   VAL  15           HB       VAL  15   7.474  -7.574  -3.970
  124   HG11  VAL  15          HG11      VAL  15   9.483  -7.474  -5.340
  125   HG12  VAL  15          HG12      VAL  15   9.729  -8.563  -3.975
  126   HG13  VAL  15          HG13      VAL  15  10.421  -6.934  -3.940
  127   HG21  VAL  15          HG21      VAL  15   7.471  -6.776  -1.670
  128   HG22  VAL  15          HG22      VAL  15   9.222  -6.522  -1.751
  129   HG23  VAL  15          HG23      VAL  15   8.559  -8.158  -1.851
  130    H    GLU  16           HN       GLU  16   6.222  -6.222  -5.558
  131    HA   GLU  16           HA       GLU  16   7.477  -6.470  -8.024
  132    HB2  GLU  16           HB2      GLU  16   4.606  -5.978  -7.275
  133    HB3  GLU  16           HB1      GLU  16   5.109  -6.169  -8.945
  134    HG2  GLU  16           HG2      GLU  16   5.774  -8.211  -6.851
  135    HG3  GLU  16           HG1      GLU  16   4.228  -8.215  -7.719
  136    H    SER  17           HN       SER  17   6.363  -3.526  -6.495
  137    HA   SER  17           HA       SER  17   6.555  -2.137  -9.014
  138    HB2  SER  17           HB2      SER  17   5.988  -0.101  -7.476
  139    HB3  SER  17           HB1      SER  17   4.736  -1.256  -7.896
  140    HG   SER  17           HG       SER  17   4.983  -2.220  -5.874
  141    H    ALA  18           HN       ALA  18   8.643  -2.888  -6.452
  142    HA   ALA  18           HA       ALA  18  10.341  -0.600  -6.807
  143    HB1  ALA  18           HB1      ALA  18  10.203  -1.713  -4.622
  144    HB2  ALA  18           HB2      ALA  18  11.856  -1.731  -5.242
  145    HB3  ALA  18           HB3      ALA  18  10.862  -3.189  -5.326
  146    H    GLY  19           HN       GLY  19  10.377  -3.993  -7.786
  147    HA2  GLY  19           HA2      GLY  19  11.134  -4.391 -10.089
  148    HA3  GLY  19           HA1      GLY  19  12.454  -3.275  -9.761
  149    H    GLU  20           HN       GLU  20  14.236  -4.580  -9.954
  150    HA   GLU  20           HA       GLU  20  14.425  -6.738  -8.002
  151    HB2  GLU  20           HB2      GLU  20  13.885  -7.662 -10.340
  152    HB3  GLU  20           HB1      GLU  20  15.442  -7.044 -10.834
  153    HG2  GLU  20           HG2      GLU  20  15.131  -9.055  -8.605
  154    HG3  GLU  20           HG1      GLU  20  15.289  -9.509 -10.295
  155    H    THR  21           HN       THR  21  15.770  -5.820  -6.696
  156    HA   THR  21           HA       THR  21  18.478  -5.404  -7.592
  157    HB   THR  21           HB       THR  21  18.570  -3.425  -5.919
  158    HG1  THR  21           HG1      THR  21  16.620  -3.519  -5.018
  159   HG21  THR  21          HG21      THR  21  17.115  -3.018  -8.547
  160   HG22  THR  21          HG22      THR  21  18.859  -3.070  -8.330
  161   HG23  THR  21          HG23      THR  21  17.922  -1.744  -7.634
  162    H    ASP  22           HN       ASP  22  18.156  -7.614  -6.609
  163    HA   ASP  22           HA       ASP  22  18.866  -9.084  -5.042
  164    HB2  ASP  22           HB2      ASP  22  19.569  -6.642  -3.389
  165    HB3  ASP  22           HB1      ASP  22  19.700  -8.262  -2.742
  166    H    GLY  23           HN       GLY  23  16.627  -6.680  -3.854
  167    HA2  GLY  23           HA2      GLY  23  14.398  -7.568  -3.323
  168    HA3  GLY  23           HA1      GLY  23  15.218  -8.823  -2.375
  169    H    THR  24           HN       THR  24  13.711  -7.841  -0.667
  170    HA   THR  24           HA       THR  24  15.227  -5.732   0.615
  171    HB   THR  24           HB       THR  24  12.996  -4.894   1.566
  172    HG1  THR  24           HG1      THR  24  11.523  -5.488  -0.549
  173   HG21  THR  24          HG21      THR  24  12.532  -3.457  -0.390
  174   HG22  THR  24          HG22      THR  24  13.559  -4.489  -1.386
  175   HG23  THR  24          HG23      THR  24  14.265  -3.579  -0.060
  176    H    ASP  25           HN       ASP  25  13.913  -5.544   3.008
  177    HA   ASP  25           HA       ASP  25  14.417  -8.187   4.163
  178    HB2  ASP  25           HB2      ASP  25  15.929  -6.475   4.972
  179    HB3  ASP  25           HB1      ASP  25  14.574  -5.409   5.332
  180    H    LEU  26           HN       LEU  26  11.988  -6.323   3.281
  181    HA   LEU  26           HA       LEU  26  10.276  -6.678   5.589
  182    HB2  LEU  26           HB2      LEU  26   8.572  -5.397   4.260
  183    HB3  LEU  26           HB1      LEU  26  10.044  -4.539   4.603
  184    HG   LEU  26           HG       LEU  26  10.751  -5.198   2.197
  185   HD11  LEU  26          HD11      LEU  26   9.013  -6.826   1.732
  186   HD12  LEU  26          HD12      LEU  26   8.898  -5.458   0.608
  187   HD13  LEU  26          HD13      LEU  26   7.780  -5.589   1.954
  188   HD21  LEU  26          HD21      LEU  26   9.644  -3.240   1.291
  189   HD22  LEU  26          HD22      LEU  26  10.259  -2.935   2.907
  190   HD23  LEU  26          HD23      LEU  26   8.533  -3.223   2.664
  191    H    SER  27           HN       SER  27  11.119  -9.015   4.322
  192    HA   SER  27           HA       SER  27   9.078 -10.206   2.701
  193    HB2  SER  27           HB2      SER  27  11.472 -10.936   2.684
  194    HB3  SER  27           HB1      SER  27  11.277 -11.548   4.320
  195    HG   SER  27           HG       SER  27  10.697 -13.331   3.331
  196    H    GLY  28           HN       GLY  28   9.410  -9.611   6.020
  197    HA2  GLY  28           HA2      GLY  28   7.252 -11.520   6.620
  198    HA3  GLY  28           HA1      GLY  28   8.444 -11.013   7.810
  199    H    ASP  29           HN       ASP  29   8.187  -9.096   8.858
  200    HA   ASP  29           HA       ASP  29   5.599  -7.806   8.486
  201    HB2  ASP  29           HB2      ASP  29   7.505  -7.761  10.830
  202    HB3  ASP  29           HB1      ASP  29   6.031  -6.818  10.757
  203    H    PHE  30           HN       PHE  30   5.416  -5.527   8.562
  204    HA   PHE  30           HA       PHE  30   7.608  -3.789   8.293
  205    HB2  PHE  30           HB2      PHE  30   7.386  -3.249   5.934
  206    HB3  PHE  30           HB1      PHE  30   7.803  -4.937   6.134
  207    HD1  PHE  30           HD1      PHE  30   5.939  -6.697   5.998
  208    HD2  PHE  30           HD2      PHE  30   5.443  -2.699   4.617
  209    HE1  PHE  30           HE1      PHE  30   4.034  -7.407   4.628
  210    HE2  PHE  30           HE2      PHE  30   3.532  -3.400   3.249
  211    HZ   PHE  30           HZ       PHE  30   2.800  -5.752   3.272
  212    H    LEU  31           HN       LEU  31   4.792  -4.252   9.438
  213    HA   LEU  31           HA       LEU  31   3.241  -2.118   8.238
  214    HB2  LEU  31           HB2      LEU  31   2.668  -3.935  10.563
  215    HB3  LEU  31           HB1      LEU  31   1.518  -2.777   9.913
  216    HG   LEU  31           HG       LEU  31   2.637  -5.196   8.483
  217   HD11  LEU  31          HD11      LEU  31  -0.147  -4.574   9.438
  218   HD12  LEU  31          HD12      LEU  31   0.971  -5.756  10.152
  219   HD13  LEU  31          HD13      LEU  31   0.354  -5.996   8.521
  220   HD21  LEU  31          HD21      LEU  31   1.122  -4.600   6.644
  221   HD22  LEU  31          HD22      LEU  31   2.346  -3.371   6.917
  222   HD23  LEU  31          HD23      LEU  31   0.693  -3.104   7.482
  223    H    ASP  32           HN       ASP  32   5.164  -2.671  11.111
  224    HA   ASP  32           HA       ASP  32   4.520  -0.067  12.200
  225    HB2  ASP  32           HB2      ASP  32   6.052  -0.881  14.073
  226    HB3  ASP  32           HB1      ASP  32   4.605  -1.843  13.826
  227    H    LEU  33           HN       LEU  33   6.255  -1.151   9.848
  228    HA   LEU  33           HA       LEU  33   8.669   0.400  10.226
  229    HB2  LEU  33           HB2      LEU  33   7.633  -1.493   8.170
  230    HB3  LEU  33           HB1      LEU  33   9.066  -0.629   7.790
  231    HG   LEU  33           HG       LEU  33   8.619  -2.763   9.862
  232   HD11  LEU  33          HD11      LEU  33  10.579  -2.453   7.605
  233   HD12  LEU  33          HD12      LEU  33   9.143  -3.471   7.610
  234   HD13  LEU  33          HD13      LEU  33  10.482  -3.833   8.698
  235   HD21  LEU  33          HD21      LEU  33   9.893  -1.048  10.997
  236   HD22  LEU  33          HD22      LEU  33  11.008  -0.961   9.625
  237   HD23  LEU  33          HD23      LEU  33  10.926  -2.433  10.600
  238    H    ARG  34           HN       ARG  34   9.051   2.279   9.050
  239    HA   ARG  34           HA       ARG  34   6.622   3.554   8.049
  240    HB2  ARG  34           HB2      ARG  34   9.325   4.670   8.780
  241    HB3  ARG  34           HB1      ARG  34   8.000   5.625   8.158
  242    HG2  ARG  34           HG2      ARG  34   6.663   5.026  10.137
  243    HG3  ARG  34           HG1      ARG  34   8.049   4.100  10.752
  244    HD2  ARG  34           HD2      ARG  34   7.872   6.444  11.685
  245    HD3  ARG  34           HD1      ARG  34   9.406   6.081  10.857
  246    HE   ARG  34           HE       ARG  34   7.216   7.336   9.393
  247   HH11  ARG  34          HH11      ARG  34  10.406   7.740  10.908
  248   HH12  ARG  34          HH12      ARG  34  10.838   9.060   9.943
  249   HH21  ARG  34          HH21      ARG  34   7.820   9.122   8.072
  250   HH22  ARG  34          HH22      ARG  34   9.410   9.807   8.216
  251    H    PHE  35           HN       PHE  35   6.541   4.614   5.982
  252    HA   PHE  35           HA       PHE  35   7.811   3.252   3.878
  253    HB2  PHE  35           HB2      PHE  35   6.543   5.999   3.770
  254    HB3  PHE  35           HB1      PHE  35   7.045   5.090   2.355
  255    HD1  PHE  35           HD2      PHE  35   6.053   2.515   2.458
  256    HD2  PHE  35           HD1      PHE  35   4.270   5.985   4.205
  257    HE1  PHE  35           HE2      PHE  35   3.870   1.436   2.393
  258    HE2  PHE  35           HE1      PHE  35   2.076   4.863   4.129
  259    HZ   PHE  35           HZ       PHE  35   1.873   2.624   3.259
  260    H    GLU  36           HN       GLU  36   8.625   6.379   5.300
  261    HA   GLU  36           HA       GLU  36  10.774   7.058   3.623
  262    HB2  GLU  36           HB2      GLU  36   9.787   8.718   5.087
  263    HB3  GLU  36           HB1      GLU  36  10.214   7.778   6.509
  264    HG2  GLU  36           HG2      GLU  36  12.578   8.198   6.097
  265    HG3  GLU  36           HG1      GLU  36  12.185   9.105   4.641
  266    H    ASP  37           HN       ASP  37  10.551   4.927   6.338
  267    HA   ASP  37           HA       ASP  37  13.392   4.784   6.815
  268    HB2  ASP  37           HB2      ASP  37  11.712   4.561   8.626
  269    HB3  ASP  37           HB1      ASP  37  11.150   3.058   7.894
  270    H    ILE  38           HN       ILE  38  10.934   2.847   5.205
  271    HA   ILE  38           HA       ILE  38  12.935   0.883   4.512
  272    HB   ILE  38           HB       ILE  38  11.095  -0.422   3.450
  273   HG12  ILE  38          HG12      ILE  38   9.308   1.766   4.574
  274   HG13  ILE  38          HG11      ILE  38   9.604   1.456   2.872
  275   HG21  ILE  38          HG21      ILE  38  10.641   0.406   6.326
  276   HG22  ILE  38          HG22      ILE  38  11.736  -0.860   5.762
  277   HG23  ILE  38          HG23      ILE  38   9.998  -1.051   5.576
  278   HD11  ILE  38          HD11      ILE  38   7.452   0.572   3.573
  279   HD12  ILE  38          HD12      ILE  38   8.233  -0.409   4.806
  280   HD13  ILE  38          HD13      ILE  38   8.520  -0.746   3.092
  281    H    GLY  39           HN       GLY  39  12.673   3.664   3.324
  282    HA2  GLY  39           HA2      GLY  39  13.569   4.556   1.396
  283    HA3  GLY  39           HA1      GLY  39  13.842   2.919   0.840
  284    H    TYR  40           HN       TYR  40  10.737   4.493   1.574
  285    HA   TYR  40           HA       TYR  40  10.138   4.431  -1.291
  286    HB2  TYR  40           HB2      TYR  40   8.373   3.726   1.046
  287    HB3  TYR  40           HB1      TYR  40   7.704   4.255  -0.488
  288    HD1  TYR  40           HD2      TYR  40   9.889   1.642   1.013
  289    HD2  TYR  40           HD1      TYR  40   7.379   2.735  -2.245
  290    HE1  TYR  40           HE2      TYR  40  10.015  -0.651   0.163
  291    HE2  TYR  40           HE1      TYR  40   7.490   0.501  -3.119
  292    HH   TYR  40           HH       TYR  40   8.770  -1.564  -2.961
  293    H    ASP  41           HN       ASP  41   9.301   6.270  -2.143
  294    HA   ASP  41           HA       ASP  41   9.183   8.539  -0.293
  295    HB2  ASP  41           HB2      ASP  41   9.259   8.645  -3.315
  296    HB3  ASP  41           HB1      ASP  41   9.389  10.007  -2.227
  297    H    SER  42           HN       SER  42   7.703   8.837  -3.314
  298    HA   SER  42           HA       SER  42   5.005   8.594  -2.218
  299    HB2  SER  42           HB2      SER  42   4.549  10.812  -3.336
  300    HB3  SER  42           HB1      SER  42   5.621  10.913  -1.928
  301    H    LEU  43           HN       LEU  43   6.841   9.577  -5.078
  302    HA   LEU  43           HA       LEU  43   5.053   9.015  -7.099
  303    HB2  LEU  43           HB2      LEU  43   7.187  10.192  -7.379
  304    HB3  LEU  43           HB1      LEU  43   8.043   8.672  -7.190
  305    HG   LEU  43           HG       LEU  43   6.961   7.859  -9.262
  306   HD11  LEU  43          HD11      LEU  43   4.971   9.251  -9.239
  307   HD12  LEU  43          HD12      LEU  43   5.864   9.478 -10.745
  308   HD13  LEU  43          HD13      LEU  43   5.951  10.691  -9.481
  309   HD21  LEU  43          HD21      LEU  43   8.294   9.243 -10.808
  310   HD22  LEU  43          HD22      LEU  43   9.181   8.786  -9.351
  311   HD23  LEU  43          HD23      LEU  43   8.535  10.417  -9.506
  312    H    ALA  44           HN       ALA  44   7.564   6.836  -5.872
  313    HA   ALA  44           HA       ALA  44   6.808   4.610  -7.409
  314    HB1  ALA  44           HB1      ALA  44   8.149   3.284  -5.858
  315    HB2  ALA  44           HB2      ALA  44   8.213   4.635  -4.731
  316    HB3  ALA  44           HB3      ALA  44   9.000   4.768  -6.301
  317    H    LEU  45           HN       LEU  45   5.684   5.895  -4.401
  318    HA   LEU  45           HA       LEU  45   4.429   3.518  -3.456
  319    HB2  LEU  45           HB2      LEU  45   5.365   5.470  -2.097
  320    HB3  LEU  45           HB1      LEU  45   3.955   6.370  -2.571
  321    HG   LEU  45           HG       LEU  45   3.848   3.813  -0.962
  322   HD11  LEU  45          HD11      LEU  45   3.504   5.253   0.972
  323   HD12  LEU  45          HD12      LEU  45   3.783   6.674  -0.028
  324   HD13  LEU  45          HD13      LEU  45   5.078   5.508   0.235
  325   HD21  LEU  45          HD21      LEU  45   1.616   4.599  -0.356
  326   HD22  LEU  45          HD22      LEU  45   1.775   4.327  -2.091
  327   HD23  LEU  45          HD23      LEU  45   1.813   5.982  -1.451
  328    H    MET  46           HN       MET  46   3.283   6.499  -5.142
  329    HA   MET  46           HA       MET  46   0.616   5.729  -5.063
  330    HB2  MET  46           HB2      MET  46   2.040   7.537  -6.992
  331    HB3  MET  46           HB1      MET  46   0.313   7.263  -7.072
  332    HG2  MET  46           HG2      MET  46   0.174   7.997  -4.677
  333    HG3  MET  46           HG1      MET  46   1.852   8.507  -4.813
  334    HE1  MET  46           HE1      MET  46  -1.796   8.983  -6.151
  335    HE2  MET  46           HE2      MET  46  -0.880   8.634  -7.613
  336    HE3  MET  46           HE3      MET  46  -1.588  10.242  -7.361
  337    H    GLU  47           HN       GLU  47   3.105   4.754  -7.316
  338    HA   GLU  47           HA       GLU  47   1.353   3.510  -9.150
  339    HB2  GLU  47           HB2      GLU  47   4.275   2.979  -8.540
  340    HB3  GLU  47           HB1      GLU  47   3.369   2.140  -9.794
  341    HG2  GLU  47           HG2      GLU  47   3.768   5.121  -9.668
  342    HG3  GLU  47           HG1      GLU  47   4.733   4.025 -10.642
  343    H    THR  48           HN       THR  48   3.001   2.323  -6.246
  344    HA   THR  48           HA       THR  48   2.129  -0.331  -6.254
  345    HB   THR  48           HB       THR  48   2.443   1.501  -3.853
  346    HG1  THR  48           HG1      THR  48   4.563  -0.004  -5.093
  347   HG21  THR  48          HG21      THR  48   1.552  -0.737  -3.351
  348   HG22  THR  48          HG22      THR  48   3.187  -0.548  -2.704
  349   HG23  THR  48          HG23      THR  48   2.920  -1.481  -4.175
  350    H    ALA  49           HN       ALA  49   0.640   2.587  -4.851
  351    HA   ALA  49           HA       ALA  49  -1.642   1.419  -3.728
  352    HB1  ALA  49           HB1      ALA  49  -1.383   4.226  -4.812
  353    HB2  ALA  49           HB2      ALA  49  -0.909   3.704  -3.194
  354    HB3  ALA  49           HB3      ALA  49  -2.603   3.657  -3.684
  355    H    ALA  50           HN       ALA  50  -1.304   3.036  -6.887
  356    HA   ALA  50           HA       ALA  50  -3.947   2.604  -7.762
  357    HB1  ALA  50           HB1      ALA  50  -2.460   4.291  -8.731
  358    HB2  ALA  50           HB2      ALA  50  -3.107   3.202  -9.974
  359    HB3  ALA  50           HB3      ALA  50  -1.464   2.995  -9.388
  360    H    ARG  51           HN       ARG  51  -1.165   0.610  -7.747
  361    HA   ARG  51           HA       ARG  51  -1.872  -1.261  -9.727
  362    HB2  ARG  51           HB2      ARG  51   0.383  -0.983  -8.475
  363    HB3  ARG  51           HB1      ARG  51  -0.358  -1.929  -7.200
  364    HG2  ARG  51           HG2      ARG  51   0.910  -3.445  -8.447
  365    HG3  ARG  51           HG1      ARG  51  -0.762  -3.726  -8.935
  366    HD2  ARG  51           HD2      ARG  51   1.271  -2.069 -10.456
  367    HD3  ARG  51           HD1      ARG  51   0.787  -3.708 -10.850
  368    HE   ARG  51           HE       ARG  51  -1.495  -2.723 -11.187
  369   HH11  ARG  51          HH11      ARG  51   1.484  -0.906 -11.865
  370   HH12  ARG  51          HH12      ARG  51   0.714   0.295 -12.797
  371   HH21  ARG  51          HH21      ARG  51  -2.548  -1.015 -12.570
  372   HH22  ARG  51          HH22      ARG  51  -1.558   0.229 -13.176
  373    H    LEU  52           HN       LEU  52  -2.679  -0.901  -6.340
  374    HA   LEU  52           HA       LEU  52  -4.066  -3.409  -6.134
  375    HB2  LEU  52           HB2      LEU  52  -4.001  -0.995  -4.318
  376    HB3  LEU  52           HB1      LEU  52  -4.747  -2.524  -3.921
  377    HG   LEU  52           HG       LEU  52  -1.800  -2.131  -4.432
  378   HD11  LEU  52          HD11      LEU  52  -1.567  -2.431  -2.007
  379   HD12  LEU  52          HD12      LEU  52  -3.319  -2.474  -1.855
  380   HD13  LEU  52          HD13      LEU  52  -2.509  -1.005  -2.412
  381   HD21  LEU  52          HD21      LEU  52  -2.565  -4.386  -4.970
  382   HD22  LEU  52          HD22      LEU  52  -3.350  -4.502  -3.394
  383   HD23  LEU  52          HD23      LEU  52  -1.595  -4.396  -3.490
  384    H    GLU  53           HN       GLU  53  -4.950   0.057  -6.260
  385    HA   GLU  53           HA       GLU  53  -7.704  -0.122  -6.102
  386    HB2  GLU  53           HB2      GLU  53  -6.160   1.805  -7.852
  387    HB3  GLU  53           HB1      GLU  53  -7.828   1.974  -7.316
  388    HG2  GLU  53           HG2      GLU  53  -7.050   2.207  -5.016
  389    HG3  GLU  53           HG1      GLU  53  -5.373   2.102  -5.600
  390    H    SER  54           HN       SER  54  -5.678  -0.353  -9.025
  391    HA   SER  54           HA       SER  54  -7.759  -0.518 -10.906
  392    HB2  SER  54           HB2      SER  54  -5.001  -1.747 -11.104
  393    HB3  SER  54           HB1      SER  54  -6.098  -1.406 -12.450
  394    HG   SER  54           HG       SER  54  -4.840   0.472 -10.716
  395    H    ARG  55           HN       ARG  55  -6.524  -2.954  -8.767
  396    HA   ARG  55           HA       ARG  55  -7.518  -5.130 -10.389
  397    HB2  ARG  55           HB2      ARG  55  -5.410  -5.315  -9.072
  398    HB3  ARG  55           HB1      ARG  55  -6.356  -5.205  -7.601
  399    HG2  ARG  55           HG2      ARG  55  -7.625  -7.260  -8.465
  400    HG3  ARG  55           HG1      ARG  55  -6.333  -7.397  -9.645
  401    HD2  ARG  55           HD2      ARG  55  -6.032  -7.418  -6.657
  402    HD3  ARG  55           HD1      ARG  55  -5.868  -8.813  -7.722
  403    HE   ARG  55           HE       ARG  55  -4.014  -7.114  -8.666
  404   HH11  ARG  55          HH11      ARG  55  -4.731  -8.346  -5.412
  405   HH12  ARG  55          HH12      ARG  55  -3.154  -8.245  -4.853
  406   HH21  ARG  55          HH21      ARG  55  -1.716  -6.961  -7.805
  407   HH22  ARG  55          HH22      ARG  55  -1.479  -7.473  -6.186
  408    H    TYR  56           HN       TYR  56  -8.200  -3.623  -7.275
  409    HA   TYR  56           HA       TYR  56 -10.478  -5.394  -6.871
  410    HB2  TYR  56           HB2      TYR  56  -9.247  -3.327  -5.035
  411    HB3  TYR  56           HB1      TYR  56 -10.585  -4.380  -4.585
  412    HD1  TYR  56           HD1      TYR  56 -10.194  -6.787  -4.215
  413    HD2  TYR  56           HD2      TYR  56  -6.995  -4.177  -5.224
  414    HE1  TYR  56           HE1      TYR  56  -8.582  -8.469  -3.435
  415    HE2  TYR  56           HE2      TYR  56  -5.374  -5.863  -4.451
  416    HH   TYR  56           HH       TYR  56  -6.272  -9.100  -3.732
  417    H    GLY  57           HN       GLY  57  -9.933  -2.278  -8.095
  418    HA2  GLY  57           HA2      GLY  57 -11.431  -0.805  -9.029
  419    HA3  GLY  57           HA1      GLY  57 -12.750  -1.831  -8.445
  420    H    VAL  58           HN       VAL  58 -10.090  -0.125  -6.771
  421    HA   VAL  58           HA       VAL  58 -12.218   0.991  -5.106
  422    HB   VAL  58           HB       VAL  58 -10.988   0.876  -3.143
  423   HG11  VAL  58          HG11      VAL  58 -11.796  -1.243  -3.807
  424   HG12  VAL  58          HG12      VAL  58 -10.303  -1.405  -2.859
  425   HG13  VAL  58          HG13      VAL  58 -10.250  -1.593  -4.607
  426   HG21  VAL  58          HG21      VAL  58  -8.828   1.761  -3.862
  427   HG22  VAL  58          HG22      VAL  58  -8.419   0.209  -4.624
  428   HG23  VAL  58          HG23      VAL  58  -8.655   0.323  -2.866
  429    H    SER  59           HN       SER  59 -11.064   2.994  -3.697
  430    HA   SER  59           HA       SER  59  -9.568   4.680  -5.503
  431    HB2  SER  59           HB2      SER  59 -12.272   5.561  -4.404
  432    HB3  SER  59           HB1      SER  59 -11.183   6.504  -5.410
  433    HG   SER  59           HG       SER  59 -11.500   4.348  -6.721
  434    H    ILE  60           HN       ILE  60  -8.025   5.463  -4.242
  435    HA   ILE  60           HA       ILE  60  -8.455   5.756  -1.359
  436    HB   ILE  60           HB       ILE  60  -6.010   6.371  -3.045
  437   HG12  ILE  60          HG12      ILE  60  -6.514   4.013  -3.075
  438   HG13  ILE  60          HG11      ILE  60  -5.067   4.273  -2.115
  439   HG21  ILE  60          HG21      ILE  60  -6.293   6.220  -0.048
  440   HG22  ILE  60          HG22      ILE  60  -5.997   7.675  -0.999
  441   HG23  ILE  60          HG23      ILE  60  -4.764   6.407  -0.909
  442   HD11  ILE  60          HD11      ILE  60  -6.428   4.067  -0.064
  443   HD12  ILE  60          HD12      ILE  60  -6.524   2.617  -1.075
  444   HD13  ILE  60          HD13      ILE  60  -7.849   3.764  -1.055
  445    HA   PRO  61           HA       PRO  61  -9.849   9.989  -2.003
  446    HB2  PRO  61           HB2      PRO  61  -9.751  10.104   0.949
  447    HB3  PRO  61           HB1      PRO  61 -11.117  10.351  -0.129
  448    HG2  PRO  61           HG2      PRO  61 -10.941   8.158   1.371
  449    HG3  PRO  61           HG1      PRO  61 -11.590   8.100  -0.285
  450    HD2  PRO  61           HD2      PRO  61  -8.848   7.358   0.704
  451    HD3  PRO  61           HD1      PRO  61  -9.895   6.481  -0.437
  452    H    ASP  62           HN       ASP  62  -8.945  11.998  -1.955
  453    HA   ASP  62           HA       ASP  62  -6.148  12.134  -1.774
  454    HB2  ASP  62           HB2      ASP  62  -6.437  14.579  -2.299
  455    HB3  ASP  62           HB1      ASP  62  -7.196  13.487  -3.441
  456    H    ASP  63           HN       ASP  63  -8.623  13.293   0.478
  457    HA   ASP  63           HA       ASP  63  -6.782  14.673   2.159
  458    HB2  ASP  63           HB2      ASP  63  -9.211  15.072   2.364
  459    HB3  ASP  63           HB1      ASP  63  -9.470  13.411   2.833
  460    H    VAL  64           HN       VAL  64  -8.125  11.434   2.256
  461    HA   VAL  64           HA       VAL  64  -6.909  10.623   4.677
  462    HB   VAL  64           HB       VAL  64  -7.858   8.784   2.443
  463   HG11  VAL  64          HG11      VAL  64  -6.526   7.654   4.119
  464   HG12  VAL  64          HG12      VAL  64  -8.222   7.173   4.233
  465   HG13  VAL  64          HG13      VAL  64  -7.540   8.324   5.395
  466   HG21  VAL  64          HG21      VAL  64 -10.001   8.750   3.642
  467   HG22  VAL  64          HG22      VAL  64  -9.621  10.368   3.046
  468   HG23  VAL  64          HG23      VAL  64  -9.400   9.978   4.752
  469    H    ALA  65           HN       ALA  65  -5.842  10.366   1.318
  470    HA   ALA  65           HA       ALA  65  -3.741   8.571   1.567
  471    HB1  ALA  65           HB1      ALA  65  -4.576   9.383  -0.605
  472    HB2  ALA  65           HB2      ALA  65  -2.821   9.559  -0.474
  473    HB3  ALA  65           HB3      ALA  65  -3.872  10.958  -0.267
  474    H    GLY  66           HN       GLY  66  -3.774  12.036   2.249
  475    HA2  GLY  66           HA2      GLY  66  -0.876  12.033   2.610
  476    HA3  GLY  66           HA1      GLY  66  -1.920  13.442   2.686
  477    H    ARG  67           HN       ARG  67  -3.007  10.769   4.523
  478    HA   ARG  67           HA       ARG  67  -2.051  12.153   6.957
  479    HB2  ARG  67           HB2      ARG  67  -4.427  10.347   6.599
  480    HB3  ARG  67           HB1      ARG  67  -3.905  11.048   8.119
  481    HG2  ARG  67           HG2      ARG  67  -4.272  13.287   7.190
  482    HG3  ARG  67           HG1      ARG  67  -4.882  12.529   5.710
  483    HD2  ARG  67           HD2      ARG  67  -6.567  11.361   7.012
  484    HD3  ARG  67           HD1      ARG  67  -5.981  12.163   8.478
  485    HE   ARG  67           HE       ARG  67  -7.041  13.706   6.206
  486   HH11  ARG  67          HH11      ARG  67  -6.881  13.113   9.667
  487   HH12  ARG  67          HH12      ARG  67  -8.230  14.072  10.071
  488   HH21  ARG  67          HH21      ARG  67  -8.794  15.015   6.650
  489   HH22  ARG  67          HH22      ARG  67  -9.368  15.277   8.256
  490    H    VAL  68           HN       VAL  68  -1.395   9.419   5.159
  491    HA   VAL  68           HA       VAL  68  -0.939   7.777   7.531
  492    HB   VAL  68           HB       VAL  68  -0.577   5.869   6.046
  493   HG11  VAL  68          HG11      VAL  68  -2.805   5.657   5.087
  494   HG12  VAL  68          HG12      VAL  68  -3.080   7.382   5.352
  495   HG13  VAL  68          HG13      VAL  68  -2.847   6.312   6.735
  496   HG21  VAL  68          HG21      VAL  68  -0.918   6.037   3.635
  497   HG22  VAL  68          HG22      VAL  68   0.465   7.013   4.152
  498   HG23  VAL  68          HG23      VAL  68  -1.065   7.795   3.760
  499    H    ASP  69           HN       ASP  69   1.046   6.482   7.605
  500    HA   ASP  69           HA       ASP  69   3.346   7.441   6.069
  501    HB2  ASP  69           HB2      ASP  69   3.254   8.890   8.159
  502    HB3  ASP  69           HB1      ASP  69   3.481   7.429   9.112
  503    H    THR  70           HN       THR  70   1.682   4.957   7.788
  504    HA   THR  70           HA       THR  70   3.932   3.174   7.296
  505    HB   THR  70           HB       THR  70   3.001   1.733   9.114
  506    HG1  THR  70           HG1      THR  70   1.288   3.979   9.457
  507   HG21  THR  70          HG21      THR  70   3.837   3.143  10.959
  508   HG22  THR  70          HG22      THR  70   3.748   4.543   9.888
  509   HG23  THR  70          HG23      THR  70   4.866   3.221   9.535
  510    HA   PRO  71           HA       PRO  71   1.552   0.670   4.442
  511    HB2  PRO  71           HB2      PRO  71   2.740  -1.565   6.072
  512    HB3  PRO  71           HB1      PRO  71   2.703  -1.349   4.297
  513    HG2  PRO  71           HG2      PRO  71   4.917  -0.865   5.605
  514    HG3  PRO  71           HG1      PRO  71   4.386   0.273   4.361
  515    HD2  PRO  71           HD2      PRO  71   4.197   0.486   7.342
  516    HD3  PRO  71           HD1      PRO  71   4.627   1.722   6.149
  517    H    ARG  72           HN       ARG  72   1.421   0.150   7.869
  518    HA   ARG  72           HA       ARG  72  -0.653  -1.709   8.207
  519    HB2  ARG  72           HB2      ARG  72   0.782  -0.931  10.018
  520    HB3  ARG  72           HB1      ARG  72   0.104   0.682   9.895
  521    HG2  ARG  72           HG2      ARG  72  -2.119  -0.283  10.536
  522    HG3  ARG  72           HG1      ARG  72  -1.313  -1.817  10.781
  523    HD2  ARG  72           HD2      ARG  72  -1.536  -0.725  12.917
  524    HD3  ARG  72           HD1      ARG  72   0.160  -0.772  12.466
  525    HE   ARG  72           HE       ARG  72  -1.163   1.684  11.726
  526   HH11  ARG  72          HH11      ARG  72   0.813   0.068  14.192
  527   HH12  ARG  72          HH12      ARG  72   0.947   1.421  15.208
  528   HH21  ARG  72          HH21      ARG  72  -0.902   3.635  13.090
  529   HH22  ARG  72          HH22      ARG  72  -0.006   3.520  14.512
  530    H    GLU  73           HN       GLU  73  -0.692   1.796   8.008
  531    HA   GLU  73           HA       GLU  73  -3.465   2.146   8.407
  532    HB2  GLU  73           HB2      GLU  73  -1.419   3.990   7.161
  533    HB3  GLU  73           HB1      GLU  73  -2.996   4.421   7.810
  534    HG2  GLU  73           HG2      GLU  73  -2.299   3.934  10.024
  535    HG3  GLU  73           HG1      GLU  73  -0.835   3.147   9.458
  536    H    LEU  74           HN       LEU  74  -1.360   1.905   5.626
  537    HA   LEU  74           HA       LEU  74  -3.206   2.755   3.679
  538    HB2  LEU  74           HB2      LEU  74  -0.653   2.607   3.544
  539    HB3  LEU  74           HB1      LEU  74  -0.858   0.905   3.194
  540    HG   LEU  74           HG       LEU  74  -0.396   2.283   1.182
  541   HD11  LEU  74          HD11      LEU  74  -3.119   1.029   1.148
  542   HD12  LEU  74          HD12      LEU  74  -1.597   0.193   0.857
  543   HD13  LEU  74          HD13      LEU  74  -2.145   1.420  -0.274
  544   HD21  LEU  74          HD21      LEU  74  -3.082   3.523   1.769
  545   HD22  LEU  74          HD22      LEU  74  -2.107   3.789   0.317
  546   HD23  LEU  74          HD23      LEU  74  -1.509   4.330   1.881
  547    H    LEU  75           HN       LEU  75  -2.391  -0.429   4.999
  548    HA   LEU  75           HA       LEU  75  -3.983  -1.951   3.205
  549    HB2  LEU  75           HB2      LEU  75  -2.247  -2.995   4.571
  550    HB3  LEU  75           HB1      LEU  75  -3.131  -2.597   6.034
  551    HG   LEU  75           HG       LEU  75  -4.999  -4.063   5.199
  552   HD11  LEU  75          HD11      LEU  75  -4.434  -4.071   2.856
  553   HD12  LEU  75          HD12      LEU  75  -4.464  -5.722   3.492
  554   HD13  LEU  75          HD13      LEU  75  -2.920  -4.909   3.211
  555   HD21  LEU  75          HD21      LEU  75  -3.885  -6.144   5.847
  556   HD22  LEU  75          HD22      LEU  75  -3.450  -4.815   6.921
  557   HD23  LEU  75          HD23      LEU  75  -2.313  -5.345   5.674
  558    H    ASP  76           HN       ASP  76  -4.552  -0.772   6.496
  559    HA   ASP  76           HA       ASP  76  -7.161  -1.827   6.802
  560    HB2  ASP  76           HB2      ASP  76  -5.701  -1.119   8.666
  561    HB3  ASP  76           HB1      ASP  76  -5.923   0.560   8.198
  562    H    LEU  77           HN       LEU  77  -5.977   1.221   5.586
  563    HA   LEU  77           HA       LEU  77  -8.272   2.742   5.241
  564    HB2  LEU  77           HB2      LEU  77  -5.725   3.177   4.693
  565    HB3  LEU  77           HB1      LEU  77  -6.144   2.503   3.146
  566    HG   LEU  77           HG       LEU  77  -7.253   5.053   4.314
  567   HD11  LEU  77          HD11      LEU  77  -4.937   5.237   3.749
  568   HD12  LEU  77          HD12      LEU  77  -5.909   6.151   2.607
  569   HD13  LEU  77          HD13      LEU  77  -5.240   4.579   2.134
  570   HD21  LEU  77          HD21      LEU  77  -8.884   4.004   2.792
  571   HD22  LEU  77          HD22      LEU  77  -7.637   3.893   1.540
  572   HD23  LEU  77          HD23      LEU  77  -8.195   5.470   2.089
  573    H    ILE  78           HN       ILE  78  -6.847   0.298   3.078
  574    HA   ILE  78           HA       ILE  78  -8.877   0.584   1.115
  575    HB   ILE  78           HB       ILE  78  -6.761  -1.584   1.438
  576   HG12  ILE  78          HG12      ILE  78  -6.984   0.799  -0.424
  577   HG13  ILE  78          HG11      ILE  78  -5.885   0.676   0.934
  578   HG21  ILE  78          HG21      ILE  78  -8.685  -2.478   0.243
  579   HG22  ILE  78          HG22      ILE  78  -7.346  -2.261  -0.876
  580   HG23  ILE  78          HG23      ILE  78  -8.686  -1.110  -0.869
  581   HD11  ILE  78          HD11      ILE  78  -5.838  -1.006  -1.561
  582   HD12  ILE  78          HD12      ILE  78  -4.732  -1.179  -0.196
  583   HD13  ILE  78          HD13      ILE  78  -4.745   0.309  -1.155
  584    H    ASN  79           HN       ASN  79  -8.234  -1.688   3.704
  585    HA   ASN  79           HA       ASN  79 -10.297  -3.512   3.155
  586    HB2  ASN  79           HB2      ASN  79  -9.061  -2.746   5.808
  587    HB3  ASN  79           HB1      ASN  79 -10.235  -4.028   5.639
  588   HD21  ASN  79          HD21      ASN  79  -9.010  -4.823   3.005
  589   HD22  ASN  79          HD22      ASN  79  -7.570  -5.672   3.446
  590    H    GLY  80           HN       GLY  80 -10.263  -0.562   5.088
  591    HA2  GLY  80           HA2      GLY  80 -12.945  -0.675   5.955
  592    HA3  GLY  80           HA1      GLY  80 -11.896   0.740   5.921
  593    H    ALA  81           HN       ALA  81 -11.433   0.905   3.134
  594    HA   ALA  81           HA       ALA  81 -13.851   2.169   2.403
  595    HB1  ALA  81           HB1      ALA  81 -12.674   2.793   0.358
  596    HB2  ALA  81           HB2      ALA  81 -11.340   1.704   0.836
  597    HB3  ALA  81           HB3      ALA  81 -11.725   3.111   1.805
  598    H    LEU  82           HN       LEU  82 -12.474  -0.936   1.605
  599    HA   LEU  82           HA       LEU  82 -14.220  -1.645  -0.474
  600    HB2  LEU  82           HB2      LEU  82 -12.879  -3.305   1.667
  601    HB3  LEU  82           HB1      LEU  82 -13.890  -4.016   0.419
  602    HG   LEU  82           HG       LEU  82 -11.383  -2.413  -0.179
  603   HD11  LEU  82          HD11      LEU  82 -10.332  -4.551  -0.672
  604   HD12  LEU  82          HD12      LEU  82 -11.756  -5.404  -0.107
  605   HD13  LEU  82          HD13      LEU  82 -10.782  -4.455   1.031
  606   HD21  LEU  82          HD21      LEU  82 -13.103  -4.210  -1.875
  607   HD22  LEU  82          HD22      LEU  82 -11.643  -3.384  -2.396
  608   HD23  LEU  82          HD23      LEU  82 -13.076  -2.450  -1.943
  609    H    ALA  83           HN       ALA  83 -14.674  -1.447   2.960
  610    HA   ALA  83           HA       ALA  83 -17.153  -2.878   3.035
  611    HB1  ALA  83           HB1      ALA  83 -15.934  -1.079   5.117
  612    HB2  ALA  83           HB2      ALA  83 -15.659  -2.825   4.973
  613    HB3  ALA  83           HB3      ALA  83 -17.259  -2.216   5.373
  614    H    GLU  84           HN       GLU  84 -16.431   0.090   1.796
  615    HA   GLU  84           HA       GLU  84 -18.875   1.422   2.572
  616    HB2  GLU  84           HB2      GLU  84 -16.983   2.015   0.288
  617    HB3  GLU  84           HB1      GLU  84 -18.277   3.065   0.794
  618    HG2  GLU  84           HG2      GLU  84 -17.143   3.374   2.962
  619    HG3  GLU  84           HG1      GLU  84 -15.822   2.381   2.369
  620    H    ALA  85           HN       ALA  85 -17.837  -0.894   0.341
  621    HA   ALA  85           HA       ALA  85 -20.011  -0.456  -1.533
  622    HB1  ALA  85           HB1      ALA  85 -18.959  -2.236  -2.863
  623    HB2  ALA  85           HB2      ALA  85 -17.817  -2.537  -1.551
  624    HB3  ALA  85           HB3      ALA  85 -17.779  -0.999  -2.415
  625    H    ALA  86           HN       ALA  86 -18.767  -3.328   0.238
  626    HA   ALA  86           HA       ALA  86 -21.322  -3.942   1.286
  627    HB1  ALA  86           HB1      ALA  86 -20.154  -5.768  -0.847
  628    HB2  ALA  86           HB2      ALA  86 -21.629  -4.813  -1.002
  629    HB3  ALA  86           HB3      ALA  86 -21.560  -6.131   0.159
  630   H28A  SXR 101          H28A      SXR  42   5.332  11.314  -6.633
  631   H28B  SXR 101          H28B      SXR  42   3.956  10.887  -5.619
  632   H30A  SXR 101          H30A      SXR  42   3.489  11.704  -8.990
  633   H30B  SXR 101          H30B      SXR  42   1.995  11.544  -8.060
  634   H30C  SXR 101          H30C      SXR  42   3.363  10.481  -7.718
  635   H31A  SXR 101          H31A      SXR  42   2.563  14.090  -5.970
  636   H31B  SXR 101          H31B      SXR  42   2.277  12.500  -5.275
  637   H31C  SXR 101          H31C      SXR  42   1.484  12.951  -6.784
  638   H32A  SXR 101          H32A      SXR  42   5.309  13.267  -8.110
  639   H33A  SXR 101          H33A      SXR  42   4.868  14.106  -5.886
  640   H36A  SXR 101          H36A      SXR  42   3.031  15.687  -7.441
  641   H37A  SXR 101          H37A      SXR  42   2.379  17.277  -9.181
  642   H37B  SXR 101          H37B      SXR  42   2.254  15.912 -10.297
  643   H38A  SXR 101          H38A      SXR  42   0.461  16.447  -7.912
  644   H38B  SXR 101          H38B      SXR  42   0.011  16.672  -9.602
  645   H41A  SXR 101          H41A      SXR  42  -0.863  14.908  -7.302
  646   H42A  SXR 101          H42A      SXR  42  -1.150  12.423  -8.824
  647   H42B  SXR 101          H42B      SXR  42  -0.530  12.379  -7.190
  648   H43A  SXR 101          H43A      SXR  42  -2.932  11.924  -7.098
  649   H43B  SXR 101          H43B      SXR  42  -3.245  13.385  -8.044
  650   H11A  SXR 101          H11A      SXR  42  -0.627   8.398  -1.586
  651   H10A  SXR 101          H10A      SXR  42  -0.474   6.875   0.399
  652    H9A  SXR 101           H9A      SXR  42   1.215   7.300   2.133
  653    H8A  SXR 101           H8A      SXR  42   2.758   9.217   1.946
  654    H7A  SXR 101           H7A      SXR  42   2.615  10.732   0.002
  655    H5A  SXR 101           H5A      SXR  42   1.720  11.153  -2.547
  656    H5B  SXR 101           H5B      SXR  42   1.173   9.762  -2.749
  657    H4A  SXR 101           H4A      SXR  42  -1.243  10.512  -2.886
  658    H4B  SXR 101           H4B      SXR  42  -0.817  10.733  -1.447
  659    H2A  SXR 101           H2A      SXR  42  -2.742  13.169  -3.210
  660    H2B  SXR 101           H2B      SXR  42  -1.640  14.134  -2.973
  661    H1A  SXR 101           H1A      SXR  42  -0.418  13.234  -5.407
  662    H1B  SXR 101           H1B      SXR  42  -1.423  12.169  -5.000
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1 -20.277  -8.140  -3.763
    2    H2   MET   1           HT2      MET   1 -18.661  -7.689  -4.163
    3    H3   MET   1           HT3      MET   1 -19.557  -6.770  -3.069
    4    HA   MET   1           HA       MET   1 -19.518  -8.261  -1.428
    5    HB2  MET   1           HB2      MET   1 -18.095 -10.074  -3.396
    6    HB3  MET   1           HB1      MET   1 -18.179 -10.392  -1.666
    7    HG2  MET   1           HG2      MET   1 -20.481 -10.271  -3.609
    8    HG3  MET   1           HG1      MET   1 -19.798 -11.709  -2.846
    9    HE1  MET   1           HE1      MET   1 -22.279 -12.414  -2.063
   10    HE2  MET   1           HE2      MET   1 -22.913 -10.954  -2.816
   11    HE3  MET   1           HE3      MET   1 -23.345 -11.339  -1.149
   12    H    ALA   2           HN       ALA   2 -17.861  -7.961   0.060
   13    HA   ALA   2           HA       ALA   2 -15.705  -6.313  -0.899
   14    HB1  ALA   2           HB1      ALA   2 -15.173  -5.999   1.464
   15    HB2  ALA   2           HB2      ALA   2 -16.371  -7.211   1.918
   16    HB3  ALA   2           HB3      ALA   2 -16.882  -5.690   1.176
   17    H    THR   3           HN       THR   3 -13.876  -7.176  -1.596
   18    HA   THR   3           HA       THR   3 -13.065  -9.734  -0.478
   19    HB   THR   3           HB       THR   3 -13.484 -10.005  -2.824
   20    HG1  THR   3           HG1      THR   3 -10.689  -9.751  -2.605
   21   HG21  THR   3          HG21      THR   3 -11.657  -7.641  -3.355
   22   HG22  THR   3          HG22      THR   3 -13.414  -7.688  -3.566
   23   HG23  THR   3          HG23      THR   3 -12.362  -8.680  -4.586
   24    H    LEU   4           HN       LEU   4 -12.120  -8.825   1.298
   25    HA   LEU   4           HA       LEU   4 -10.147  -6.820   1.313
   26    HB2  LEU   4           HB2      LEU   4 -10.964  -8.920   3.298
   27    HB3  LEU   4           HB1      LEU   4  -9.569  -7.896   3.595
   28    HG   LEU   4           HG       LEU   4 -11.014  -5.911   3.622
   29   HD11  LEU   4          HD11      LEU   4 -12.760  -6.617   2.050
   30   HD12  LEU   4          HD12      LEU   4 -13.423  -6.070   3.592
   31   HD13  LEU   4          HD13      LEU   4 -13.342  -7.796   3.232
   32   HD21  LEU   4          HD21      LEU   4 -10.616  -7.083   5.701
   33   HD22  LEU   4          HD22      LEU   4 -12.014  -8.129   5.384
   34   HD23  LEU   4          HD23      LEU   4 -12.255  -6.399   5.662
   35    H    LEU   5           HN       LEU   5  -8.051  -6.833   1.053
   36    HA   LEU   5           HA       LEU   5  -6.678  -9.285   0.255
   37    HB2  LEU   5           HB2      LEU   5  -4.913  -7.942  -0.560
   38    HB3  LEU   5           HB1      LEU   5  -6.331  -7.008  -0.924
   39    HG   LEU   5           HG       LEU   5  -4.459  -6.478   1.398
   40   HD11  LEU   5          HD11      LEU   5  -4.659  -5.117  -1.279
   41   HD12  LEU   5          HD12      LEU   5  -3.330  -6.131  -0.735
   42   HD13  LEU   5          HD13      LEU   5  -3.655  -4.585   0.050
   43   HD21  LEU   5          HD21      LEU   5  -5.534  -4.268   1.427
   44   HD22  LEU   5          HD22      LEU   5  -6.624  -5.579   1.848
   45   HD23  LEU   5          HD23      LEU   5  -6.710  -4.818   0.247
   46    H    THR   6           HN       THR   6  -4.718  -9.989   1.309
   47    HA   THR   6           HA       THR   6  -4.889  -9.448   4.137
   48    HB   THR   6           HB       THR   6  -3.364 -11.470   4.285
   49    HG1  THR   6           HG1      THR   6  -3.711 -12.718   2.123
   50   HG21  THR   6          HG21      THR   6  -5.201 -13.066   3.822
   51   HG22  THR   6          HG22      THR   6  -6.038 -11.822   2.903
   52   HG23  THR   6          HG23      THR   6  -5.808 -11.625   4.641
   53    H    THR   7           HN       THR   7  -2.504  -9.839   5.167
   54    HA   THR   7           HA       THR   7  -1.058  -7.527   4.545
   55    HB   THR   7           HB       THR   7  -0.131  -9.879   6.187
   56    HG1  THR   7           HG1      THR   7  -1.460  -8.924   7.909
   57   HG21  THR   7          HG21      THR   7   1.463  -7.990   5.917
   58   HG22  THR   7          HG22      THR   7   0.871  -8.070   7.573
   59   HG23  THR   7          HG23      THR   7   0.198  -6.883   6.439
   60    H    ASP   8           HN       ASP   8  -0.825 -10.842   3.565
   61    HA   ASP   8           HA       ASP   8   1.871 -10.693   2.592
   62    HB2  ASP   8           HB2      ASP   8  -0.276 -12.752   2.019
   63    HB3  ASP   8           HB1      ASP   8   1.429 -12.904   1.651
   64    H    ASP   9           HN       ASP   9  -1.334 -10.256   1.330
   65    HA   ASP   9           HA       ASP   9  -0.572 -10.213  -1.431
   66    HB2  ASP   9           HB2      ASP   9  -2.921 -10.675  -0.552
   67    HB3  ASP   9           HB1      ASP   9  -3.051  -9.001  -0.153
   68    H    LEU  10           HN       LEU  10  -1.194  -7.819   1.068
   69    HA   LEU  10           HA       LEU  10  -0.619  -5.450  -0.306
   70    HB2  LEU  10           HB2      LEU  10  -1.509  -5.555   2.007
   71    HB3  LEU  10           HB1      LEU  10   0.053  -6.123   2.558
   72    HG   LEU  10           HG       LEU  10   1.025  -3.931   1.789
   73   HD11  LEU  10          HD11      LEU  10  -1.848  -3.153   1.521
   74   HD12  LEU  10          HD12      LEU  10  -0.683  -3.287   0.196
   75   HD13  LEU  10          HD13      LEU  10  -0.488  -2.057   1.451
   76   HD21  LEU  10          HD21      LEU  10  -1.123  -3.805   3.903
   77   HD22  LEU  10          HD22      LEU  10   0.191  -2.649   3.711
   78   HD23  LEU  10          HD23      LEU  10   0.550  -4.313   4.145
   79    H    ARG  11           HN       ARG  11   1.508  -7.751   1.296
   80    HA   ARG  11           HA       ARG  11   3.957  -6.392   1.131
   81    HB2  ARG  11           HB2      ARG  11   3.512  -8.494   2.421
   82    HB3  ARG  11           HB1      ARG  11   3.549  -9.383   0.904
   83    HG2  ARG  11           HG2      ARG  11   5.918  -8.688   0.592
   84    HG3  ARG  11           HG1      ARG  11   5.855  -7.867   2.147
   85    HD2  ARG  11           HD2      ARG  11   5.473 -10.819   1.641
   86    HD3  ARG  11           HD1      ARG  11   6.887 -10.063   2.375
   87    HE   ARG  11           HE       ARG  11   5.326  -9.393   4.216
   88   HH11  ARG  11          HH11      ARG  11   4.823 -12.371   2.330
   89   HH12  ARG  11          HH12      ARG  11   3.691 -13.003   3.459
   90   HH21  ARG  11          HH21      ARG  11   3.863 -10.439   5.791
   91   HH22  ARG  11          HH22      ARG  11   3.171 -11.970   5.383
   92    H    ARG  12           HN       ARG  12   2.389  -8.548  -1.206
   93    HA   ARG  12           HA       ARG  12   4.514  -8.474  -3.074
   94    HB2  ARG  12           HB2      ARG  12   1.663  -9.343  -3.336
   95    HB3  ARG  12           HB1      ARG  12   2.746  -9.254  -4.729
   96    HG2  ARG  12           HG2      ARG  12   4.279 -10.810  -3.498
   97    HG3  ARG  12           HG1      ARG  12   3.041 -10.948  -2.248
   98    HD2  ARG  12           HD2      ARG  12   1.483 -11.840  -3.880
   99    HD3  ARG  12           HD1      ARG  12   2.665 -11.660  -5.164
  100    HE   ARG  12           HE       ARG  12   3.703 -13.212  -3.025
  101   HH11  ARG  12          HH11      ARG  12   1.840 -13.411  -6.030
  102   HH12  ARG  12          HH12      ARG  12   1.832 -15.115  -6.102
  103   HH21  ARG  12          HH21      ARG  12   3.781 -15.617  -3.176
  104   HH22  ARG  12          HH22      ARG  12   2.982 -16.389  -4.451
  105    H    ALA  13           HN       ALA  13   1.601  -6.569  -2.732
  106    HA   ALA  13           HA       ALA  13   1.710  -5.091  -5.090
  107    HB1  ALA  13           HB1      ALA  13  -0.170  -4.950  -3.497
  108    HB2  ALA  13           HB2      ALA  13   0.428  -3.349  -3.894
  109    HB3  ALA  13           HB3      ALA  13   0.864  -4.093  -2.360
  110    H    LEU  14           HN       LEU  14   3.336  -4.478  -1.999
  111    HA   LEU  14           HA       LEU  14   4.775  -2.208  -2.822
  112    HB2  LEU  14           HB2      LEU  14   5.190  -4.221  -0.635
  113    HB3  LEU  14           HB1      LEU  14   6.477  -3.100  -1.001
  114    HG   LEU  14           HG       LEU  14   5.182  -2.411   0.927
  115   HD11  LEU  14          HD11      LEU  14   4.721  -0.599  -1.415
  116   HD12  LEU  14          HD12      LEU  14   6.168  -0.633  -0.396
  117   HD13  LEU  14          HD13      LEU  14   4.641  -0.084   0.266
  118   HD21  LEU  14          HD21      LEU  14   3.016  -3.378   0.390
  119   HD22  LEU  14          HD22      LEU  14   2.821  -2.223  -0.932
  120   HD23  LEU  14          HD23      LEU  14   2.853  -1.665   0.733
  121    H    VAL  15           HN       VAL  15   5.733  -5.654  -2.718
  122    HA   VAL  15           HA       VAL  15   8.261  -5.316  -3.714
  123    HB   VAL  15           HB       VAL  15   6.503  -7.772  -4.066
  124   HG11  VAL  15          HG11      VAL  15   8.366  -7.800  -5.669
  125   HG12  VAL  15          HG12      VAL  15   8.620  -9.006  -4.399
  126   HG13  VAL  15          HG13      VAL  15   9.494  -7.481  -4.350
  127   HG21  VAL  15          HG21      VAL  15   8.616  -7.075  -2.013
  128   HG22  VAL  15          HG22      VAL  15   7.769  -8.618  -2.113
  129   HG23  VAL  15          HG23      VAL  15   6.882  -7.138  -1.734
  130    H    GLU  16           HN       GLU  16   5.299  -5.515  -5.682
  131    HA   GLU  16           HA       GLU  16   6.657  -5.694  -8.159
  132    HB2  GLU  16           HB2      GLU  16   3.945  -4.549  -7.524
  133    HB3  GLU  16           HB1      GLU  16   4.582  -4.585  -9.157
  134    HG2  GLU  16           HG2      GLU  16   4.840  -7.130  -8.727
  135    HG3  GLU  16           HG1      GLU  16   3.688  -6.850  -7.420
  136    H    SER  17           HN       SER  17   6.063  -3.002  -6.071
  137    HA   SER  17           HA       SER  17   6.688  -1.016  -8.072
  138    HB2  SER  17           HB2      SER  17   6.385  -0.697  -5.076
  139    HB3  SER  17           HB1      SER  17   6.272   0.573  -6.302
  140    HG   SER  17           HG       SER  17   4.492  -1.635  -5.963
  141    H    ALA  18           HN       ALA  18   8.467  -3.183  -6.337
  142    HA   ALA  18           HA       ALA  18  10.811  -1.408  -6.138
  143    HB1  ALA  18           HB1      ALA  18  11.619  -2.866  -4.338
  144    HB2  ALA  18           HB2      ALA  18  10.152  -3.844  -4.479
  145    HB3  ALA  18           HB3      ALA  18  10.051  -2.158  -3.955
  146    H    GLY  19           HN       GLY  19   9.607  -3.411  -8.242
  147    HA2  GLY  19           HA2      GLY  19  11.379  -5.606  -8.465
  148    HA3  GLY  19           HA1      GLY  19  10.339  -4.987  -9.733
  149    H    GLU  20           HN       GLU  20  11.547  -2.374  -9.719
  150    HA   GLU  20           HA       GLU  20  13.949  -3.013 -11.267
  151    HB2  GLU  20           HB2      GLU  20  12.084  -0.654 -11.296
  152    HB3  GLU  20           HB1      GLU  20  13.661  -0.578 -12.063
  153    HG2  GLU  20           HG2      GLU  20  11.977  -1.028 -13.691
  154    HG3  GLU  20           HG1      GLU  20  12.985  -2.453 -13.522
  155    H    THR  21           HN       THR  21  13.642  -2.476  -8.174
  156    HA   THR  21           HA       THR  21  15.919  -0.670  -8.114
  157    HB   THR  21           HB       THR  21  14.969   0.057  -5.806
  158    HG1  THR  21           HG1      THR  21  12.670   0.055  -5.731
  159   HG21  THR  21          HG21      THR  21  15.228   1.603  -7.665
  160   HG22  THR  21          HG22      THR  21  13.729   1.920  -6.803
  161   HG23  THR  21          HG23      THR  21  13.697   1.073  -8.359
  162    H    ASP  22           HN       ASP  22  16.776  -0.735  -5.635
  163    HA   ASP  22           HA       ASP  22  16.524  -3.357  -4.518
  164    HB2  ASP  22           HB2      ASP  22  18.934  -3.741  -4.284
  165    HB3  ASP  22           HB1      ASP  22  18.567  -3.525  -5.987
  166    H    GLY  23           HN       GLY  23  16.234  -3.169  -2.492
  167    HA2  GLY  23           HA2      GLY  23  17.313  -0.833  -1.068
  168    HA3  GLY  23           HA1      GLY  23  15.585  -1.113  -1.038
  169    H    THR  24           HN       THR  24  14.904  -3.367  -0.327
  170    HA   THR  24           HA       THR  24  16.699  -4.787   1.324
  171    HB   THR  24           HB       THR  24  16.233  -2.853   2.843
  172    HG1  THR  24           HG1      THR  24  16.259  -4.190   4.450
  173   HG21  THR  24          HG21      THR  24  14.015  -2.224   1.998
  174   HG22  THR  24          HG22      THR  24  13.945  -2.479   3.731
  175   HG23  THR  24          HG23      THR  24  13.340  -3.718   2.623
  176    H    ASP  25           HN       ASP  25  14.781  -6.052   2.916
  177    HA   ASP  25           HA       ASP  25  12.832  -7.159   1.020
  178    HB2  ASP  25           HB2      ASP  25  14.888  -8.659   1.182
  179    HB3  ASP  25           HB1      ASP  25  14.570  -8.801   2.902
  180    H    LEU  26           HN       LEU  26  10.938  -7.677   2.019
  181    HA   LEU  26           HA       LEU  26  10.502  -6.487   4.627
  182    HB2  LEU  26           HB2      LEU  26   8.534  -7.910   2.832
  183    HB3  LEU  26           HB1      LEU  26   8.171  -6.845   4.183
  184    HG   LEU  26           HG       LEU  26   9.427  -6.015   1.567
  185   HD11  LEU  26          HD11      LEU  26   6.698  -5.522   2.688
  186   HD12  LEU  26          HD12      LEU  26   7.086  -6.584   1.323
  187   HD13  LEU  26          HD13      LEU  26   7.322  -4.843   1.188
  188   HD21  LEU  26          HD21      LEU  26  10.240  -4.653   3.445
  189   HD22  LEU  26          HD22      LEU  26   8.576  -4.373   3.952
  190   HD23  LEU  26          HD23      LEU  26   9.146  -3.722   2.412
  191    H    SER  27           HN       SER  27  10.525  -9.594   3.057
  192    HA   SER  27           HA       SER  27  10.377 -11.714   3.622
  193    HB2  SER  27           HB2      SER  27  12.394 -11.023   5.037
  194    HB3  SER  27           HB1      SER  27  11.288 -10.989   6.417
  195    HG   SER  27           HG       SER  27  11.446 -13.121   6.501
  196    H    GLY  28           HN       GLY  28   9.130  -9.959   6.444
  197    HA2  GLY  28           HA2      GLY  28   6.687 -11.553   6.188
  198    HA3  GLY  28           HA1      GLY  28   7.519 -11.528   7.738
  199    H    ASP  29           HN       ASP  29   7.942  -9.273   8.621
  200    HA   ASP  29           HA       ASP  29   5.412  -7.798   8.432
  201    HB2  ASP  29           HB2      ASP  29   6.424  -8.657  10.651
  202    HB3  ASP  29           HB1      ASP  29   7.594  -7.367  10.487
  203    H    PHE  30           HN       PHE  30   5.533  -5.469   8.526
  204    HA   PHE  30           HA       PHE  30   7.708  -3.859   7.993
  205    HB2  PHE  30           HB2      PHE  30   7.398  -3.290   5.667
  206    HB3  PHE  30           HB1      PHE  30   7.757  -4.997   5.787
  207    HD1  PHE  30           HD1      PHE  30   5.800  -6.640   5.704
  208    HD2  PHE  30           HD2      PHE  30   5.467  -2.591   4.482
  209    HE1  PHE  30           HE1      PHE  30   3.800  -7.217   4.393
  210    HE2  PHE  30           HE2      PHE  30   3.456  -3.158   3.148
  211    HZ   PHE  30           HZ       PHE  30   2.627  -5.480   3.113
  212    H    LEU  31           HN       LEU  31   5.001  -4.251   9.324
  213    HA   LEU  31           HA       LEU  31   3.388  -2.226   8.041
  214    HB2  LEU  31           HB2      LEU  31   2.800  -3.930  10.449
  215    HB3  LEU  31           HB1      LEU  31   1.701  -2.757   9.757
  216    HG   LEU  31           HG       LEU  31   2.701  -5.271   8.403
  217   HD11  LEU  31          HD11      LEU  31   0.396  -5.984   8.539
  218   HD12  LEU  31          HD12      LEU  31   0.007  -4.507   9.425
  219   HD13  LEU  31          HD13      LEU  31   1.083  -5.706  10.141
  220   HD21  LEU  31          HD21      LEU  31   0.785  -3.162   7.424
  221   HD22  LEU  31          HD22      LEU  31   1.109  -4.702   6.626
  222   HD23  LEU  31          HD23      LEU  31   2.393  -3.495   6.756
  223    H    ASP  32           HN       ASP  32   5.136  -2.616  11.093
  224    HA   ASP  32           HA       ASP  32   4.481   0.153  11.712
  225    HB2  ASP  32           HB2      ASP  32   6.056  -1.910  13.312
  226    HB3  ASP  32           HB1      ASP  32   5.912  -0.237  13.805
  227    H    LEU  33           HN       LEU  33   6.338  -1.123   9.611
  228    HA   LEU  33           HA       LEU  33   8.795   0.338  10.009
  229    HB2  LEU  33           HB2      LEU  33   7.711  -1.536   7.980
  230    HB3  LEU  33           HB1      LEU  33   9.057  -0.584   7.457
  231    HG   LEU  33           HG       LEU  33   8.983  -2.584   9.738
  232   HD11  LEU  33          HD11      LEU  33  10.622  -3.788   8.351
  233   HD12  LEU  33          HD12      LEU  33  10.473  -2.553   7.104
  234   HD13  LEU  33          HD13      LEU  33   9.084  -3.561   7.515
  235   HD21  LEU  33          HD21      LEU  33  11.238  -0.842   8.781
  236   HD22  LEU  33          HD22      LEU  33  11.404  -2.152   9.942
  237   HD23  LEU  33          HD23      LEU  33  10.461  -0.724  10.357
  238    H    ARG  34           HN       ARG  34   9.520   1.860   8.212
  239    HA   ARG  34           HA       ARG  34   7.249   3.682   7.778
  240    HB2  ARG  34           HB2      ARG  34  10.201   4.309   7.737
  241    HB3  ARG  34           HB1      ARG  34   8.869   5.470   7.658
  242    HG2  ARG  34           HG2      ARG  34   8.173   4.845   9.886
  243    HG3  ARG  34           HG1      ARG  34   9.502   3.670   9.984
  244    HD2  ARG  34           HD2      ARG  34  11.046   5.599   9.596
  245    HD3  ARG  34           HD1      ARG  34   9.652   6.660   9.809
  246    HE   ARG  34           HE       ARG  34   9.968   4.795  11.929
  247   HH11  ARG  34          HH11      ARG  34  10.848   7.990  10.741
  248   HH12  ARG  34          HH12      ARG  34  11.435   8.596  12.200
  249   HH21  ARG  34          HH21      ARG  34  10.721   5.568  14.024
  250   HH22  ARG  34          HH22      ARG  34  11.340   7.141  14.197
  251    H    PHE  35           HN       PHE  35   7.220   4.974   5.805
  252    HA   PHE  35           HA       PHE  35   7.451   3.250   3.567
  253    HB2  PHE  35           HB2      PHE  35   6.642   6.143   3.809
  254    HB3  PHE  35           HB1      PHE  35   6.748   5.336   2.251
  255    HD1  PHE  35           HD2      PHE  35   5.523   2.825   2.485
  256    HD2  PHE  35           HD1      PHE  35   4.423   6.438   4.525
  257    HE1  PHE  35           HE2      PHE  35   3.228   2.012   2.735
  258    HE2  PHE  35           HE1      PHE  35   2.142   5.600   4.760
  259    HZ   PHE  35           HZ       PHE  35   1.545   3.392   3.858
  260    H    GLU  36           HN       GLU  36   9.270   6.035   4.720
  261    HA   GLU  36           HA       GLU  36  10.905   6.227   2.391
  262    HB2  GLU  36           HB2      GLU  36  12.106   7.086   4.966
  263    HB3  GLU  36           HB1      GLU  36  12.043   7.930   3.443
  264    HG2  GLU  36           HG2      GLU  36  10.774   9.273   4.861
  265    HG3  GLU  36           HG1      GLU  36   9.538   8.319   4.045
  266    H    ASP  37           HN       ASP  37  10.949   4.360   5.265
  267    HA   ASP  37           HA       ASP  37  13.723   3.632   5.188
  268    HB2  ASP  37           HB2      ASP  37  12.427   3.653   7.300
  269    HB3  ASP  37           HB1      ASP  37  11.469   2.291   6.711
  270    H    ILE  38           HN       ILE  38  10.785   2.357   3.907
  271    HA   ILE  38           HA       ILE  38  12.210   0.014   2.971
  272    HB   ILE  38           HB       ILE  38  10.015  -0.735   1.973
  273   HG12  ILE  38          HG12      ILE  38   8.884   1.515   3.665
  274   HG13  ILE  38          HG11      ILE  38   8.932   1.547   1.919
  275   HG21  ILE  38          HG21      ILE  38   9.101  -1.456   4.122
  276   HG22  ILE  38          HG22      ILE  38  10.151  -0.303   4.947
  277   HG23  ILE  38          HG23      ILE  38  10.858  -1.630   4.025
  278   HD11  ILE  38          HD11      ILE  38   6.717   0.955   2.722
  279   HD12  ILE  38          HD12      ILE  38   7.396  -0.393   3.618
  280   HD13  ILE  38          HD13      ILE  38   7.439  -0.406   1.857
  281    H    GLY  39           HN       GLY  39  12.491   2.849   1.990
  282    HA2  GLY  39           HA2      GLY  39  13.601   3.470   0.075
  283    HA3  GLY  39           HA1      GLY  39  13.123   1.954  -0.675
  284    H    TYR  40           HN       TYR  40  10.619   3.962   0.736
  285    HA   TYR  40           HA       TYR  40   9.908   4.697  -2.002
  286    HB2  TYR  40           HB2      TYR  40   8.068   4.032   0.305
  287    HB3  TYR  40           HB1      TYR  40   7.528   4.766  -1.196
  288    HD1  TYR  40           HD2      TYR  40   9.335   1.807   0.100
  289    HD2  TYR  40           HD1      TYR  40   6.922   3.427  -2.987
  290    HE1  TYR  40           HE2      TYR  40   9.170  -0.398  -0.893
  291    HE2  TYR  40           HE1      TYR  40   6.745   1.206  -4.018
  292    HH   TYR  40           HH       TYR  40   8.019  -0.904  -4.012
  293    H    ASP  41           HN       ASP  41   9.688   6.684  -2.452
  294    HA   ASP  41           HA       ASP  41   9.988   8.668  -0.398
  295    HB2  ASP  41           HB2      ASP  41   9.703  10.207  -2.531
  296    HB3  ASP  41           HB1      ASP  41  11.199   9.388  -2.191
  297    H    SER  42           HN       SER  42   8.102   8.798  -3.098
  298    HA   SER  42           HA       SER  42   5.509   8.684  -1.857
  299    HB2  SER  42           HB2      SER  42   6.171  10.891  -1.138
  300    HB3  SER  42           HB1      SER  42   6.456  11.382  -2.827
  301    H    LEU  43           HN       LEU  43   7.454   9.780  -4.581
  302    HA   LEU  43           HA       LEU  43   5.733   9.590  -6.734
  303    HB2  LEU  43           HB2      LEU  43   8.022  10.441  -6.920
  304    HB3  LEU  43           HB1      LEU  43   8.663   8.865  -6.512
  305    HG   LEU  43           HG       LEU  43   7.603   8.003  -8.627
  306   HD11  LEU  43          HD11      LEU  43   7.388  10.926  -9.239
  307   HD12  LEU  43          HD12      LEU  43   6.043   9.800  -9.062
  308   HD13  LEU  43          HD13      LEU  43   7.185   9.616 -10.401
  309   HD21  LEU  43          HD21      LEU  43   9.828  10.041  -8.856
  310   HD22  LEU  43          HD22      LEU  43   9.421   8.803 -10.050
  311   HD23  LEU  43          HD23      LEU  43   9.982   8.327  -8.449
  312    H    ALA  44           HN       ALA  44   7.867   7.159  -5.323
  313    HA   ALA  44           HA       ALA  44   7.029   4.999  -6.970
  314    HB1  ALA  44           HB1      ALA  44   8.416   4.945  -4.292
  315    HB2  ALA  44           HB2      ALA  44   9.219   5.096  -5.855
  316    HB3  ALA  44           HB3      ALA  44   8.351   3.611  -5.449
  317    H    LEU  45           HN       LEU  45   5.792   6.404  -4.122
  318    HA   LEU  45           HA       LEU  45   4.439   4.046  -3.168
  319    HB2  LEU  45           HB2      LEU  45   5.352   5.925  -1.726
  320    HB3  LEU  45           HB1      LEU  45   4.016   6.896  -2.329
  321    HG   LEU  45           HG       LEU  45   3.459   4.315  -0.863
  322   HD11  LEU  45          HD11      LEU  45   3.920   7.021   0.371
  323   HD12  LEU  45          HD12      LEU  45   4.920   5.570   0.584
  324   HD13  LEU  45          HD13      LEU  45   3.267   5.597   1.189
  325   HD21  LEU  45          HD21      LEU  45   1.631   5.413  -2.034
  326   HD22  LEU  45          HD22      LEU  45   1.966   6.909  -1.162
  327   HD23  LEU  45          HD23      LEU  45   1.392   5.485  -0.286
  328    H    MET  46           HN       MET  46   3.486   6.944  -5.025
  329    HA   MET  46           HA       MET  46   0.755   6.405  -5.096
  330    HB2  MET  46           HB2      MET  46   2.469   7.540  -7.291
  331    HB3  MET  46           HB1      MET  46   0.712   7.496  -7.351
  332    HG2  MET  46           HG2      MET  46   0.821   8.778  -5.155
  333    HG3  MET  46           HG1      MET  46   2.505   9.055  -5.563
  334    HE1  MET  46           HE1      MET  46  -1.192   9.583  -6.785
  335    HE2  MET  46           HE2      MET  46  -0.449   8.736  -8.147
  336    HE3  MET  46           HE3      MET  46  -0.941  10.428  -8.326
  337    H    GLU  47           HN       GLU  47   3.305   4.972  -7.039
  338    HA   GLU  47           HA       GLU  47   1.669   3.521  -8.788
  339    HB2  GLU  47           HB2      GLU  47   4.451   2.912  -7.783
  340    HB3  GLU  47           HB1      GLU  47   3.675   2.103  -9.137
  341    HG2  GLU  47           HG2      GLU  47   4.249   5.054  -9.015
  342    HG3  GLU  47           HG1      GLU  47   5.267   3.899  -9.857
  343    H    THR  48           HN       THR  48   2.924   2.727  -5.592
  344    HA   THR  48           HA       THR  48   2.062   0.058  -5.474
  345    HB   THR  48           HB       THR  48   2.328   2.007  -3.180
  346    HG1  THR  48           HG1      THR  48   4.175   0.770  -4.891
  347   HG21  THR  48          HG21      THR  48   1.357  -0.190  -2.614
  348   HG22  THR  48          HG22      THR  48   2.965   0.004  -1.926
  349   HG23  THR  48          HG23      THR  48   2.740  -0.989  -3.371
  350    H    ALA  49           HN       ALA  49   0.472   3.105  -4.530
  351    HA   ALA  49           HA       ALA  49  -1.886   1.931  -3.473
  352    HB1  ALA  49           HB1      ALA  49  -1.512   4.665  -4.694
  353    HB2  ALA  49           HB2      ALA  49  -1.252   4.239  -2.997
  354    HB3  ALA  49           HB3      ALA  49  -2.870   4.149  -3.685
  355    H    ALA  50           HN       ALA  50  -1.139   3.321  -6.673
  356    HA   ALA  50           HA       ALA  50  -3.616   2.900  -7.879
  357    HB1  ALA  50           HB1      ALA  50  -2.430   3.151 -10.016
  358    HB2  ALA  50           HB2      ALA  50  -0.895   2.913  -9.196
  359    HB3  ALA  50           HB3      ALA  50  -1.866   4.329  -8.836
  360    H    ARG  51           HN       ARG  51  -0.906   0.775  -7.440
  361    HA   ARG  51           HA       ARG  51  -1.459  -1.411  -9.054
  362    HB2  ARG  51           HB2      ARG  51   0.525  -1.107  -7.595
  363    HB3  ARG  51           HB1      ARG  51  -0.474  -1.433  -6.193
  364    HG2  ARG  51           HG2      ARG  51   0.504  -3.456  -6.508
  365    HG3  ARG  51           HG1      ARG  51  -0.959  -3.680  -7.463
  366    HD2  ARG  51           HD2      ARG  51   1.787  -2.978  -8.470
  367    HD3  ARG  51           HD1      ARG  51   0.942  -4.499  -8.693
  368    HE   ARG  51           HE       ARG  51  -0.046  -2.000  -9.877
  369   HH11  ARG  51          HH11      ARG  51   1.045  -5.381 -10.242
  370   HH12  ARG  51          HH12      ARG  51   0.739  -5.464 -11.895
  371   HH21  ARG  51          HH21      ARG  51  -0.418  -2.065 -12.203
  372   HH22  ARG  51          HH22      ARG  51  -0.179  -3.512 -13.060
  373    H    LEU  52           HN       LEU  52  -2.685  -0.674  -5.796
  374    HA   LEU  52           HA       LEU  52  -4.232  -3.082  -5.684
  375    HB2  LEU  52           HB2      LEU  52  -4.191  -0.711  -3.815
  376    HB3  LEU  52           HB1      LEU  52  -5.074  -2.182  -3.509
  377    HG   LEU  52           HG       LEU  52  -2.076  -1.952  -3.744
  378   HD11  LEU  52          HD11      LEU  52  -2.934  -0.995  -1.662
  379   HD12  LEU  52          HD12      LEU  52  -2.074  -2.506  -1.369
  380   HD13  LEU  52          HD13      LEU  52  -3.841  -2.484  -1.367
  381   HD21  LEU  52          HD21      LEU  52  -3.805  -4.347  -3.126
  382   HD22  LEU  52          HD22      LEU  52  -2.041  -4.311  -3.056
  383   HD23  LEU  52          HD23      LEU  52  -2.869  -4.105  -4.586
  384    H    GLU  53           HN       GLU  53  -4.924   0.340  -6.192
  385    HA   GLU  53           HA       GLU  53  -7.741   0.247  -6.229
  386    HB2  GLU  53           HB2      GLU  53  -5.887   1.921  -7.952
  387    HB3  GLU  53           HB1      GLU  53  -7.592   2.231  -7.701
  388    HG2  GLU  53           HG2      GLU  53  -7.112   2.698  -5.344
  389    HG3  GLU  53           HG1      GLU  53  -5.399   2.397  -5.653
  390    H    SER  54           HN       SER  54  -5.381  -0.298  -8.825
  391    HA   SER  54           HA       SER  54  -7.304  -0.701 -10.861
  392    HB2  SER  54           HB2      SER  54  -4.414  -1.540 -10.765
  393    HB3  SER  54           HB1      SER  54  -5.409  -1.407 -12.214
  394    HG   SER  54           HG       SER  54  -4.472   0.650 -10.495
  395    H    ARG  55           HN       ARG  55  -5.907  -2.861  -8.504
  396    HA   ARG  55           HA       ARG  55  -6.641  -5.188 -10.069
  397    HB2  ARG  55           HB2      ARG  55  -4.567  -5.186  -8.654
  398    HB3  ARG  55           HB1      ARG  55  -5.586  -5.163  -7.225
  399    HG2  ARG  55           HG2      ARG  55  -6.578  -7.328  -7.946
  400    HG3  ARG  55           HG1      ARG  55  -5.488  -7.310  -9.328
  401    HD2  ARG  55           HD2      ARG  55  -3.578  -7.239  -7.711
  402    HD3  ARG  55           HD1      ARG  55  -4.760  -7.442  -6.412
  403    HE   ARG  55           HE       ARG  55  -4.781  -9.420  -8.526
  404   HH11  ARG  55          HH11      ARG  55  -3.881  -8.638  -5.162
  405   HH12  ARG  55          HH12      ARG  55  -3.559 -10.167  -4.673
  406   HH21  ARG  55          HH21      ARG  55  -4.394 -11.633  -7.896
  407   HH22  ARG  55          HH22      ARG  55  -3.908 -12.022  -6.300
  408    H    TYR  56           HN       TYR  56  -7.792  -3.473  -7.226
  409    HA   TYR  56           HA       TYR  56  -9.907  -5.453  -6.969
  410    HB2  TYR  56           HB2      TYR  56  -8.899  -3.397  -5.003
  411    HB3  TYR  56           HB1      TYR  56 -10.320  -4.387  -4.697
  412    HD1  TYR  56           HD1      TYR  56 -10.086  -6.809  -4.283
  413    HD2  TYR  56           HD2      TYR  56  -6.656  -4.376  -4.942
  414    HE1  TYR  56           HE1      TYR  56  -8.657  -8.575  -3.353
  415    HE2  TYR  56           HE2      TYR  56  -5.222  -6.144  -4.024
  416    HH   TYR  56           HH       TYR  56  -6.394  -9.347  -3.250
  417    H    GLY  57           HN       GLY  57  -9.494  -2.340  -8.218
  418    HA2  GLY  57           HA2      GLY  57 -11.079  -1.237  -9.479
  419    HA3  GLY  57           HA1      GLY  57 -12.330  -2.238  -8.787
  420    H    VAL  58           HN       VAL  58  -9.932  -0.258  -7.110
  421    HA   VAL  58           HA       VAL  58 -12.208   1.176  -5.934
  422    HB   VAL  58           HB       VAL  58 -11.319   1.135  -3.776
  423   HG11  VAL  58          HG11      VAL  58 -10.839  -1.169  -3.220
  424   HG12  VAL  58          HG12      VAL  58 -10.379  -1.420  -4.895
  425   HG13  VAL  58          HG13      VAL  58 -12.080  -1.081  -4.508
  426   HG21  VAL  58          HG21      VAL  58  -9.072   0.475  -3.110
  427   HG22  VAL  58          HG22      VAL  58  -9.006   1.834  -4.238
  428   HG23  VAL  58          HG23      VAL  58  -8.614   0.196  -4.795
  429    H    SER  59           HN       SER  59 -11.172   3.251  -4.670
  430    HA   SER  59           HA       SER  59  -8.883   4.257  -6.021
  431    HB2  SER  59           HB2      SER  59 -10.829   5.050  -7.438
  432    HB3  SER  59           HB1      SER  59 -11.444   5.901  -6.011
  433    HG   SER  59           HG       SER  59  -8.808   6.287  -6.789
  434    H    ILE  60           HN       ILE  60  -7.760   5.525  -4.713
  435    HA   ILE  60           HA       ILE  60  -8.728   5.724  -1.959
  436    HB   ILE  60           HB       ILE  60  -5.953   6.062  -3.144
  437   HG12  ILE  60          HG12      ILE  60  -6.680   3.763  -2.980
  438   HG13  ILE  60          HG11      ILE  60  -5.424   4.070  -1.791
  439   HG21  ILE  60          HG21      ILE  60  -6.771   6.330  -0.243
  440   HG22  ILE  60          HG22      ILE  60  -6.154   7.642  -1.258
  441   HG23  ILE  60          HG23      ILE  60  -5.109   6.277  -0.827
  442   HD11  ILE  60          HD11      ILE  60  -7.224   2.687  -0.852
  443   HD12  ILE  60          HD12      ILE  60  -8.384   3.950  -1.236
  444   HD13  ILE  60          HD13      ILE  60  -7.139   4.255  -0.037
  445    HA   PRO  61           HA       PRO  61  -9.714   9.996  -2.711
  446    HB2  PRO  61           HB2      PRO  61  -9.952  10.256   0.189
  447    HB3  PRO  61           HB1      PRO  61 -11.209  10.409  -1.045
  448    HG2  PRO  61           HG2      PRO  61 -11.142   8.315   0.657
  449    HG3  PRO  61           HG1      PRO  61 -11.712   8.158  -1.011
  450    HD2  PRO  61           HD2      PRO  61  -9.055   7.450   0.163
  451    HD3  PRO  61           HD1      PRO  61 -10.034   6.525  -0.992
  452    H    ASP  62           HN       ASP  62  -8.365  11.490  -3.018
  453    HA   ASP  62           HA       ASP  62  -5.697  11.727  -2.418
  454    HB2  ASP  62           HB2      ASP  62  -6.783  13.033  -4.159
  455    HB3  ASP  62           HB1      ASP  62  -7.708  13.913  -2.960
  456    H    ASP  63           HN       ASP  63  -8.215  13.600  -0.787
  457    HA   ASP  63           HA       ASP  63  -6.707  14.903   1.156
  458    HB2  ASP  63           HB2      ASP  63  -9.554  13.939   1.396
  459    HB3  ASP  63           HB1      ASP  63  -8.805  15.183   2.389
  460    H    VAL  64           HN       VAL  64  -7.927  11.643   1.133
  461    HA   VAL  64           HA       VAL  64  -7.578  11.324   3.983
  462    HB   VAL  64           HB       VAL  64  -8.489   9.312   1.901
  463   HG11  VAL  64          HG11      VAL  64  -8.597   9.129   4.896
  464   HG12  VAL  64          HG12      VAL  64  -7.533   8.190   3.833
  465   HG13  VAL  64          HG13      VAL  64  -9.280   7.958   3.758
  466   HG21  VAL  64          HG21      VAL  64 -10.053  10.937   3.905
  467   HG22  VAL  64          HG22      VAL  64 -10.722   9.693   2.828
  468   HG23  VAL  64          HG23      VAL  64 -10.032  11.178   2.164
  469    H    ALA  65           HN       ALA  65  -5.892  10.600   1.057
  470    HA   ALA  65           HA       ALA  65  -4.224   8.504   1.913
  471    HB1  ALA  65           HB1      ALA  65  -4.603   9.116  -0.427
  472    HB2  ALA  65           HB2      ALA  65  -2.887   9.048  -0.042
  473    HB3  ALA  65           HB3      ALA  65  -3.699  10.607  -0.180
  474    H    GLY  66           HN       GLY  66  -3.876  11.970   2.105
  475    HA2  GLY  66           HA2      GLY  66  -1.183  11.770   3.184
  476    HA3  GLY  66           HA1      GLY  66  -2.088  13.268   2.976
  477    H    ARG  67           HN       ARG  67  -3.167  10.410   4.730
  478    HA   ARG  67           HA       ARG  67  -2.844  11.917   7.228
  479    HB2  ARG  67           HB2      ARG  67  -5.310  10.275   6.532
  480    HB3  ARG  67           HB1      ARG  67  -5.033  11.113   8.041
  481    HG2  ARG  67           HG2      ARG  67  -5.030  13.271   6.813
  482    HG3  ARG  67           HG1      ARG  67  -5.356  12.400   5.321
  483    HD2  ARG  67           HD2      ARG  67  -7.445  11.518   6.399
  484    HD3  ARG  67           HD1      ARG  67  -7.112  12.605   7.749
  485    HE   ARG  67           HE       ARG  67  -7.276  13.712   5.064
  486   HH11  ARG  67          HH11      ARG  67  -8.668  13.500   8.343
  487   HH12  ARG  67          HH12      ARG  67  -9.924  14.602   8.052
  488   HH21  ARG  67          HH21      ARG  67  -9.066  15.334   4.698
  489   HH22  ARG  67          HH22      ARG  67 -10.135  15.679   6.001
  490    H    VAL  68           HN       VAL  68  -1.605   9.412   5.735
  491    HA   VAL  68           HA       VAL  68  -1.691   7.590   8.042
  492    HB   VAL  68           HB       VAL  68  -0.732   5.863   6.522
  493   HG11  VAL  68          HG11      VAL  68  -2.694   5.487   5.127
  494   HG12  VAL  68          HG12      VAL  68  -3.228   7.138   5.439
  495   HG13  VAL  68          HG13      VAL  68  -3.140   5.940   6.774
  496   HG21  VAL  68          HG21      VAL  68  -0.657   6.231   4.096
  497   HG22  VAL  68          HG22      VAL  68   0.425   7.362   4.926
  498   HG23  VAL  68          HG23      VAL  68  -1.138   7.908   4.334
  499    H    ASP  69           HN       ASP  69   0.477   6.349   8.303
  500    HA   ASP  69           HA       ASP  69   2.830   7.816   7.412
  501    HB2  ASP  69           HB2      ASP  69   2.097   7.414  10.279
  502    HB3  ASP  69           HB1      ASP  69   3.769   7.126   9.838
  503    H    THR  70           HN       THR  70   1.365   4.895   8.556
  504    HA   THR  70           HA       THR  70   3.784   3.454   7.664
  505    HB   THR  70           HB       THR  70   3.058   1.666   9.298
  506    HG1  THR  70           HG1      THR  70   1.253   3.736  10.013
  507   HG21  THR  70          HG21      THR  70   3.975   2.818  11.279
  508   HG22  THR  70          HG22      THR  70   3.762   4.374  10.476
  509   HG23  THR  70          HG23      THR  70   4.908   3.191   9.835
  510    HA   PRO  71           HA       PRO  71   1.424   0.948   4.725
  511    HB2  PRO  71           HB2      PRO  71   2.766  -1.352   6.079
  512    HB3  PRO  71           HB1      PRO  71   2.692  -0.956   4.355
  513    HG2  PRO  71           HG2      PRO  71   4.895  -0.558   5.718
  514    HG3  PRO  71           HG1      PRO  71   4.393   0.649   4.531
  515    HD2  PRO  71           HD2      PRO  71   4.229   0.747   7.511
  516    HD3  PRO  71           HD1      PRO  71   4.542   2.055   6.364
  517    H    ARG  72           HN       ARG  72   1.622   0.192   8.058
  518    HA   ARG  72           HA       ARG  72  -0.320  -1.730   8.571
  519    HB2  ARG  72           HB2      ARG  72   1.266  -0.800  10.193
  520    HB3  ARG  72           HB1      ARG  72   0.419   0.740  10.116
  521    HG2  ARG  72           HG2      ARG  72  -1.566  -0.402  11.071
  522    HG3  ARG  72           HG1      ARG  72  -0.580  -1.850  11.279
  523    HD2  ARG  72           HD2      ARG  72  -0.594  -0.599  13.343
  524    HD3  ARG  72           HD1      ARG  72   1.023  -0.511  12.625
  525    HE   ARG  72           HE       ARG  72  -0.566   1.675  11.792
  526   HH11  ARG  72          HH11      ARG  72   1.665   0.631  14.378
  527   HH12  ARG  72          HH12      ARG  72   1.638   2.125  15.178
  528   HH21  ARG  72          HH21      ARG  72  -0.502   3.831  12.891
  529   HH22  ARG  72          HH22      ARG  72   0.317   3.913  14.374
  530    H    GLU  73           HN       GLU  73  -0.592   1.755   8.186
  531    HA   GLU  73           HA       GLU  73  -3.411   1.830   8.766
  532    HB2  GLU  73           HB2      GLU  73  -1.410   3.935   7.981
  533    HB3  GLU  73           HB1      GLU  73  -3.026   4.290   8.570
  534    HG2  GLU  73           HG2      GLU  73  -2.577   3.466  10.703
  535    HG3  GLU  73           HG1      GLU  73  -1.171   2.565  10.131
  536    H    LEU  74           HN       LEU  74  -1.313   1.776   6.049
  537    HA   LEU  74           HA       LEU  74  -3.110   2.671   4.005
  538    HB2  LEU  74           HB2      LEU  74  -0.562   2.292   3.979
  539    HB3  LEU  74           HB1      LEU  74  -0.903   0.609   3.710
  540    HG   LEU  74           HG       LEU  74  -1.588   2.906   1.853
  541   HD11  LEU  74          HD11      LEU  74   0.121   1.936   0.391
  542   HD12  LEU  74          HD12      LEU  74   0.467   0.742   1.647
  543   HD13  LEU  74          HD13      LEU  74   0.756   2.455   1.954
  544   HD21  LEU  74          HD21      LEU  74  -1.921  -0.064   1.385
  545   HD22  LEU  74          HD22      LEU  74  -2.254   1.224   0.211
  546   HD23  LEU  74          HD23      LEU  74  -3.217   1.099   1.686
  547    H    LEU  75           HN       LEU  75  -2.328  -0.502   5.386
  548    HA   LEU  75           HA       LEU  75  -3.965  -2.120   3.838
  549    HB2  LEU  75           HB2      LEU  75  -2.230  -2.934   5.379
  550    HB3  LEU  75           HB1      LEU  75  -3.219  -2.443   6.738
  551    HG   LEU  75           HG       LEU  75  -4.928  -4.115   5.986
  552   HD11  LEU  75          HD11      LEU  75  -4.244  -5.868   4.421
  553   HD12  LEU  75          HD12      LEU  75  -2.736  -4.989   4.136
  554   HD13  LEU  75          HD13      LEU  75  -4.270  -4.263   3.663
  555   HD21  LEU  75          HD21      LEU  75  -3.678  -6.055   6.845
  556   HD22  LEU  75          HD22      LEU  75  -3.379  -4.602   7.798
  557   HD23  LEU  75          HD23      LEU  75  -2.171  -5.160   6.645
  558    H    ASP  76           HN       ASP  76  -4.661  -0.477   6.908
  559    HA   ASP  76           HA       ASP  76  -7.249  -1.433   7.415
  560    HB2  ASP  76           HB2      ASP  76  -5.805  -0.142   9.015
  561    HB3  ASP  76           HB1      ASP  76  -6.153   1.317   8.098
  562    H    LEU  77           HN       LEU  77  -6.123   1.454   5.719
  563    HA   LEU  77           HA       LEU  77  -8.574   2.624   5.133
  564    HB2  LEU  77           HB2      LEU  77  -6.397   3.751   4.966
  565    HB3  LEU  77           HB1      LEU  77  -6.008   2.764   3.575
  566    HG   LEU  77           HG       LEU  77  -7.805   3.798   2.284
  567   HD11  LEU  77          HD11      LEU  77  -8.926   5.782   3.150
  568   HD12  LEU  77          HD12      LEU  77  -8.130   5.527   4.710
  569   HD13  LEU  77          HD13      LEU  77  -9.305   4.343   4.116
  570   HD21  LEU  77          HD21      LEU  77  -5.556   4.733   2.169
  571   HD22  LEU  77          HD22      LEU  77  -5.911   5.762   3.556
  572   HD23  LEU  77          HD23      LEU  77  -6.767   5.995   2.034
  573    H    ILE  78           HN       ILE  78  -6.737   0.233   3.285
  574    HA   ILE  78           HA       ILE  78  -8.446   0.314   1.003
  575    HB   ILE  78           HB       ILE  78  -6.613  -1.950   1.922
  576   HG12  ILE  78          HG12      ILE  78  -5.430   0.186   1.439
  577   HG13  ILE  78          HG11      ILE  78  -4.998  -1.112   0.338
  578   HG21  ILE  78          HG21      ILE  78  -6.739  -2.776  -0.367
  579   HG22  ILE  78          HG22      ILE  78  -7.929  -1.541  -0.777
  580   HG23  ILE  78          HG23      ILE  78  -8.301  -2.779   0.439
  581   HD11  ILE  78          HD11      ILE  78  -6.460  -0.162  -1.373
  582   HD12  ILE  78          HD12      ILE  78  -5.226   0.983  -0.857
  583   HD13  ILE  78          HD13      ILE  78  -6.886   1.155  -0.280
  584    H    ASN  79           HN       ASN  79  -8.139  -1.920   3.730
  585    HA   ASN  79           HA       ASN  79 -10.247  -3.684   3.069
  586    HB2  ASN  79           HB2      ASN  79  -8.937  -2.971   5.684
  587    HB3  ASN  79           HB1      ASN  79 -10.324  -4.027   5.639
  588   HD21  ASN  79          HD21      ASN  79  -7.769  -4.101   3.139
  589   HD22  ASN  79          HD22      ASN  79  -7.191  -5.646   3.650
  590    H    GLY  80           HN       GLY  80 -10.270  -0.690   4.953
  591    HA2  GLY  80           HA2      GLY  80 -12.960  -0.840   5.797
  592    HA3  GLY  80           HA1      GLY  80 -11.983   0.619   5.687
  593    H    ALA  81           HN       ALA  81 -11.498   0.774   2.961
  594    HA   ALA  81           HA       ALA  81 -13.893   1.995   2.164
  595    HB1  ALA  81           HB1      ALA  81 -12.726   2.477   0.066
  596    HB2  ALA  81           HB2      ALA  81 -11.471   1.313   0.505
  597    HB3  ALA  81           HB3      ALA  81 -11.681   2.774   1.461
  598    H    LEU  82           HN       LEU  82 -12.518  -1.111   1.497
  599    HA   LEU  82           HA       LEU  82 -14.128  -1.976  -0.638
  600    HB2  LEU  82           HB2      LEU  82 -13.024  -3.567   1.670
  601    HB3  LEU  82           HB1      LEU  82 -13.666  -4.265   0.194
  602    HG   LEU  82           HG       LEU  82 -11.236  -2.472   0.322
  603   HD11  LEU  82          HD11      LEU  82  -9.950  -4.483  -0.032
  604   HD12  LEU  82          HD12      LEU  82 -11.420  -5.461   0.078
  605   HD13  LEU  82          HD13      LEU  82 -10.862  -4.537   1.488
  606   HD21  LEU  82          HD21      LEU  82 -10.843  -3.265  -1.954
  607   HD22  LEU  82          HD22      LEU  82 -12.395  -2.432  -1.839
  608   HD23  LEU  82          HD23      LEU  82 -12.330  -4.195  -1.902
  609    H    ALA  83           HN       ALA  83 -14.755  -1.750   2.795
  610    HA   ALA  83           HA       ALA  83 -17.105  -3.389   2.711
  611    HB1  ALA  83           HB1      ALA  83 -17.320  -2.887   5.082
  612    HB2  ALA  83           HB2      ALA  83 -16.044  -1.678   4.959
  613    HB3  ALA  83           HB3      ALA  83 -15.667  -3.378   4.691
  614    H    GLU  84           HN       GLU  84 -16.489  -0.197   1.860
  615    HA   GLU  84           HA       GLU  84 -19.106   0.776   2.646
  616    HB2  GLU  84           HB2      GLU  84 -17.076   2.137   0.870
  617    HB3  GLU  84           HB1      GLU  84 -18.443   2.880   1.674
  618    HG2  GLU  84           HG2      GLU  84 -17.336   2.193   3.858
  619    HG3  GLU  84           HG1      GLU  84 -15.912   1.864   2.887
  620    H    ALA  85           HN       ALA  85 -17.705  -0.887   0.137
  621    HA   ALA  85           HA       ALA  85 -19.785  -0.171  -1.787
  622    HB1  ALA  85           HB1      ALA  85 -17.451  -2.078  -2.059
  623    HB2  ALA  85           HB2      ALA  85 -17.501  -0.415  -2.648
  624    HB3  ALA  85           HB3      ALA  85 -18.577  -1.629  -3.347
  625    H    ALA  86           HN       ALA  86 -18.454  -2.997  -0.169
  626    HA   ALA  86           HA       ALA  86 -19.233  -4.979   0.466
  627    HB1  ALA  86           HB1      ALA  86 -21.366  -5.026   1.610
  628    HB2  ALA  86           HB2      ALA  86 -21.844  -3.521   0.846
  629    HB3  ALA  86           HB3      ALA  86 -20.510  -3.534   1.996
  630   H28A  SXR 101          H28A      SXR  42   5.515  11.806  -5.589
  631   H28B  SXR 101          H28B      SXR  42   3.980  11.335  -4.865
  632   H30A  SXR 101          H30A      SXR  42   1.985  14.052  -6.081
  633   H30B  SXR 101          H30B      SXR  42   2.444  13.224  -4.596
  634   H30C  SXR 101          H30C      SXR  42   1.871  12.293  -5.978
  635   H31A  SXR 101          H31A      SXR  42   4.680  14.623  -7.330
  636   H31B  SXR 101          H31B      SXR  42   5.430  14.417  -5.754
  637   H31C  SXR 101          H31C      SXR  42   3.828  15.151  -5.882
  638   H32A  SXR 101          H32A      SXR  42   3.531  11.263  -7.492
  639   H33A  SXR 101          H33A      SXR  42   5.134  12.893  -8.827
  640   H36A  SXR 101          H36A      SXR  42   1.468  12.071  -8.158
  641   H37A  SXR 101          H37A      SXR  42   1.493  14.176 -10.260
  642   H37B  SXR 101          H37B      SXR  42   0.508  12.706 -10.394
  643   H38A  SXR 101          H38A      SXR  42  -0.811  14.688  -9.699
  644   H38B  SXR 101          H38B      SXR  42  -0.830  13.395  -8.506
  645   H41A  SXR 101          H41A      SXR  42  -1.000  14.357  -6.629
  646   H42A  SXR 101          H42A      SXR  42   0.735  15.104  -4.972
  647   H42B  SXR 101          H42B      SXR  42   0.748  16.595  -5.896
  648   H43A  SXR 101          H43A      SXR  42  -1.671  15.347  -4.550
  649   H43B  SXR 101          H43B      SXR  42  -1.620  16.979  -5.253
  650   H11A  SXR 101          H11A      SXR  42  -0.641  10.339  -3.810
  651   H10A  SXR 101          H10A      SXR  42  -1.455   8.167  -4.673
  652    H9A  SXR 101           H9A      SXR  42  -1.765   6.283  -3.112
  653    H8A  SXR 101           H8A      SXR  42  -1.256   6.560  -0.715
  654    H7A  SXR 101           H7A      SXR  42  -0.450   8.719   0.137
  655    H5A  SXR 101           H5A      SXR  42   0.539  11.176  -0.341
  656    H5B  SXR 101           H5B      SXR  42   0.957  10.801  -1.749
  657    H4A  SXR 101           H4A      SXR  42  -0.828  12.363  -2.919
  658    H4B  SXR 101           H4B      SXR  42  -1.632  11.604  -1.912
  659    H2A  SXR 101           H2A      SXR  42  -2.181  15.087  -1.896
  660    H2B  SXR 101           H2B      SXR  42  -1.308  15.228  -0.696
  661    H1A  SXR 101           H1A      SXR  42   0.973  15.051  -2.435
  662    H1B  SXR 101           H1B      SXR  42  -0.225  14.506  -3.206
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1 -21.073  -6.350  -2.903
    2    H2   MET   1           HT2      MET   1 -19.687  -5.363  -2.637
    3    H3   MET   1           HT3      MET   1 -20.581  -5.929  -1.367
    4    HA   MET   1           HA       MET   1 -19.825  -7.997  -1.415
    5    HB2  MET   1           HB2      MET   1 -18.896  -7.424  -4.240
    6    HB3  MET   1           HB1      MET   1 -18.415  -8.859  -3.338
    7    HG2  MET   1           HG2      MET   1 -21.248  -8.124  -4.029
    8    HG3  MET   1           HG1      MET   1 -20.256  -9.294  -4.902
    9    HE1  MET   1           HE1      MET   1 -22.247 -11.028  -4.594
   10    HE2  MET   1           HE2      MET   1 -23.163  -9.843  -3.666
   11    HE3  MET   1           HE3      MET   1 -22.930 -11.480  -3.032
   12    H    ALA   2           HN       ALA   2 -17.819  -8.530  -0.489
   13    HA   ALA   2           HA       ALA   2 -15.826  -6.387  -0.678
   14    HB1  ALA   2           HB1      ALA   2 -15.282  -6.807   1.672
   15    HB2  ALA   2           HB2      ALA   2 -16.525  -8.059   1.745
   16    HB3  ALA   2           HB3      ALA   2 -16.982  -6.375   1.482
   17    H    THR   3           HN       THR   3 -13.651  -7.028  -0.431
   18    HA   THR   3           HA       THR   3 -12.946  -9.771  -0.459
   19    HB   THR   3           HB       THR   3 -13.510  -9.556  -2.809
   20    HG1  THR   3           HG1      THR   3 -11.761 -10.786  -2.670
   21   HG21  THR   3          HG21      THR   3 -13.430  -7.140  -3.155
   22   HG22  THR   3          HG22      THR   3 -12.416  -7.941  -4.342
   23   HG23  THR   3          HG23      THR   3 -11.678  -7.149  -2.938
   24    H    LEU   4           HN       LEU   4 -11.945  -9.098   1.447
   25    HA   LEU   4           HA       LEU   4 -10.131  -6.899   1.473
   26    HB2  LEU   4           HB2      LEU   4 -10.848  -8.928   3.581
   27    HB3  LEU   4           HB1      LEU   4  -9.549  -7.791   3.816
   28    HG   LEU   4           HG       LEU   4 -11.209  -5.933   3.509
   29   HD11  LEU   4          HD11      LEU   4 -13.243  -8.148   3.753
   30   HD12  LEU   4          HD12      LEU   4 -12.959  -7.143   2.326
   31   HD13  LEU   4          HD13      LEU   4 -13.570  -6.413   3.812
   32   HD21  LEU   4          HD21      LEU   4 -11.654  -7.850   5.794
   33   HD22  LEU   4          HD22      LEU   4 -12.155  -6.155   5.756
   34   HD23  LEU   4          HD23      LEU   4 -10.439  -6.572   5.687
   35    H    LEU   5           HN       LEU   5  -8.447  -7.099   0.275
   36    HA   LEU   5           HA       LEU   5  -6.707  -9.257  -0.021
   37    HB2  LEU   5           HB2      LEU   5  -4.965  -7.680  -0.690
   38    HB3  LEU   5           HB1      LEU   5  -6.500  -7.233  -1.392
   39    HG   LEU   5           HG       LEU   5  -5.691  -5.824   1.130
   40   HD11  LEU   5          HD11      LEU   5  -4.369  -4.215  -0.152
   41   HD12  LEU   5          HD12      LEU   5  -4.536  -5.200  -1.602
   42   HD13  LEU   5          HD13      LEU   5  -3.631  -5.808  -0.212
   43   HD21  LEU   5          HD21      LEU   5  -7.106  -5.018  -1.424
   44   HD22  LEU   5          HD22      LEU   5  -6.681  -3.902  -0.148
   45   HD23  LEU   5          HD23      LEU   5  -7.840  -5.182   0.181
   46    H    THR   6           HN       THR   6  -4.735  -9.792   1.004
   47    HA   THR   6           HA       THR   6  -4.859  -9.233   3.860
   48    HB   THR   6           HB       THR   6  -3.315 -11.147   4.087
   49    HG1  THR   6           HG1      THR   6  -3.530 -11.244   1.220
   50   HG21  THR   6          HG21      THR   6  -5.731 -11.734   2.364
   51   HG22  THR   6          HG22      THR   6  -5.746 -11.532   4.118
   52   HG23  THR   6          HG23      THR   6  -4.892 -12.897   3.392
   53    H    THR   7           HN       THR   7  -2.414  -9.532   4.818
   54    HA   THR   7           HA       THR   7  -1.013  -7.211   4.029
   55    HB   THR   7           HB       THR   7  -0.003  -9.427   5.834
   56    HG1  THR   7           HG1      THR   7  -1.218  -8.311   7.511
   57   HG21  THR   7          HG21      THR   7   1.550  -7.604   5.297
   58   HG22  THR   7          HG22      THR   7   1.062  -7.499   6.985
   59   HG23  THR   7          HG23      THR   7   0.343  -6.420   5.783
   60    H    ASP   8           HN       ASP   8  -0.940 -10.566   3.195
   61    HA   ASP   8           HA       ASP   8   1.706 -10.676   2.200
   62    HB2  ASP   8           HB2      ASP   8  -0.711 -12.446   1.739
   63    HB3  ASP   8           HB1      ASP   8   0.872 -12.783   1.036
   64    H    ASP   9           HN       ASP   9  -1.434  -9.923   0.885
   65    HA   ASP   9           HA       ASP   9  -0.635  -9.714  -1.825
   66    HB2  ASP   9           HB2      ASP   9  -2.924  -8.371  -0.379
   67    HB3  ASP   9           HB1      ASP   9  -2.694  -8.341  -2.122
   68    H    LEU  10           HN       LEU  10  -0.989  -7.438   0.780
   69    HA   LEU  10           HA       LEU  10  -0.323  -5.053  -0.506
   70    HB2  LEU  10           HB2      LEU  10  -1.269  -5.262   1.773
   71    HB3  LEU  10           HB1      LEU  10   0.268  -5.879   2.346
   72    HG   LEU  10           HG       LEU  10   1.288  -3.678   1.720
   73   HD11  LEU  10          HD11      LEU  10  -0.337  -2.966   0.077
   74   HD12  LEU  10          HD12      LEU  10  -0.200  -1.779   1.385
   75   HD13  LEU  10          HD13      LEU  10  -1.578  -2.878   1.333
   76   HD21  LEU  10          HD21      LEU  10   0.692  -4.182   4.010
   77   HD22  LEU  10          HD22      LEU  10  -0.962  -3.634   3.719
   78   HD23  LEU  10          HD23      LEU  10   0.372  -2.483   3.654
   79    H    ARG  11           HN       ARG  11   1.716  -7.411   1.150
   80    HA   ARG  11           HA       ARG  11   4.196  -6.135   0.885
   81    HB2  ARG  11           HB2      ARG  11   3.747  -8.013   2.401
   82    HB3  ARG  11           HB1      ARG  11   3.584  -9.088   1.020
   83    HG2  ARG  11           HG2      ARG  11   5.924  -8.737   0.454
   84    HG3  ARG  11           HG1      ARG  11   6.106  -7.634   1.829
   85    HD2  ARG  11           HD2      ARG  11   6.940  -9.814   2.428
   86    HD3  ARG  11           HD1      ARG  11   5.462  -9.481   3.332
   87    HE   ARG  11           HE       ARG  11   5.625 -11.224   0.964
   88   HH11  ARG  11          HH11      ARG  11   4.229 -10.492   4.153
   89   HH12  ARG  11          HH12      ARG  11   3.229 -11.864   4.211
   90   HH21  ARG  11          HH21      ARG  11   4.249 -13.156   1.047
   91   HH22  ARG  11          HH22      ARG  11   3.218 -13.370   2.397
   92    H    ARG  12           HN       ARG  12   2.494  -8.384  -1.235
   93    HA   ARG  12           HA       ARG  12   4.666  -8.778  -2.979
   94    HB2  ARG  12           HB2      ARG  12   1.718  -9.282  -3.408
   95    HB3  ARG  12           HB1      ARG  12   2.977  -9.715  -4.559
   96    HG2  ARG  12           HG2      ARG  12   4.020 -11.151  -2.887
   97    HG3  ARG  12           HG1      ARG  12   2.750 -10.756  -1.745
   98    HD2  ARG  12           HD2      ARG  12   2.328 -12.088  -4.420
   99    HD3  ARG  12           HD1      ARG  12   2.450 -12.942  -2.894
  100    HE   ARG  12           HE       ARG  12   0.360 -11.157  -2.578
  101   HH11  ARG  12          HH11      ARG  12   1.151 -13.607  -4.982
  102   HH12  ARG  12          HH12      ARG  12  -0.412 -14.223  -5.189
  103   HH21  ARG  12          HH21      ARG  12  -2.004 -11.938  -2.888
  104   HH22  ARG  12          HH22      ARG  12  -2.222 -13.222  -3.936
  105    H    ALA  13           HN       ALA  13   1.808  -6.702  -3.186
  106    HA   ALA  13           HA       ALA  13   2.365  -5.634  -5.733
  107    HB1  ALA  13           HB1      ALA  13   0.739  -3.922  -5.177
  108    HB2  ALA  13           HB2      ALA  13   0.808  -4.380  -3.466
  109    HB3  ALA  13           HB3      ALA  13   0.173  -5.512  -4.662
  110    H    LEU  14           HN       LEU  14   3.393  -4.679  -2.519
  111    HA   LEU  14           HA       LEU  14   4.418  -2.137  -3.047
  112    HB2  LEU  14           HB2      LEU  14   4.084  -3.248  -0.809
  113    HB3  LEU  14           HB1      LEU  14   5.540  -4.169  -1.110
  114    HG   LEU  14           HG       LEU  14   6.770  -1.950  -1.235
  115   HD11  LEU  14          HD11      LEU  14   5.703  -0.016  -0.168
  116   HD12  LEU  14          HD12      LEU  14   4.203  -0.925  -0.043
  117   HD13  LEU  14          HD13      LEU  14   4.848  -0.510  -1.632
  118   HD21  LEU  14          HD21      LEU  14   6.912  -3.422   0.687
  119   HD22  LEU  14          HD22      LEU  14   5.436  -2.734   1.348
  120   HD23  LEU  14          HD23      LEU  14   6.884  -1.743   1.211
  121    H    VAL  15           HN       VAL  15   5.914  -5.327  -3.218
  122    HA   VAL  15           HA       VAL  15   8.524  -4.454  -3.941
  123    HB   VAL  15           HB       VAL  15   7.244  -7.173  -4.415
  124   HG11  VAL  15          HG11      VAL  15  10.163  -6.417  -4.328
  125   HG12  VAL  15          HG12      VAL  15   9.261  -6.906  -5.767
  126   HG13  VAL  15          HG13      VAL  15   9.527  -8.046  -4.468
  127   HG21  VAL  15          HG21      VAL  15   8.383  -7.868  -2.360
  128   HG22  VAL  15          HG22      VAL  15   7.182  -6.603  -2.066
  129   HG23  VAL  15          HG23      VAL  15   8.889  -6.196  -2.095
  130    H    GLU  16           HN       GLU  16   5.663  -5.415  -5.802
  131    HA   GLU  16           HA       GLU  16   6.864  -5.606  -8.333
  132    HB2  GLU  16           HB2      GLU  16   4.030  -4.735  -7.701
  133    HB3  GLU  16           HB1      GLU  16   4.624  -5.226  -9.281
  134    HG2  GLU  16           HG2      GLU  16   5.060  -7.496  -8.360
  135    HG3  GLU  16           HG1      GLU  16   4.325  -6.992  -6.841
  136    H    SER  17           HN       SER  17   5.614  -2.808  -6.556
  137    HA   SER  17           HA       SER  17   5.782  -0.918  -8.643
  138    HB2  SER  17           HB2      SER  17   6.081  -0.418  -5.679
  139    HB3  SER  17           HB1      SER  17   5.614   0.742  -6.909
  140    HG   SER  17           HG       SER  17   3.971  -1.177  -7.269
  141    H    ALA  18           HN       ALA  18   8.148  -2.049  -6.290
  142    HA   ALA  18           HA       ALA  18  10.092  -0.034  -6.930
  143    HB1  ALA  18           HB1      ALA  18  10.441  -2.631  -5.416
  144    HB2  ALA  18           HB2      ALA  18  10.031  -1.067  -4.710
  145    HB3  ALA  18           HB3      ALA  18  11.598  -1.306  -5.472
  146    H    GLY  19           HN       GLY  19   9.905  -3.550  -7.475
  147    HA2  GLY  19           HA2      GLY  19  10.678  -4.869  -9.167
  148    HA3  GLY  19           HA1      GLY  19  10.776  -3.418 -10.149
  149    H    GLU  20           HN       GLU  20  12.641  -3.249  -7.296
  150    HA   GLU  20           HA       GLU  20  14.951  -3.478  -8.978
  151    HB2  GLU  20           HB2      GLU  20  14.747  -2.374  -6.192
  152    HB3  GLU  20           HB1      GLU  20  16.276  -2.554  -7.062
  153    HG2  GLU  20           HG2      GLU  20  15.213  -1.207  -8.906
  154    HG3  GLU  20           HG1      GLU  20  13.955  -0.823  -7.743
  155    H    THR  21           HN       THR  21  16.768  -4.636  -8.606
  156    HA   THR  21           HA       THR  21  16.238  -7.313  -8.037
  157    HB   THR  21           HB       THR  21  18.755  -7.383  -8.491
  158    HG1  THR  21           HG1      THR  21  19.376  -5.336  -8.060
  159   HG21  THR  21          HG21      THR  21  16.890  -6.143 -10.528
  160   HG22  THR  21          HG22      THR  21  17.016  -7.861 -10.195
  161   HG23  THR  21          HG23      THR  21  18.387  -6.995 -10.898
  162    H    ASP  22           HN       ASP  22  15.686  -7.374  -5.816
  163    HA   ASP  22           HA       ASP  22  16.130  -8.079  -3.684
  164    HB2  ASP  22           HB2      ASP  22  19.069  -8.212  -4.508
  165    HB3  ASP  22           HB1      ASP  22  18.274  -9.111  -3.214
  166    H    GLY  23           HN       GLY  23  16.191  -5.303  -4.445
  167    HA2  GLY  23           HA2      GLY  23  18.194  -3.763  -3.220
  168    HA3  GLY  23           HA1      GLY  23  16.584  -3.189  -3.589
  169    H    THR  24           HN       THR  24  15.243  -5.112  -1.878
  170    HA   THR  24           HA       THR  24  16.220  -4.834   0.725
  171    HB   THR  24           HB       THR  24  15.304  -2.500   0.426
  172    HG1  THR  24           HG1      THR  24  14.877  -2.717   2.451
  173   HG21  THR  24          HG21      THR  24  12.644  -3.906  -0.022
  174   HG22  THR  24          HG22      THR  24  13.547  -2.990  -1.227
  175   HG23  THR  24          HG23      THR  24  12.869  -2.163   0.168
  176    H    ASP  25           HN       ASP  25  14.031  -5.452   2.155
  177    HA   ASP  25           HA       ASP  25  12.416  -7.364   0.762
  178    HB2  ASP  25           HB2      ASP  25  13.085  -9.349   1.942
  179    HB3  ASP  25           HB1      ASP  25  14.547  -8.652   1.248
  180    H    LEU  26           HN       LEU  26  10.677  -7.953   1.898
  181    HA   LEU  26           HA       LEU  26  10.253  -6.521   4.431
  182    HB2  LEU  26           HB2      LEU  26   8.218  -7.158   2.273
  183    HB3  LEU  26           HB1      LEU  26   7.824  -6.385   3.788
  184    HG   LEU  26           HG       LEU  26   7.731  -4.729   2.226
  185   HD11  LEU  26          HD11      LEU  26   9.589  -3.228   2.633
  186   HD12  LEU  26          HD12      LEU  26  10.473  -4.583   3.353
  187   HD13  LEU  26          HD13      LEU  26   8.967  -4.017   4.091
  188   HD21  LEU  26          HD21      LEU  26   8.663  -5.913   0.348
  189   HD22  LEU  26          HD22      LEU  26  10.285  -5.736   1.015
  190   HD23  LEU  26          HD23      LEU  26   9.393  -4.308   0.467
  191    H    SER  27           HN       SER  27  11.352  -8.858   4.715
  192    HA   SER  27           HA       SER  27   9.587 -11.087   4.662
  193    HB2  SER  27           HB2      SER  27  11.439 -12.157   6.046
  194    HB3  SER  27           HB1      SER  27  11.926 -11.517   4.479
  195    HG   SER  27           HG       SER  27  13.038  -9.946   5.413
  196    H    GLY  28           HN       GLY  28  10.574  -8.859   7.186
  197    HA2  GLY  28           HA2      GLY  28   8.926 -10.234   9.153
  198    HA3  GLY  28           HA1      GLY  28  10.030  -8.892   9.447
  199    H    ASP  29           HN       ASP  29   8.486  -7.731  10.623
  200    HA   ASP  29           HA       ASP  29   6.006  -7.099   9.379
  201    HB2  ASP  29           HB2      ASP  29   5.537  -5.884  11.509
  202    HB3  ASP  29           HB1      ASP  29   5.936  -7.582  11.732
  203    H    PHE  30           HN       PHE  30   6.293  -5.813   7.695
  204    HA   PHE  30           HA       PHE  30   7.838  -3.392   7.973
  205    HB2  PHE  30           HB2      PHE  30   7.483  -3.057   5.626
  206    HB3  PHE  30           HB1      PHE  30   7.969  -4.725   5.890
  207    HD1  PHE  30           HD1      PHE  30   6.129  -6.503   5.926
  208    HD2  PHE  30           HD2      PHE  30   5.475  -2.584   4.385
  209    HE1  PHE  30           HE1      PHE  30   4.167  -7.315   4.695
  210    HE2  PHE  30           HE2      PHE  30   3.522  -3.396   3.157
  211    HZ   PHE  30           HZ       PHE  30   2.845  -5.667   3.276
  212    H    LEU  31           HN       LEU  31   5.092  -4.131   9.183
  213    HA   LEU  31           HA       LEU  31   3.313  -2.234   7.970
  214    HB2  LEU  31           HB2      LEU  31   2.949  -3.860  10.487
  215    HB3  LEU  31           HB1      LEU  31   1.727  -2.813   9.789
  216    HG   LEU  31           HG       LEU  31   2.912  -5.236   8.451
  217   HD11  LEU  31          HD11      LEU  31   0.706  -6.211   8.740
  218   HD12  LEU  31          HD12      LEU  31   0.196  -4.778   9.645
  219   HD13  LEU  31          HD13      LEU  31   1.450  -5.828  10.298
  220   HD21  LEU  31          HD21      LEU  31   0.707  -3.372   7.551
  221   HD22  LEU  31          HD22      LEU  31   1.146  -4.880   6.771
  222   HD23  LEU  31          HD23      LEU  31   2.294  -3.550   6.800
  223    H    ASP  32           HN       ASP  32   5.370  -2.180  10.825
  224    HA   ASP  32           HA       ASP  32   4.450   0.570  11.261
  225    HB2  ASP  32           HB2      ASP  32   4.510  -0.979  13.260
  226    HB3  ASP  32           HB1      ASP  32   6.250  -1.102  13.042
  227    H    LEU  33           HN       LEU  33   6.554  -1.079   9.504
  228    HA   LEU  33           HA       LEU  33   8.897   0.490   9.797
  229    HB2  LEU  33           HB2      LEU  33   7.937  -1.490   7.796
  230    HB3  LEU  33           HB1      LEU  33   9.281  -0.513   7.328
  231    HG   LEU  33           HG       LEU  33   9.161  -2.479   9.618
  232   HD11  LEU  33          HD11      LEU  33  10.763  -2.271   7.094
  233   HD12  LEU  33          HD12      LEU  33   9.426  -3.400   7.377
  234   HD13  LEU  33          HD13      LEU  33  10.935  -3.551   8.299
  235   HD21  LEU  33          HD21      LEU  33  10.516  -0.572  10.325
  236   HD22  LEU  33          HD22      LEU  33  11.382  -0.636   8.784
  237   HD23  LEU  33          HD23      LEU  33  11.541  -1.959   9.933
  238    H    ARG  34           HN       ARG  34   9.145   2.301   9.300
  239    HA   ARG  34           HA       ARG  34   7.138   3.950   8.112
  240    HB2  ARG  34           HB2      ARG  34   9.985   4.585   8.926
  241    HB3  ARG  34           HB1      ARG  34   8.790   5.786   8.460
  242    HG2  ARG  34           HG2      ARG  34   7.391   5.228  10.339
  243    HG3  ARG  34           HG1      ARG  34   8.447   3.894  10.787
  244    HD2  ARG  34           HD2      ARG  34  10.243   5.456  11.279
  245    HD3  ARG  34           HD1      ARG  34   9.230   6.792  10.742
  246    HE   ARG  34           HE       ARG  34   7.818   5.468  12.688
  247   HH11  ARG  34          HH11      ARG  34  11.045   6.915  12.668
  248   HH12  ARG  34          HH12      ARG  34  10.885   7.740  14.133
  249   HH21  ARG  34          HH21      ARG  34   7.609   6.550  14.785
  250   HH22  ARG  34          HH22      ARG  34   8.900   7.472  15.409
  251    H    PHE  35           HN       PHE  35   7.034   4.874   6.108
  252    HA   PHE  35           HA       PHE  35   8.030   3.433   3.992
  253    HB2  PHE  35           HB2      PHE  35   6.918   6.241   3.989
  254    HB3  PHE  35           HB1      PHE  35   7.275   5.343   2.522
  255    HD1  PHE  35           HD2      PHE  35   6.187   2.840   2.508
  256    HD2  PHE  35           HD1      PHE  35   4.732   6.212   4.722
  257    HE1  PHE  35           HE2      PHE  35   3.982   1.826   2.615
  258    HE2  PHE  35           HE1      PHE  35   2.525   5.179   4.810
  259    HZ   PHE  35           HZ       PHE  35   2.137   2.983   3.687
  260    H    GLU  36           HN       GLU  36   9.434   6.444   5.251
  261    HA   GLU  36           HA       GLU  36  11.398   6.672   3.263
  262    HB2  GLU  36           HB2      GLU  36  10.857   8.556   4.777
  263    HB3  GLU  36           HB1      GLU  36  11.495   7.646   6.134
  264    HG2  GLU  36           HG2      GLU  36  13.723   7.653   5.093
  265    HG3  GLU  36           HG1      GLU  36  13.096   8.605   3.760
  266    H    ASP  37           HN       ASP  37  11.230   4.621   6.062
  267    HA   ASP  37           HA       ASP  37  14.042   4.128   6.311
  268    HB2  ASP  37           HB2      ASP  37  12.358   3.841   8.176
  269    HB3  ASP  37           HB1      ASP  37  11.764   2.415   7.356
  270    H    ILE  38           HN       ILE  38  11.341   2.671   4.647
  271    HA   ILE  38           HA       ILE  38  13.022   0.506   3.726
  272    HB   ILE  38           HB       ILE  38  10.961  -0.444   2.647
  273   HG12  ILE  38          HG12      ILE  38   9.545   1.828   4.095
  274   HG13  ILE  38          HG11      ILE  38   9.740   1.688   2.351
  275   HG21  ILE  38          HG21      ILE  38  11.672  -1.179   4.828
  276   HG22  ILE  38          HG22      ILE  38   9.913  -1.152   4.744
  277   HG23  ILE  38          HG23      ILE  38  10.765   0.118   5.617
  278   HD11  ILE  38          HD11      ILE  38   7.513   1.073   3.040
  279   HD12  ILE  38          HD12      ILE  38   8.160  -0.183   4.099
  280   HD13  ILE  38          HD13      ILE  38   8.365  -0.307   2.350
  281    H    GLY  39           HN       GLY  39  12.937   3.466   2.797
  282    HA2  GLY  39           HA2      GLY  39  13.844   4.446   0.906
  283    HA3  GLY  39           HA1      GLY  39  13.981   2.856   0.179
  284    H    TYR  40           HN       TYR  40  10.926   4.220   1.308
  285    HA   TYR  40           HA       TYR  40  10.142   4.562  -1.506
  286    HB2  TYR  40           HB2      TYR  40   8.542   3.637   0.880
  287    HB3  TYR  40           HB1      TYR  40   7.754   4.252  -0.568
  288    HD1  TYR  40           HD2      TYR  40  10.269   1.669   0.501
  289    HD2  TYR  40           HD1      TYR  40   7.141   2.686  -2.203
  290    HE1  TYR  40           HE2      TYR  40  10.392  -0.584  -0.496
  291    HE2  TYR  40           HE1      TYR  40   7.274   0.446  -3.205
  292    HH   TYR  40           HH       TYR  40   9.271  -2.072  -1.832
  293    H    ASP  41           HN       ASP  41  10.058   6.673  -2.004
  294    HA   ASP  41           HA       ASP  41   9.662   8.728  -0.002
  295    HB2  ASP  41           HB2      ASP  41   9.643   8.891  -3.034
  296    HB3  ASP  41           HB1      ASP  41   9.424  10.286  -2.007
  297    H    SER  42           HN       SER  42   7.932   8.502  -2.956
  298    HA   SER  42           HA       SER  42   5.341   8.250  -1.741
  299    HB2  SER  42           HB2      SER  42   4.658  10.466  -2.799
  300    HB3  SER  42           HB1      SER  42   5.791  10.639  -1.448
  301    H    LEU  43           HN       LEU  43   7.208   9.277  -4.503
  302    HA   LEU  43           HA       LEU  43   5.675   8.678  -6.683
  303    HB2  LEU  43           HB2      LEU  43   7.913   9.665  -6.739
  304    HB3  LEU  43           HB1      LEU  43   8.622   8.116  -6.348
  305    HG   LEU  43           HG       LEU  43   7.740   7.232  -8.495
  306   HD11  LEU  43          HD11      LEU  43   7.134  10.139  -9.051
  307   HD12  LEU  43          HD12      LEU  43   5.955   8.833  -8.874
  308   HD13  LEU  43          HD13      LEU  43   7.080   8.821 -10.230
  309   HD21  LEU  43          HD21      LEU  43   9.632   9.568  -8.630
  310   HD22  LEU  43          HD22      LEU  43   9.473   8.312  -9.862
  311   HD23  LEU  43          HD23      LEU  43  10.049   7.898  -8.250
  312    H    ALA  44           HN       ALA  44   7.953   6.403  -5.151
  313    HA   ALA  44           HA       ALA  44   7.132   4.159  -6.657
  314    HB1  ALA  44           HB1      ALA  44   9.348   4.307  -5.625
  315    HB2  ALA  44           HB2      ALA  44   8.506   2.855  -5.123
  316    HB3  ALA  44           HB3      ALA  44   8.600   4.229  -4.026
  317    H    LEU  45           HN       LEU  45   5.814   5.718  -3.940
  318    HA   LEU  45           HA       LEU  45   4.576   3.380  -2.789
  319    HB2  LEU  45           HB2      LEU  45   5.512   5.436  -1.522
  320    HB3  LEU  45           HB1      LEU  45   4.078   6.257  -2.058
  321    HG   LEU  45           HG       LEU  45   4.139   3.813  -0.280
  322   HD11  LEU  45          HD11      LEU  45   3.561   5.357   1.489
  323   HD12  LEU  45          HD12      LEU  45   3.730   6.712   0.368
  324   HD13  LEU  45          HD13      LEU  45   5.138   5.720   0.793
  325   HD21  LEU  45          HD21      LEU  45   2.025   4.001  -1.485
  326   HD22  LEU  45          HD22      LEU  45   1.897   5.685  -0.975
  327   HD23  LEU  45          HD23      LEU  45   1.801   4.388   0.228
  328    H    MET  46           HN       MET  46   3.602   6.286  -4.697
  329    HA   MET  46           HA       MET  46   0.861   5.764  -4.724
  330    HB2  MET  46           HB2      MET  46   2.568   6.996  -6.862
  331    HB3  MET  46           HB1      MET  46   0.819   6.950  -6.907
  332    HG2  MET  46           HG2      MET  46   0.924   8.225  -4.678
  333    HG3  MET  46           HG1      MET  46   2.638   8.408  -5.062
  334    HE1  MET  46           HE1      MET  46  -0.146   8.271  -7.823
  335    HE2  MET  46           HE2      MET  46  -0.580   9.976  -7.962
  336    HE3  MET  46           HE3      MET  46  -0.998   9.073  -6.495
  337    H    GLU  47           HN       GLU  47   3.399   4.400  -6.752
  338    HA   GLU  47           HA       GLU  47   1.731   3.116  -8.584
  339    HB2  GLU  47           HB2      GLU  47   4.529   2.441  -7.665
  340    HB3  GLU  47           HB1      GLU  47   3.731   1.654  -9.019
  341    HG2  GLU  47           HG2      GLU  47   4.321   4.618  -8.849
  342    HG3  GLU  47           HG1      GLU  47   5.329   3.444  -9.671
  343    H    THR  48           HN       THR  48   2.796   2.184  -5.377
  344    HA   THR  48           HA       THR  48   1.910  -0.495  -5.441
  345    HB   THR  48           HB       THR  48   2.221   1.409  -3.112
  346    HG1  THR  48           HG1      THR  48   3.976   0.034  -4.743
  347   HG21  THR  48          HG21      THR  48   2.231  -1.629  -3.198
  348   HG22  THR  48          HG22      THR  48   0.957  -0.628  -2.516
  349   HG23  THR  48          HG23      THR  48   2.556  -0.632  -1.769
  350    H    ALA  49           HN       ALA  49   0.421   2.529  -4.278
  351    HA   ALA  49           HA       ALA  49  -2.019   1.409  -3.396
  352    HB1  ALA  49           HB1      ALA  49  -1.281   3.653  -2.744
  353    HB2  ALA  49           HB2      ALA  49  -2.897   3.686  -3.453
  354    HB3  ALA  49           HB3      ALA  49  -1.509   4.225  -4.403
  355    H    ALA  50           HN       ALA  50  -1.074   2.878  -6.480
  356    HA   ALA  50           HA       ALA  50  -3.559   2.674  -7.789
  357    HB1  ALA  50           HB1      ALA  50  -2.310   3.043  -9.846
  358    HB2  ALA  50           HB2      ALA  50  -0.797   2.690  -9.009
  359    HB3  ALA  50           HB3      ALA  50  -1.738   4.111  -8.568
  360    H    ARG  51           HN       ARG  51  -0.916   0.426  -7.409
  361    HA   ARG  51           HA       ARG  51  -1.611  -1.551  -9.294
  362    HB2  ARG  51           HB2      ARG  51   0.545  -1.373  -7.986
  363    HB3  ARG  51           HB1      ARG  51  -0.318  -1.922  -6.566
  364    HG2  ARG  51           HG2      ARG  51   0.957  -3.745  -7.457
  365    HG3  ARG  51           HG1      ARG  51  -0.751  -4.063  -7.773
  366    HD2  ARG  51           HD2      ARG  51  -0.534  -3.428 -10.049
  367    HD3  ARG  51           HD1      ARG  51   1.091  -2.788  -9.785
  368    HE   ARG  51           HE       ARG  51   1.200  -5.455  -9.097
  369   HH11  ARG  51          HH11      ARG  51   0.483  -3.612 -12.026
  370   HH12  ARG  51          HH12      ARG  51   1.038  -4.794 -13.119
  371   HH21  ARG  51          HH21      ARG  51   2.016  -7.079 -10.526
  372   HH22  ARG  51          HH22      ARG  51   1.944  -6.892 -12.212
  373    H    LEU  52           HN       LEU  52  -2.692  -0.892  -6.023
  374    HA   LEU  52           HA       LEU  52  -4.224  -3.311  -5.799
  375    HB2  LEU  52           HB2      LEU  52  -4.181  -0.851  -4.039
  376    HB3  LEU  52           HB1      LEU  52  -4.990  -2.365  -3.658
  377    HG   LEU  52           HG       LEU  52  -2.025  -2.029  -4.036
  378   HD11  LEU  52          HD11      LEU  52  -2.811  -0.928  -2.020
  379   HD12  LEU  52          HD12      LEU  52  -1.892  -2.368  -1.614
  380   HD13  LEU  52          HD13      LEU  52  -3.658  -2.391  -1.536
  381   HD21  LEU  52          HD21      LEU  52  -3.671  -4.395  -3.139
  382   HD22  LEU  52          HD22      LEU  52  -1.905  -4.323  -3.149
  383   HD23  LEU  52          HD23      LEU  52  -2.797  -4.241  -4.666
  384    H    GLU  53           HN       GLU  53  -4.975   0.174  -6.202
  385    HA   GLU  53           HA       GLU  53  -7.746  -0.057  -6.177
  386    HB2  GLU  53           HB2      GLU  53  -6.108   1.905  -7.773
  387    HB3  GLU  53           HB1      GLU  53  -7.818   2.020  -7.460
  388    HG2  GLU  53           HG2      GLU  53  -7.323   2.214  -5.041
  389    HG3  GLU  53           HG1      GLU  53  -5.597   2.225  -5.457
  390    H    SER  54           HN       SER  54  -5.518  -0.298  -8.931
  391    HA   SER  54           HA       SER  54  -7.545  -0.446 -10.871
  392    HB2  SER  54           HB2      SER  54  -5.670  -1.311 -12.362
  393    HB3  SER  54           HB1      SER  54  -5.424   0.272 -11.621
  394    HG   SER  54           HG       SER  54  -3.958  -0.586 -10.257
  395    H    ARG  55           HN       ARG  55  -6.106  -2.896  -8.886
  396    HA   ARG  55           HA       ARG  55  -7.023  -5.122 -10.486
  397    HB2  ARG  55           HB2      ARG  55  -5.031  -5.289  -8.999
  398    HB3  ARG  55           HB1      ARG  55  -6.085  -5.107  -7.609
  399    HG2  ARG  55           HG2      ARG  55  -7.300  -7.149  -8.283
  400    HG3  ARG  55           HG1      ARG  55  -6.158  -7.361  -9.603
  401    HD2  ARG  55           HD2      ARG  55  -4.328  -7.505  -7.934
  402    HD3  ARG  55           HD1      ARG  55  -5.533  -7.371  -6.654
  403    HE   ARG  55           HE       ARG  55  -6.056  -9.440  -8.558
  404   HH11  ARG  55          HH11      ARG  55  -4.714  -8.764  -5.346
  405   HH12  ARG  55          HH12      ARG  55  -4.464 -10.363  -4.876
  406   HH21  ARG  55          HH21      ARG  55  -5.747 -11.673  -8.004
  407   HH22  ARG  55          HH22      ARG  55  -5.107 -12.155  -6.506
  408    H    TYR  56           HN       TYR  56  -8.148  -3.501  -7.561
  409    HA   TYR  56           HA       TYR  56 -10.384  -5.379  -7.473
  410    HB2  TYR  56           HB2      TYR  56  -9.594  -3.303  -5.401
  411    HB3  TYR  56           HB1      TYR  56 -10.860  -4.527  -5.240
  412    HD1  TYR  56           HD1      TYR  56 -10.118  -7.004  -5.513
  413    HD2  TYR  56           HD2      TYR  56  -7.456  -3.813  -4.618
  414    HE1  TYR  56           HE1      TYR  56  -8.465  -8.625  -4.670
  415    HE2  TYR  56           HE2      TYR  56  -5.807  -5.418  -3.767
  416    HH   TYR  56           HH       TYR  56  -5.879  -7.785  -2.791
  417    H    GLY  57           HN       GLY  57  -9.778  -2.015  -8.104
  418    HA2  GLY  57           HA2      GLY  57 -11.203  -0.673  -9.359
  419    HA3  GLY  57           HA1      GLY  57 -12.538  -1.746  -8.989
  420    H    VAL  58           HN       VAL  58 -10.284  -0.223  -6.733
  421    HA   VAL  58           HA       VAL  58 -12.630   0.727  -5.316
  422    HB   VAL  58           HB       VAL  58 -11.455   0.841  -3.310
  423   HG11  VAL  58          HG11      VAL  58 -10.452  -1.343  -2.967
  424   HG12  VAL  58          HG12      VAL  58 -10.320  -1.514  -4.719
  425   HG13  VAL  58          HG13      VAL  58 -11.920  -1.435  -3.955
  426   HG21  VAL  58          HG21      VAL  58  -9.056   0.588  -2.987
  427   HG22  VAL  58          HG22      VAL  58  -9.426   2.001  -3.983
  428   HG23  VAL  58          HG23      VAL  58  -8.811   0.514  -4.742
  429    H    SER  59           HN       SER  59 -11.737   2.911  -3.855
  430    HA   SER  59           HA       SER  59 -10.686   4.769  -5.809
  431    HB2  SER  59           HB2      SER  59 -13.248   4.580  -6.053
  432    HB3  SER  59           HB1      SER  59 -13.348   5.270  -4.438
  433    HG   SER  59           HG       SER  59 -13.441   7.027  -5.591
  434    H    ILE  60           HN       ILE  60  -8.993   5.444  -4.573
  435    HA   ILE  60           HA       ILE  60  -9.276   5.877  -1.732
  436    HB   ILE  60           HB       ILE  60  -6.945   6.313  -3.626
  437   HG12  ILE  60          HG12      ILE  60  -7.516   3.983  -3.335
  438   HG13  ILE  60          HG11      ILE  60  -5.993   4.307  -2.542
  439   HG21  ILE  60          HG21      ILE  60  -5.505   6.559  -1.638
  440   HG22  ILE  60          HG22      ILE  60  -6.937   6.525  -0.615
  441   HG23  ILE  60          HG23      ILE  60  -6.703   7.855  -1.754
  442   HD11  ILE  60          HD11      ILE  60  -7.137   4.358  -0.355
  443   HD12  ILE  60          HD12      ILE  60  -7.376   2.824  -1.190
  444   HD13  ILE  60          HD13      ILE  60  -8.670   4.025  -1.162
  445    HA   PRO  61           HA       PRO  61 -10.393  10.235  -2.230
  446    HB2  PRO  61           HB2      PRO  61  -9.776  10.622   0.594
  447    HB3  PRO  61           HB1      PRO  61 -11.352  10.622  -0.201
  448    HG2  PRO  61           HG2      PRO  61 -10.522   8.677   1.515
  449    HG3  PRO  61           HG1      PRO  61 -11.685   8.385   0.214
  450    HD2  PRO  61           HD2      PRO  61  -8.774   7.770   0.360
  451    HD3  PRO  61           HD1      PRO  61 -10.096   6.807  -0.333
  452    H    ASP  62           HN       ASP  62  -9.364  12.288  -2.236
  453    HA   ASP  62           HA       ASP  62  -6.596  12.119  -2.775
  454    HB2  ASP  62           HB2      ASP  62  -6.718  14.490  -3.374
  455    HB3  ASP  62           HB1      ASP  62  -8.079  13.617  -4.046
  456    H    ASP  63           HN       ASP  63  -8.373  13.616  -0.058
  457    HA   ASP  63           HA       ASP  63  -5.910  14.612   1.037
  458    HB2  ASP  63           HB2      ASP  63  -7.245  15.472   2.873
  459    HB3  ASP  63           HB1      ASP  63  -8.017  15.883   1.333
  460    H    VAL  64           HN       VAL  64  -7.872  11.816   1.425
  461    HA   VAL  64           HA       VAL  64  -6.778  11.161   3.992
  462    HB   VAL  64           HB       VAL  64  -8.437   9.326   2.227
  463   HG11  VAL  64          HG11      VAL  64  -7.919   9.257   5.188
  464   HG12  VAL  64          HG12      VAL  64  -7.244   8.154   3.999
  465   HG13  VAL  64          HG13      VAL  64  -8.982   8.153   4.310
  466   HG21  VAL  64          HG21      VAL  64 -10.361  10.068   3.564
  467   HG22  VAL  64          HG22      VAL  64  -9.632  11.404   2.670
  468   HG23  VAL  64          HG23      VAL  64  -9.325  11.224   4.400
  469    H    ALA  65           HN       ALA  65  -5.700  10.713   0.828
  470    HA   ALA  65           HA       ALA  65  -4.196   8.314   1.216
  471    HB1  ALA  65           HB1      ALA  65  -4.852   9.134  -1.011
  472    HB2  ALA  65           HB2      ALA  65  -3.103   8.920  -0.858
  473    HB3  ALA  65           HB3      ALA  65  -3.803  10.536  -0.780
  474    H    GLY  66           HN       GLY  66  -3.709  11.552   2.186
  475    HA2  GLY  66           HA2      GLY  66  -0.845  11.057   2.628
  476    HA3  GLY  66           HA1      GLY  66  -1.599  12.650   2.593
  477    H    ARG  67           HN       ARG  67  -3.032   9.949   4.286
  478    HA   ARG  67           HA       ARG  67  -2.348  11.295   6.825
  479    HB2  ARG  67           HB2      ARG  67  -4.793   9.586   6.315
  480    HB3  ARG  67           HB1      ARG  67  -4.469  10.565   7.731
  481    HG2  ARG  67           HG2      ARG  67  -4.605  12.582   6.341
  482    HG3  ARG  67           HG1      ARG  67  -5.032  11.582   4.956
  483    HD2  ARG  67           HD2      ARG  67  -7.123  12.239   5.711
  484    HD3  ARG  67           HD1      ARG  67  -6.914  10.699   6.540
  485    HE   ARG  67           HE       ARG  67  -6.096  13.074   7.976
  486   HH11  ARG  67          HH11      ARG  67  -8.350  10.344   7.805
  487   HH12  ARG  67          HH12      ARG  67  -9.370  10.940   9.022
  488   HH21  ARG  67          HH21      ARG  67  -7.502  13.883   9.675
  489   HH22  ARG  67          HH22      ARG  67  -8.916  13.023  10.080
  490    H    VAL  68           HN       VAL  68  -1.104   9.038   5.202
  491    HA   VAL  68           HA       VAL  68  -1.107   7.003   7.315
  492    HB   VAL  68           HB       VAL  68  -0.356   5.373   5.574
  493   HG11  VAL  68          HG11      VAL  68  -2.990   6.706   5.037
  494   HG12  VAL  68          HG12      VAL  68  -2.667   5.462   6.252
  495   HG13  VAL  68          HG13      VAL  68  -2.547   5.069   4.535
  496   HG21  VAL  68          HG21      VAL  68  -0.660   5.895   3.189
  497   HG22  VAL  68          HG22      VAL  68   0.545   6.943   3.914
  498   HG23  VAL  68          HG23      VAL  68  -1.083   7.555   3.605
  499    H    ASP  69           HN       ASP  69   0.752   6.608   8.315
  500    HA   ASP  69           HA       ASP  69   3.188   7.865   7.222
  501    HB2  ASP  69           HB2      ASP  69   2.342   8.627   9.516
  502    HB3  ASP  69           HB1      ASP  69   2.700   6.998  10.087
  503    H    THR  70           HN       THR  70   1.605   4.968   8.157
  504    HA   THR  70           HA       THR  70   3.967   3.361   7.454
  505    HB   THR  70           HB       THR  70   3.173   1.722   9.177
  506    HG1  THR  70           HG1      THR  70   1.419   3.872   9.721
  507   HG21  THR  70          HG21      THR  70   3.998   4.441  10.222
  508   HG22  THR  70          HG22      THR  70   5.087   3.185   9.633
  509   HG23  THR  70          HG23      THR  70   4.152   2.913  11.104
  510    HA   PRO  71           HA       PRO  71   1.313   0.974   4.708
  511    HB2  PRO  71           HB2      PRO  71   2.498  -1.428   6.074
  512    HB3  PRO  71           HB1      PRO  71   2.374  -1.076   4.338
  513    HG2  PRO  71           HG2      PRO  71   4.667  -0.790   5.547
  514    HG3  PRO  71           HG1      PRO  71   4.125   0.483   4.436
  515    HD2  PRO  71           HD2      PRO  71   4.059   0.415   7.438
  516    HD3  PRO  71           HD1      PRO  71   4.564   1.732   6.351
  517    H    ARG  72           HN       ARG  72   1.377   0.309   8.095
  518    HA   ARG  72           HA       ARG  72  -0.719  -1.482   8.582
  519    HB2  ARG  72           HB2      ARG  72   0.818  -0.719  10.305
  520    HB3  ARG  72           HB1      ARG  72   0.281   0.935  10.110
  521    HG2  ARG  72           HG2      ARG  72  -1.948   0.254  10.982
  522    HG3  ARG  72           HG1      ARG  72  -1.268  -1.349  11.315
  523    HD2  ARG  72           HD2      ARG  72  -1.166  -0.018  13.348
  524    HD3  ARG  72           HD1      ARG  72   0.460  -0.272  12.735
  525    HE   ARG  72           HE       ARG  72  -1.034   2.212  12.282
  526   HH11  ARG  72          HH11      ARG  72   1.971   0.561  13.264
  527   HH12  ARG  72          HH12      ARG  72   2.927   1.943  13.420
  528   HH21  ARG  72          HH21      ARG  72   0.300   4.224  12.467
  529   HH22  ARG  72          HH22      ARG  72   1.917   4.127  12.961
  530    H    GLU  73           HN       GLU  73  -0.766   2.000   8.293
  531    HA   GLU  73           HA       GLU  73  -3.552   2.241   8.858
  532    HB2  GLU  73           HB2      GLU  73  -1.531   4.229   7.839
  533    HB3  GLU  73           HB1      GLU  73  -3.086   4.593   8.610
  534    HG2  GLU  73           HG2      GLU  73  -2.384   3.880  10.693
  535    HG3  GLU  73           HG1      GLU  73  -1.083   2.905  10.048
  536    H    LEU  74           HN       LEU  74  -1.511   2.077   6.077
  537    HA   LEU  74           HA       LEU  74  -3.309   3.060   4.095
  538    HB2  LEU  74           HB2      LEU  74  -0.711   2.722   4.067
  539    HB3  LEU  74           HB1      LEU  74  -1.088   1.065   3.676
  540    HG   LEU  74           HG       LEU  74  -1.747   3.504   1.992
  541   HD11  LEU  74          HD11      LEU  74   0.626   3.053   2.056
  542   HD12  LEU  74          HD12      LEU  74  -0.033   2.666   0.473
  543   HD13  LEU  74          HD13      LEU  74   0.316   1.373   1.627
  544   HD21  LEU  74          HD21      LEU  74  -2.349   1.924   0.211
  545   HD22  LEU  74          HD22      LEU  74  -3.370   1.707   1.652
  546   HD23  LEU  74          HD23      LEU  74  -2.045   0.583   1.325
  547    H    LEU  75           HN       LEU  75  -2.494  -0.172   5.320
  548    HA   LEU  75           HA       LEU  75  -3.993  -1.716   3.511
  549    HB2  LEU  75           HB2      LEU  75  -2.252  -2.614   5.032
  550    HB3  LEU  75           HB1      LEU  75  -3.342  -2.381   6.378
  551    HG   LEU  75           HG       LEU  75  -4.931  -4.025   5.285
  552   HD11  LEU  75          HD11      LEU  75  -4.153  -3.806   3.000
  553   HD12  LEU  75          HD12      LEU  75  -4.077  -5.477   3.551
  554   HD13  LEU  75          HD13      LEU  75  -2.605  -4.528   3.447
  555   HD21  LEU  75          HD21      LEU  75  -3.431  -4.696   7.099
  556   HD22  LEU  75          HD22      LEU  75  -2.162  -5.039   5.918
  557   HD23  LEU  75          HD23      LEU  75  -3.628  -5.991   5.919
  558    H    ASP  76           HN       ASP  76  -4.816  -0.683   6.824
  559    HA   ASP  76           HA       ASP  76  -7.378  -1.820   6.867
  560    HB2  ASP  76           HB2      ASP  76  -6.169  -1.124   8.902
  561    HB3  ASP  76           HB1      ASP  76  -6.427   0.566   8.468
  562    H    LEU  77           HN       LEU  77  -6.286   1.259   5.731
  563    HA   LEU  77           HA       LEU  77  -8.743   2.577   5.493
  564    HB2  LEU  77           HB2      LEU  77  -6.612   3.743   5.326
  565    HB3  LEU  77           HB1      LEU  77  -6.216   2.885   3.861
  566    HG   LEU  77           HG       LEU  77  -8.093   4.000   2.712
  567   HD11  LEU  77          HD11      LEU  77  -9.155   5.921   3.798
  568   HD12  LEU  77          HD12      LEU  77  -8.295   5.525   5.285
  569   HD13  LEU  77          HD13      LEU  77  -9.489   4.398   4.629
  570   HD21  LEU  77          HD21      LEU  77  -6.089   5.847   4.026
  571   HD22  LEU  77          HD22      LEU  77  -7.021   6.196   2.572
  572   HD23  LEU  77          HD23      LEU  77  -5.835   4.903   2.556
  573    H    ILE  78           HN       ILE  78  -7.020   0.452   3.257
  574    HA   ILE  78           HA       ILE  78  -8.975   0.831   1.194
  575    HB   ILE  78           HB       ILE  78  -6.724  -1.188   1.424
  576   HG12  ILE  78          HG12      ILE  78  -6.983   1.410  -0.120
  577   HG13  ILE  78          HG11      ILE  78  -5.918   1.086   1.242
  578   HG21  ILE  78          HG21      ILE  78  -8.474  -2.090  -0.025
  579   HG22  ILE  78          HG22      ILE  78  -7.068  -1.623  -0.968
  580   HG23  ILE  78          HG23      ILE  78  -8.500  -0.592  -0.970
  581   HD11  ILE  78          HD11      ILE  78  -4.724   1.113  -0.864
  582   HD12  ILE  78          HD12      ILE  78  -5.764  -0.142  -1.509
  583   HD13  ILE  78          HD13      ILE  78  -4.671  -0.504  -0.164
  584    H    ASN  79           HN       ASN  79  -8.202  -1.712   3.520
  585    HA   ASN  79           HA       ASN  79 -10.161  -3.567   2.754
  586    HB2  ASN  79           HB2      ASN  79  -9.106  -3.043   5.540
  587    HB3  ASN  79           HB1      ASN  79 -10.047  -4.429   5.068
  588   HD21  ASN  79          HD21      ASN  79  -8.549  -4.667   2.464
  589   HD22  ASN  79          HD22      ASN  79  -7.039  -5.367   2.947
  590    H    GLY  80           HN       GLY  80 -10.274  -0.854   5.007
  591    HA2  GLY  80           HA2      GLY  80 -12.909  -1.255   5.911
  592    HA3  GLY  80           HA1      GLY  80 -11.964   0.227   6.021
  593    H    ALA  81           HN       ALA  81 -11.628   0.592   3.122
  594    HA   ALA  81           HA       ALA  81 -14.095   1.907   2.651
  595    HB1  ALA  81           HB1      ALA  81 -13.167   2.471   0.456
  596    HB2  ALA  81           HB2      ALA  81 -11.805   1.363   0.742
  597    HB3  ALA  81           HB3      ALA  81 -12.019   2.799   1.743
  598    H    LEU  82           HN       LEU  82 -12.666  -1.081   1.529
  599    HA   LEU  82           HA       LEU  82 -14.612  -1.951  -0.279
  600    HB2  LEU  82           HB2      LEU  82 -12.917  -3.510   1.656
  601    HB3  LEU  82           HB1      LEU  82 -13.883  -4.244   0.397
  602    HG   LEU  82           HG       LEU  82 -11.696  -2.270  -0.195
  603   HD11  LEU  82          HD11      LEU  82 -10.753  -4.242   0.928
  604   HD12  LEU  82          HD12      LEU  82 -10.329  -4.220  -0.781
  605   HD13  LEU  82          HD13      LEU  82 -11.616  -5.287  -0.203
  606   HD21  LEU  82          HD21      LEU  82 -13.404  -2.538  -1.938
  607   HD22  LEU  82          HD22      LEU  82 -13.168  -4.285  -1.892
  608   HD23  LEU  82          HD23      LEU  82 -11.866  -3.238  -2.444
  609    H    ALA  83           HN       ALA  83 -14.608  -2.009   3.222
  610    HA   ALA  83           HA       ALA  83 -16.818  -3.779   3.540
  611    HB1  ALA  83           HB1      ALA  83 -16.720  -3.167   5.880
  612    HB2  ALA  83           HB2      ALA  83 -15.660  -1.817   5.498
  613    HB3  ALA  83           HB3      ALA  83 -15.097  -3.477   5.251
  614    H    GLU  84           HN       GLU  84 -16.577  -0.449   2.836
  615    HA   GLU  84           HA       GLU  84 -19.154   0.359   3.879
  616    HB2  GLU  84           HB2      GLU  84 -17.368   1.648   1.802
  617    HB3  GLU  84           HB1      GLU  84 -18.768   2.410   2.553
  618    HG2  GLU  84           HG2      GLU  84 -16.297   1.518   4.010
  619    HG3  GLU  84           HG1      GLU  84 -16.601   3.160   3.454
  620    H    ALA  85           HN       ALA  85 -18.041  -1.338   1.197
  621    HA   ALA  85           HA       ALA  85 -20.597  -1.014  -0.227
  622    HB1  ALA  85           HB1      ALA  85 -18.735  -0.022  -1.491
  623    HB2  ALA  85           HB2      ALA  85 -19.387  -1.448  -2.305
  624    HB3  ALA  85           HB3      ALA  85 -17.869  -1.562  -1.404
  625    H    ALA  86           HN       ALA  86 -19.770  -2.871   1.891
  626    HA   ALA  86           HA       ALA  86 -19.283  -5.449   0.794
  627    HB1  ALA  86           HB1      ALA  86 -18.755  -4.892   3.135
  628    HB2  ALA  86           HB2      ALA  86 -19.826  -6.303   2.992
  629    HB3  ALA  86           HB3      ALA  86 -20.487  -4.738   3.458
  630   H28A  SXR 101          H28A      SXR  42   5.585  11.532  -6.215
  631   H28B  SXR 101          H28B      SXR  42   4.271  10.654  -5.396
  632   H30A  SXR 101          H30A      SXR  42   2.587  12.086  -4.663
  633   H30B  SXR 101          H30B      SXR  42   1.586  12.312  -6.116
  634   H30C  SXR 101          H30C      SXR  42   2.334  13.702  -5.332
  635   H31A  SXR 101          H31A      SXR  42   4.832  13.850  -7.654
  636   H31B  SXR 101          H31B      SXR  42   5.038  14.057  -5.910
  637   H31C  SXR 101          H31C      SXR  42   3.559  14.607  -6.688
  638   H32A  SXR 101          H32A      SXR  42   2.969  10.798  -7.703
  639   H33A  SXR 101          H33A      SXR  42   4.186  11.450  -9.565
  640   H36A  SXR 101          H36A      SXR  42   3.662  13.690  -9.366
  641   H37A  SXR 101          H37A      SXR  42   1.940  14.377 -11.123
  642   H37B  SXR 101          H37B      SXR  42   0.813  14.431  -9.753
  643   H38A  SXR 101          H38A      SXR  42   3.280  16.155 -10.081
  644   H38B  SXR 101          H38B      SXR  42   1.630  16.683 -10.363
  645   H41A  SXR 101          H41A      SXR  42   0.983  14.864  -7.920
  646   H42A  SXR 101          H42A      SXR  42   1.244  14.864  -5.637
  647   H42B  SXR 101          H42B      SXR  42   1.988  16.452  -5.671
  648   H43A  SXR 101          H43A      SXR  42  -0.199  17.429  -6.150
  649   H43B  SXR 101          H43B      SXR  42  -0.396  16.356  -4.744
  650   H11A  SXR 101          H11A      SXR  42   0.954  11.463  -1.622
  651   H10A  SXR 101          H10A      SXR  42   2.518   9.962  -0.412
  652    H9A  SXR 101           H9A      SXR  42   1.941   7.578  -0.092
  653    H8A  SXR 101           H8A      SXR  42  -0.203   6.694  -0.984
  654    H7A  SXR 101           H7A      SXR  42  -1.738   8.185  -2.182
  655    H5A  SXR 101           H5A      SXR  42  -2.534  10.738  -2.701
  656    H5B  SXR 101           H5B      SXR  42  -1.507  11.453  -1.841
  657    H4A  SXR 101           H4A      SXR  42   0.055  12.104  -3.872
  658    H4B  SXR 101           H4B      SXR  42  -0.249  10.643  -4.111
  659    H2A  SXR 101           H2A      SXR  42  -0.753  12.871  -6.777
  660    H2B  SXR 101           H2B      SXR  42  -2.214  12.573  -6.711
  661    H1A  SXR 101           H1A      SXR  42  -2.428  14.647  -4.715
  662    H1B  SXR 101           H1B      SXR  42  -0.962  14.250  -4.797
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1 -16.796 -13.792  -2.957
    2    H2   MET   1           HT2      MET   1 -16.090 -12.939  -1.679
    3    H3   MET   1           HT3      MET   1 -15.370 -12.907  -3.214
    4    HA   MET   1           HA       MET   1 -17.175 -11.723  -4.141
    5    HB2  MET   1           HB2      MET   1 -18.945 -12.655  -2.671
    6    HB3  MET   1           HB1      MET   1 -18.298 -11.732  -1.331
    7    HG2  MET   1           HG2      MET   1 -18.778  -9.651  -2.547
    8    HG3  MET   1           HG1      MET   1 -19.486 -10.599  -3.853
    9    HE1  MET   1           HE1      MET   1 -21.646 -12.186  -3.491
   10    HE2  MET   1           HE2      MET   1 -22.543 -12.271  -1.974
   11    HE3  MET   1           HE3      MET   1 -20.911 -12.925  -2.066
   12    H    ALA   2           HN       ALA   2 -16.174 -11.101  -0.765
   13    HA   ALA   2           HA       ALA   2 -15.113  -8.532  -1.673
   14    HB1  ALA   2           HB1      ALA   2 -16.932  -8.290  -0.026
   15    HB2  ALA   2           HB2      ALA   2 -15.388  -7.758   0.639
   16    HB3  ALA   2           HB3      ALA   2 -16.049  -9.330   1.094
   17    H    THR   3           HN       THR   3 -13.074  -8.970  -2.110
   18    HA   THR   3           HA       THR   3 -11.542 -10.745  -0.407
   19    HB   THR   3           HB       THR   3 -10.757  -9.399  -3.006
   20    HG1  THR   3           HG1      THR   3 -11.943 -11.935  -2.479
   21   HG21  THR   3          HG21      THR   3  -9.772 -11.901  -1.610
   22   HG22  THR   3          HG22      THR   3  -8.915 -10.358  -1.674
   23   HG23  THR   3          HG23      THR   3  -9.180 -11.282  -3.155
   24    H    LEU   4           HN       LEU   4 -11.056  -9.499   1.401
   25    HA   LEU   4           HA       LEU   4  -9.957  -6.857   1.157
   26    HB2  LEU   4           HB2      LEU   4 -10.020  -8.801   3.492
   27    HB3  LEU   4           HB1      LEU   4  -9.431  -7.160   3.585
   28    HG   LEU   4           HG       LEU   4 -11.532  -7.212   4.612
   29   HD11  LEU   4          HD11      LEU   4 -12.895  -5.676   3.292
   30   HD12  LEU   4          HD12      LEU   4 -11.872  -5.999   1.898
   31   HD13  LEU   4          HD13      LEU   4 -11.190  -5.233   3.339
   32   HD21  LEU   4          HD21      LEU   4 -12.438  -9.280   3.705
   33   HD22  LEU   4          HD22      LEU   4 -12.700  -8.505   2.146
   34   HD23  LEU   4          HD23      LEU   4 -13.613  -7.970   3.562
   35    H    LEU   5           HN       LEU   5  -7.856  -6.519   0.615
   36    HA   LEU   5           HA       LEU   5  -6.152  -8.652  -0.002
   37    HB2  LEU   5           HB2      LEU   5  -4.417  -7.124  -0.479
   38    HB3  LEU   5           HB1      LEU   5  -5.890  -6.290  -0.894
   39    HG   LEU   5           HG       LEU   5  -4.328  -5.828   1.650
   40   HD11  LEU   5          HD11      LEU   5  -3.560  -3.771   0.594
   41   HD12  LEU   5          HD12      LEU   5  -4.363  -4.247  -0.908
   42   HD13  LEU   5          HD13      LEU   5  -3.018  -5.199  -0.286
   43   HD21  LEU   5          HD21      LEU   5  -5.645  -3.784   1.798
   44   HD22  LEU   5          HD22      LEU   5  -6.674  -5.222   1.818
   45   HD23  LEU   5          HD23      LEU   5  -6.529  -4.257   0.345
   46    H    THR   6           HN       THR   6  -4.471  -9.591   1.005
   47    HA   THR   6           HA       THR   6  -4.599  -9.445   3.879
   48    HB   THR   6           HB       THR   6  -3.081 -11.408   3.784
   49    HG1  THR   6           HG1      THR   6  -3.393 -11.185   0.941
   50   HG21  THR   6          HG21      THR   6  -5.474 -11.615   1.946
   51   HG22  THR   6          HG22      THR   6  -5.517 -11.749   3.704
   52   HG23  THR   6          HG23      THR   6  -4.669 -12.970   2.743
   53    H    THR   7           HN       THR   7  -2.139  -9.957   4.721
   54    HA   THR   7           HA       THR   7  -0.727  -7.535   4.237
   55    HB   THR   7           HB       THR   7   0.299  -9.933   5.776
   56    HG1  THR   7           HG1      THR   7  -0.834  -8.982   7.563
   57   HG21  THR   7          HG21      THR   7   1.315  -8.184   7.162
   58   HG22  THR   7          HG22      THR   7   0.568  -6.954   6.133
   59   HG23  THR   7          HG23      THR   7   1.804  -8.023   5.472
   60    H    ASP   8           HN       ASP   8  -0.815 -10.702   2.949
   61    HA   ASP   8           HA       ASP   8   1.821 -10.887   1.870
   62    HB2  ASP   8           HB2      ASP   8   0.209 -12.813   2.284
   63    HB3  ASP   8           HB1      ASP   8  -0.712 -12.240   0.905
   64    H    ASP   9           HN       ASP   9  -1.378 -10.135   0.606
   65    HA   ASP   9           HA       ASP   9  -0.717  -9.405  -2.020
   66    HB2  ASP   9           HB2      ASP   9  -2.895  -8.236  -0.272
   67    HB3  ASP   9           HB1      ASP   9  -2.774  -7.955  -1.992
   68    H    LEU  10           HN       LEU  10  -0.975  -7.421   0.885
   69    HA   LEU  10           HA       LEU  10  -0.393  -4.952  -0.268
   70    HB2  LEU  10           HB2      LEU  10  -1.324  -5.239   1.998
   71    HB3  LEU  10           HB1      LEU  10   0.224  -5.863   2.539
   72    HG   LEU  10           HG       LEU  10   1.250  -3.670   1.986
   73   HD11  LEU  10          HD11      LEU  10  -0.343  -2.883   0.341
   74   HD12  LEU  10          HD12      LEU  10  -0.222  -1.729   1.674
   75   HD13  LEU  10          HD13      LEU  10  -1.607  -2.810   1.567
   76   HD21  LEU  10          HD21      LEU  10  -1.027  -3.616   3.960
   77   HD22  LEU  10          HD22      LEU  10   0.333  -2.492   3.933
   78   HD23  LEU  10          HD23      LEU  10   0.606  -4.206   4.262
   79    H    ARG  11           HN       ARG  11   1.816  -7.252   1.363
   80    HA   ARG  11           HA       ARG  11   4.091  -5.635   1.007
   81    HB2  ARG  11           HB2      ARG  11   5.428  -7.511   1.717
   82    HB3  ARG  11           HB1      ARG  11   3.963  -7.489   2.680
   83    HG2  ARG  11           HG2      ARG  11   3.057  -9.267   1.188
   84    HG3  ARG  11           HG1      ARG  11   4.632  -9.336   0.405
   85    HD2  ARG  11           HD2      ARG  11   5.606  -9.783   2.688
   86    HD3  ARG  11           HD1      ARG  11   3.952  -9.948   3.267
   87    HE   ARG  11           HE       ARG  11   4.613 -11.579   0.978
   88   HH11  ARG  11          HH11      ARG  11   4.514 -11.535   4.515
   89   HH12  ARG  11          HH12      ARG  11   4.501 -13.230   4.658
   90   HH21  ARG  11          HH21      ARG  11   4.675 -13.781   1.172
   91   HH22  ARG  11          HH22      ARG  11   4.638 -14.578   2.688
   92    H    ARG  12           HN       ARG  12   2.688  -8.162  -0.994
   93    HA   ARG  12           HA       ARG  12   4.873  -8.254  -2.778
   94    HB2  ARG  12           HB2      ARG  12   2.034  -9.168  -3.108
   95    HB3  ARG  12           HB1      ARG  12   3.291  -9.430  -4.308
   96    HG2  ARG  12           HG2      ARG  12   4.604 -10.647  -2.571
   97    HG3  ARG  12           HG1      ARG  12   3.242 -10.451  -1.471
   98    HD2  ARG  12           HD2      ARG  12   3.151 -12.637  -2.423
   99    HD3  ARG  12           HD1      ARG  12   1.834 -11.678  -3.103
  100    HE   ARG  12           HE       ARG  12   4.052 -11.463  -4.777
  101   HH11  ARG  12          HH11      ARG  12   1.763 -13.952  -3.722
  102   HH12  ARG  12          HH12      ARG  12   1.794 -14.826  -5.183
  103   HH21  ARG  12          HH21      ARG  12   4.189 -12.716  -6.789
  104   HH22  ARG  12          HH22      ARG  12   3.255 -14.095  -6.985
  105    H    ALA  13           HN       ALA  13   1.798  -6.542  -2.893
  106    HA   ALA  13           HA       ALA  13   2.198  -5.404  -5.426
  107    HB1  ALA  13           HB1      ALA  13   0.616  -4.268  -3.117
  108    HB2  ALA  13           HB2      ALA  13   0.010  -5.417  -4.310
  109    HB3  ALA  13           HB3      ALA  13   0.464  -3.787  -4.806
  110    H    LEU  14           HN       LEU  14   3.286  -4.458  -2.259
  111    HA   LEU  14           HA       LEU  14   4.262  -1.889  -2.997
  112    HB2  LEU  14           HB2      LEU  14   3.660  -2.797  -0.668
  113    HB3  LEU  14           HB1      LEU  14   5.209  -3.608  -0.692
  114    HG   LEU  14           HG       LEU  14   6.328  -1.395  -0.820
  115   HD11  LEU  14          HD11      LEU  14   4.522  -0.145  -1.902
  116   HD12  LEU  14          HD12      LEU  14   5.026   0.629  -0.401
  117   HD13  LEU  14          HD13      LEU  14   3.536  -0.307  -0.451
  118   HD21  LEU  14          HD21      LEU  14   4.383  -1.715   1.461
  119   HD22  LEU  14          HD22      LEU  14   5.846  -0.728   1.477
  120   HD23  LEU  14          HD23      LEU  14   5.968  -2.483   1.334
  121    H    VAL  15           HN       VAL  15   5.633  -5.138  -2.777
  122    HA   VAL  15           HA       VAL  15   8.249  -4.367  -3.541
  123    HB   VAL  15           HB       VAL  15   6.994  -7.153  -3.439
  124   HG11  VAL  15          HG11      VAL  15   8.849  -7.173  -5.044
  125   HG12  VAL  15          HG12      VAL  15   9.266  -8.068  -3.579
  126   HG13  VAL  15          HG13      VAL  15   9.907  -6.445  -3.836
  127   HG21  VAL  15          HG21      VAL  15   7.245  -6.089  -1.277
  128   HG22  VAL  15          HG22      VAL  15   8.945  -5.770  -1.611
  129   HG23  VAL  15          HG23      VAL  15   8.379  -7.430  -1.442
  130    H    GLU  16           HN       GLU  16   5.408  -4.999  -5.367
  131    HA   GLU  16           HA       GLU  16   6.441  -5.587  -7.926
  132    HB2  GLU  16           HB2      GLU  16   4.149  -3.742  -7.194
  133    HB3  GLU  16           HB1      GLU  16   4.483  -4.301  -8.819
  134    HG2  GLU  16           HG2      GLU  16   3.812  -6.116  -6.522
  135    HG3  GLU  16           HG1      GLU  16   2.630  -5.461  -7.648
  136    H    SER  17           HN       SER  17   5.694  -2.471  -6.459
  137    HA   SER  17           HA       SER  17   6.666  -0.797  -8.433
  138    HB2  SER  17           HB2      SER  17   6.471  -0.248  -5.482
  139    HB3  SER  17           HB1      SER  17   6.342   0.914  -6.810
  140    HG   SER  17           HG       SER  17   4.366  -0.414  -5.698
  141    H    ALA  18           HN       ALA  18   8.284  -2.238  -5.635
  142    HA   ALA  18           HA       ALA  18  10.681  -0.633  -6.027
  143    HB1  ALA  18           HB1      ALA  18   9.895  -1.113  -3.746
  144    HB2  ALA  18           HB2      ALA  18  11.530  -1.713  -4.033
  145    HB3  ALA  18           HB3      ALA  18  10.166  -2.832  -4.035
  146    H    GLY  19           HN       GLY  19   9.477  -3.542  -7.214
  147    HA2  GLY  19           HA2      GLY  19  11.877  -5.075  -7.283
  148    HA3  GLY  19           HA1      GLY  19  10.394  -5.408  -8.170
  149    H    GLU  20           HN       GLU  20  10.789  -2.485  -9.083
  150    HA   GLU  20           HA       GLU  20  12.248  -3.204 -11.477
  151    HB2  GLU  20           HB2      GLU  20  10.802  -0.636 -10.785
  152    HB3  GLU  20           HB1      GLU  20  11.416  -1.098 -12.368
  153    HG2  GLU  20           HG2      GLU  20   9.193  -2.453 -10.844
  154    HG3  GLU  20           HG1      GLU  20   9.023  -1.431 -12.266
  155    H    THR  21           HN       THR  21  13.211  -2.325  -8.578
  156    HA   THR  21           HA       THR  21  15.690  -1.182  -9.519
  157    HB   THR  21           HB       THR  21  14.378   0.140  -7.106
  158    HG1  THR  21           HG1      THR  21  13.824   0.524  -9.831
  159   HG21  THR  21          HG21      THR  21  15.791   2.022  -7.720
  160   HG22  THR  21          HG22      THR  21  16.183   1.262  -9.256
  161   HG23  THR  21          HG23      THR  21  16.825   0.586  -7.778
  162    H    ASP  22           HN       ASP  22  16.274  -0.781  -6.473
  163    HA   ASP  22           HA       ASP  22  16.107  -3.593  -5.702
  164    HB2  ASP  22           HB2      ASP  22  18.421  -3.072  -6.366
  165    HB3  ASP  22           HB1      ASP  22  18.451  -1.713  -5.245
  166    H    GLY  23           HN       GLY  23  15.126  -3.872  -3.838
  167    HA2  GLY  23           HA2      GLY  23  14.853  -1.502  -2.125
  168    HA3  GLY  23           HA1      GLY  23  13.481  -2.536  -2.506
  169    H    THR  24           HN       THR  24  13.417  -2.542  -0.104
  170    HA   THR  24           HA       THR  24  15.356  -4.227   1.185
  171    HB   THR  24           HB       THR  24  13.752  -3.575   3.155
  172    HG1  THR  24           HG1      THR  24  13.108  -1.221   2.080
  173   HG21  THR  24          HG21      THR  24  14.970  -1.441   3.431
  174   HG22  THR  24          HG22      THR  24  15.477  -1.514   1.743
  175   HG23  THR  24          HG23      THR  24  16.053  -2.720   2.893
  176    H    ASP  25           HN       ASP  25  14.241  -5.858   2.829
  177    HA   ASP  25           HA       ASP  25  12.254  -7.289   1.260
  178    HB2  ASP  25           HB2      ASP  25  14.175  -8.688   1.725
  179    HB3  ASP  25           HB1      ASP  25  14.074  -8.333   3.449
  180    H    LEU  26           HN       LEU  26  10.498  -6.406   1.733
  181    HA   LEU  26           HA       LEU  26   9.780  -6.112   4.530
  182    HB2  LEU  26           HB2      LEU  26   8.006  -4.560   3.706
  183    HB3  LEU  26           HB1      LEU  26   9.646  -4.039   3.395
  184    HG   LEU  26           HG       LEU  26   9.217  -5.079   1.032
  185   HD11  LEU  26          HD11      LEU  26   6.927  -4.827   0.268
  186   HD12  LEU  26          HD12      LEU  26   6.411  -4.502   1.921
  187   HD13  LEU  26          HD13      LEU  26   7.078  -6.080   1.501
  188   HD21  LEU  26          HD21      LEU  26   9.711  -2.755   1.457
  189   HD22  LEU  26          HD22      LEU  26   8.032  -2.464   1.918
  190   HD23  LEU  26          HD23      LEU  26   8.428  -2.906   0.253
  191    H    SER  27           HN       SER  27   9.724  -8.534   2.754
  192    HA   SER  27           HA       SER  27   6.990  -9.260   2.673
  193    HB2  SER  27           HB2      SER  27   9.493 -10.957   2.512
  194    HB3  SER  27           HB1      SER  27   7.866 -11.534   2.173
  195    HG   SER  27           HG       SER  27   9.386  -9.618   0.728
  196    H    GLY  28           HN       GLY  28   9.393  -9.200   5.102
  197    HA2  GLY  28           HA2      GLY  28   7.943 -11.043   6.814
  198    HA3  GLY  28           HA1      GLY  28   9.456 -10.229   7.195
  199    H    ASP  29           HN       ASP  29   9.410  -8.498   8.403
  200    HA   ASP  29           HA       ASP  29   6.829  -7.533   9.374
  201    HB2  ASP  29           HB2      ASP  29   9.604  -6.749  10.316
  202    HB3  ASP  29           HB1      ASP  29   8.080  -6.426  11.122
  203    H    PHE  30           HN       PHE  30   5.992  -5.790   8.490
  204    HA   PHE  30           HA       PHE  30   7.750  -3.629   7.810
  205    HB2  PHE  30           HB2      PHE  30   6.947  -3.235   5.581
  206    HB3  PHE  30           HB1      PHE  30   7.669  -4.823   5.661
  207    HD1  PHE  30           HD1      PHE  30   5.776  -6.685   6.316
  208    HD2  PHE  30           HD2      PHE  30   5.065  -3.000   4.334
  209    HE1  PHE  30           HE1      PHE  30   3.732  -7.616   5.335
  210    HE2  PHE  30           HE2      PHE  30   3.022  -3.909   3.359
  211    HZ   PHE  30           HZ       PHE  30   2.287  -6.136   3.891
  212    H    LEU  31           HN       LEU  31   4.671  -4.720   8.822
  213    HA   LEU  31           HA       LEU  31   3.101  -2.512   8.039
  214    HB2  LEU  31           HB2      LEU  31   2.721  -4.420  10.331
  215    HB3  LEU  31           HB1      LEU  31   1.535  -3.225   9.846
  216    HG   LEU  31           HG       LEU  31   2.484  -5.566   8.194
  217   HD11  LEU  31          HD11      LEU  31  -0.153  -4.986   9.526
  218   HD12  LEU  31          HD12      LEU  31   1.037  -6.180  10.049
  219   HD13  LEU  31          HD13      LEU  31   0.211  -6.374   8.498
  220   HD21  LEU  31          HD21      LEU  31   1.970  -3.650   6.774
  221   HD22  LEU  31          HD22      LEU  31   0.422  -3.443   7.583
  222   HD23  LEU  31          HD23      LEU  31   0.727  -4.891   6.622
  223    H    ASP  32           HN       ASP  32   5.269  -2.920  10.712
  224    HA   ASP  32           HA       ASP  32   4.261  -0.506  12.016
  225    HB2  ASP  32           HB2      ASP  32   5.692  -1.216  13.902
  226    HB3  ASP  32           HB1      ASP  32   4.506  -2.433  13.444
  227    H    LEU  33           HN       LEU  33   6.176  -0.781   9.556
  228    HA   LEU  33           HA       LEU  33   8.150   1.039  10.680
  229    HB2  LEU  33           HB2      LEU  33   9.834   0.196   8.957
  230    HB3  LEU  33           HB1      LEU  33   9.253  -0.968  10.106
  231    HG   LEU  33           HG       LEU  33   7.819  -1.923   8.451
  232   HD11  LEU  33          HD11      LEU  33   9.192  -0.063   6.513
  233   HD12  LEU  33          HD12      LEU  33   7.489  -0.034   6.956
  234   HD13  LEU  33          HD13      LEU  33   8.146  -1.414   6.076
  235   HD21  LEU  33          HD21      LEU  33  10.726  -1.740   7.754
  236   HD22  LEU  33          HD22      LEU  33   9.626  -3.021   7.217
  237   HD23  LEU  33          HD23      LEU  33   9.980  -2.806   8.939
  238    H    ARG  34           HN       ARG  34   8.967   2.760   9.116
  239    HA   ARG  34           HA       ARG  34   6.592   3.818   7.831
  240    HB2  ARG  34           HB2      ARG  34   9.223   5.062   8.576
  241    HB3  ARG  34           HB1      ARG  34   8.009   5.906   7.622
  242    HG2  ARG  34           HG2      ARG  34   6.401   5.645   9.450
  243    HG3  ARG  34           HG1      ARG  34   7.646   4.835  10.406
  244    HD2  ARG  34           HD2      ARG  34   8.981   6.809  10.474
  245    HD3  ARG  34           HD1      ARG  34   7.945   7.615   9.293
  246    HE   ARG  34           HE       ARG  34   6.230   7.041  11.217
  247   HH11  ARG  34          HH11      ARG  34   9.325   8.767  11.248
  248   HH12  ARG  34          HH12      ARG  34   8.957   9.681  12.642
  249   HH21  ARG  34          HH21      ARG  34   5.747   8.273  13.132
  250   HH22  ARG  34          HH22      ARG  34   6.873   9.389  13.766
  251    H    PHE  35           HN       PHE  35   6.547   4.688   5.751
  252    HA   PHE  35           HA       PHE  35   7.720   3.115   3.721
  253    HB2  PHE  35           HB2      PHE  35   6.517   5.884   3.457
  254    HB3  PHE  35           HB1      PHE  35   6.841   4.765   2.143
  255    HD1  PHE  35           HD2      PHE  35   5.643   2.484   2.274
  256    HD2  PHE  35           HD1      PHE  35   4.479   5.931   4.465
  257    HE1  PHE  35           HE2      PHE  35   3.393   1.542   2.554
  258    HE2  PHE  35           HE1      PHE  35   2.230   5.005   4.746
  259    HZ   PHE  35           HZ       PHE  35   1.687   2.802   3.795
  260    H    GLU  36           HN       GLU  36   8.351   6.294   4.998
  261    HA   GLU  36           HA       GLU  36  10.390   7.254   3.380
  262    HB2  GLU  36           HB2      GLU  36   9.284   8.539   5.136
  263    HB3  GLU  36           HB1      GLU  36  10.021   7.523   6.360
  264    HG2  GLU  36           HG2      GLU  36  12.243   8.293   5.563
  265    HG3  GLU  36           HG1      GLU  36  11.403   9.429   4.503
  266    H    ASP  37           HN       ASP  37  10.478   5.167   6.165
  267    HA   ASP  37           HA       ASP  37  13.275   5.014   6.496
  268    HB2  ASP  37           HB2      ASP  37  11.783   4.594   8.360
  269    HB3  ASP  37           HB1      ASP  37  11.031   3.263   7.497
  270    H    ILE  38           HN       ILE  38  10.933   2.998   4.788
  271    HA   ILE  38           HA       ILE  38  13.056   1.167   4.084
  272    HB   ILE  38           HB       ILE  38  11.287  -0.123   2.808
  273   HG12  ILE  38          HG12      ILE  38   9.428   1.777   4.267
  274   HG13  ILE  38          HG11      ILE  38   9.691   1.748   2.527
  275   HG21  ILE  38          HG21      ILE  38  10.888   0.280   5.770
  276   HG22  ILE  38          HG22      ILE  38  12.066  -0.790   5.012
  277   HG23  ILE  38          HG23      ILE  38  10.343  -1.118   4.846
  278   HD11  ILE  38          HD11      ILE  38   7.602   0.675   3.129
  279   HD12  ILE  38          HD12      ILE  38   8.459  -0.449   4.179
  280   HD13  ILE  38          HD13      ILE  38   8.726  -0.494   2.434
  281    H    GLY  39           HN       GLY  39  12.716   3.980   2.966
  282    HA2  GLY  39           HA2      GLY  39  13.711   4.928   1.113
  283    HA3  GLY  39           HA1      GLY  39  13.994   3.317   0.493
  284    H    TYR  40           HN       TYR  40  10.763   4.442   1.296
  285    HA   TYR  40           HA       TYR  40  10.184   4.259  -1.544
  286    HB2  TYR  40           HB2      TYR  40   8.442   3.914   0.861
  287    HB3  TYR  40           HB1      TYR  40   7.740   4.360  -0.683
  288    HD1  TYR  40           HD2      TYR  40  10.139   1.889   0.703
  289    HD2  TYR  40           HD1      TYR  40   7.014   2.653  -2.062
  290    HE1  TYR  40           HE2      TYR  40  10.185  -0.458   0.017
  291    HE2  TYR  40           HE1      TYR  40   7.052   0.303  -2.763
  292    HH   TYR  40           HH       TYR  40   8.966  -2.096  -1.110
  293    H    ASP  41           HN       ASP  41   9.804   5.863  -2.723
  294    HA   ASP  41           HA       ASP  41   9.265   8.532  -1.644
  295    HB2  ASP  41           HB2      ASP  41   9.412   7.619  -4.538
  296    HB3  ASP  41           HB1      ASP  41   9.339   9.262  -3.978
  297    H    SER  42           HN       SER  42   7.470   9.657  -3.083
  298    HA   SER  42           HA       SER  42   5.076   8.220  -2.615
  299    HB2  SER  42           HB2      SER  42   4.238  10.281  -4.160
  300    HB3  SER  42           HB1      SER  42   4.471  10.354  -2.408
  301    H    LEU  43           HN       LEU  43   7.099   8.762  -5.303
  302    HA   LEU  43           HA       LEU  43   5.751   7.976  -7.529
  303    HB2  LEU  43           HB2      LEU  43   8.167   8.741  -7.204
  304    HB3  LEU  43           HB1      LEU  43   8.540   7.095  -6.768
  305    HG   LEU  43           HG       LEU  43   9.244   7.686  -9.036
  306   HD11  LEU  43          HD11      LEU  43   8.811   5.369  -8.593
  307   HD12  LEU  43          HD12      LEU  43   8.353   5.779 -10.243
  308   HD13  LEU  43          HD13      LEU  43   7.110   5.584  -9.006
  309   HD21  LEU  43          HD21      LEU  43   6.310   7.998  -9.610
  310   HD22  LEU  43          HD22      LEU  43   7.597   8.006 -10.817
  311   HD23  LEU  43          HD23      LEU  43   7.524   9.279  -9.597
  312    H    ALA  44           HN       ALA  44   7.672   5.774  -5.504
  313    HA   ALA  44           HA       ALA  44   6.568   3.425  -6.694
  314    HB1  ALA  44           HB1      ALA  44   7.898   2.197  -5.066
  315    HB2  ALA  44           HB2      ALA  44   8.198   3.682  -4.170
  316    HB3  ALA  44           HB3      ALA  44   8.849   3.486  -5.796
  317    H    LEU  45           HN       LEU  45   5.742   5.340  -3.928
  318    HA   LEU  45           HA       LEU  45   4.202   3.357  -2.607
  319    HB2  LEU  45           HB2      LEU  45   5.187   5.628  -1.735
  320    HB3  LEU  45           HB1      LEU  45   3.714   6.302  -2.391
  321    HG   LEU  45           HG       LEU  45   3.758   4.190  -0.226
  322   HD11  LEU  45          HD11      LEU  45   4.849   6.179   0.554
  323   HD12  LEU  45          HD12      LEU  45   3.270   6.011   1.313
  324   HD13  LEU  45          HD13      LEU  45   3.499   7.175  -0.004
  325   HD21  LEU  45          HD21      LEU  45   1.451   4.903   0.158
  326   HD22  LEU  45          HD22      LEU  45   1.662   4.308  -1.494
  327   HD23  LEU  45          HD23      LEU  45   1.577   6.044  -1.184
  328    H    MET  46           HN       MET  46   3.359   6.071  -4.850
  329    HA   MET  46           HA       MET  46   0.659   5.279  -4.757
  330    HB2  MET  46           HB2      MET  46   2.032   7.286  -6.532
  331    HB3  MET  46           HB1      MET  46   0.305   6.969  -6.576
  332    HG2  MET  46           HG2      MET  46   0.208   7.521  -4.142
  333    HG3  MET  46           HG1      MET  46   1.896   8.006  -4.248
  334    HE1  MET  46           HE1      MET  46  -1.564  10.139  -6.447
  335    HE2  MET  46           HE2      MET  46  -1.781   8.749  -5.384
  336    HE3  MET  46           HE3      MET  46  -0.954   8.552  -6.924
  337    H    GLU  47           HN       GLU  47   3.299   4.226  -6.772
  338    HA   GLU  47           HA       GLU  47   1.655   3.088  -8.787
  339    HB2  GLU  47           HB2      GLU  47   4.366   2.147  -7.789
  340    HB3  GLU  47           HB1      GLU  47   3.533   1.429  -9.157
  341    HG2  GLU  47           HG2      GLU  47   3.573   3.721 -10.205
  342    HG3  GLU  47           HG1      GLU  47   4.678   4.186  -8.915
  343    H    THR  48           HN       THR  48   2.736   1.972  -5.683
  344    HA   THR  48           HA       THR  48   1.611  -0.596  -5.696
  345    HB   THR  48           HB       THR  48   2.039   1.311  -3.378
  346    HG1  THR  48           HG1      THR  48   4.034   1.046  -4.206
  347   HG21  THR  48          HG21      THR  48   2.197  -0.743  -2.024
  348   HG22  THR  48          HG22      THR  48   1.839  -1.717  -3.448
  349   HG23  THR  48          HG23      THR  48   0.618  -0.620  -2.800
  350    H    ALA  49           HN       ALA  49   0.375   2.542  -4.611
  351    HA   ALA  49           HA       ALA  49  -2.148   1.742  -3.733
  352    HB1  ALA  49           HB1      ALA  49  -1.391   4.369  -5.010
  353    HB2  ALA  49           HB2      ALA  49  -1.227   3.961  -3.301
  354    HB3  ALA  49           HB3      ALA  49  -2.828   4.068  -4.032
  355    H    ALA  50           HN       ALA  50  -1.153   2.866  -6.969
  356    HA   ALA  50           HA       ALA  50  -3.672   2.659  -8.189
  357    HB1  ALA  50           HB1      ALA  50  -1.778   3.893  -9.169
  358    HB2  ALA  50           HB2      ALA  50  -2.460   2.730 -10.307
  359    HB3  ALA  50           HB3      ALA  50  -0.953   2.363  -9.468
  360    H    ARG  51           HN       ARG  51  -1.130   0.324  -7.675
  361    HA   ARG  51           HA       ARG  51  -1.943  -1.814  -9.308
  362    HB2  ARG  51           HB2      ARG  51   0.154  -1.375  -7.742
  363    HB3  ARG  51           HB1      ARG  51  -0.805  -2.251  -6.571
  364    HG2  ARG  51           HG2      ARG  51   0.740  -3.751  -7.601
  365    HG3  ARG  51           HG1      ARG  51  -0.890  -4.158  -8.161
  366    HD2  ARG  51           HD2      ARG  51  -0.539  -3.278 -10.265
  367    HD3  ARG  51           HD1      ARG  51   0.781  -2.250  -9.723
  368    HE   ARG  51           HE       ARG  51   1.288  -5.090  -9.596
  369   HH11  ARG  51          HH11      ARG  51   1.533  -2.112 -11.533
  370   HH12  ARG  51          HH12      ARG  51   2.851  -2.643 -12.457
  371   HH21  ARG  51          HH21      ARG  51   3.157  -5.800 -10.831
  372   HH22  ARG  51          HH22      ARG  51   3.768  -4.833 -12.107
  373    H    LEU  52           HN       LEU  52  -2.874  -0.776  -6.107
  374    HA   LEU  52           HA       LEU  52  -4.561  -3.039  -5.573
  375    HB2  LEU  52           HB2      LEU  52  -4.238  -0.435  -4.082
  376    HB3  LEU  52           HB1      LEU  52  -5.123  -1.827  -3.507
  377    HG   LEU  52           HG       LEU  52  -2.151  -1.718  -4.028
  378   HD11  LEU  52          HD11      LEU  52  -1.949  -1.901  -1.595
  379   HD12  LEU  52          HD12      LEU  52  -3.702  -1.763  -1.451
  380   HD13  LEU  52          HD13      LEU  52  -2.757  -0.419  -2.099
  381   HD21  LEU  52          HD21      LEU  52  -3.848  -3.925  -2.863
  382   HD22  LEU  52          HD22      LEU  52  -2.089  -3.933  -2.964
  383   HD23  LEU  52          HD23      LEU  52  -3.062  -3.948  -4.436
  384    H    GLU  53           HN       GLU  53  -5.040   0.399  -6.368
  385    HA   GLU  53           HA       GLU  53  -7.844   0.473  -6.178
  386    HB2  GLU  53           HB2      GLU  53  -6.059   2.034  -8.044
  387    HB3  GLU  53           HB1      GLU  53  -7.748   2.385  -7.726
  388    HG2  GLU  53           HG2      GLU  53  -7.204   2.889  -5.408
  389    HG3  GLU  53           HG1      GLU  53  -5.503   2.534  -5.731
  390    H    SER  54           HN       SER  54  -5.767  -0.437  -8.883
  391    HA   SER  54           HA       SER  54  -7.952  -0.672 -10.666
  392    HB2  SER  54           HB2      SER  54  -6.223  -1.941 -12.067
  393    HB3  SER  54           HB1      SER  54  -5.875  -0.253 -11.674
  394    HG   SER  54           HG       SER  54  -4.378  -0.831 -10.298
  395    H    ARG  55           HN       ARG  55  -6.076  -3.079  -8.848
  396    HA   ARG  55           HA       ARG  55  -7.433  -5.317  -9.880
  397    HB2  ARG  55           HB2      ARG  55  -5.239  -5.478  -8.773
  398    HB3  ARG  55           HB1      ARG  55  -5.992  -5.102  -7.228
  399    HG2  ARG  55           HG2      ARG  55  -7.352  -7.151  -7.426
  400    HG3  ARG  55           HG1      ARG  55  -6.533  -7.523  -8.939
  401    HD2  ARG  55           HD2      ARG  55  -4.396  -7.656  -7.742
  402    HD3  ARG  55           HD1      ARG  55  -5.227  -7.298  -6.227
  403    HE   ARG  55           HE       ARG  55  -6.194  -9.589  -7.735
  404   HH11  ARG  55          HH11      ARG  55  -4.143  -8.539  -5.048
  405   HH12  ARG  55          HH12      ARG  55  -4.170 -10.011  -4.224
  406   HH21  ARG  55          HH21      ARG  55  -6.244 -11.610  -6.682
  407   HH22  ARG  55          HH22      ARG  55  -5.454 -11.867  -5.200
  408    H    TYR  56           HN       TYR  56  -8.022  -3.420  -6.932
  409    HA   TYR  56           HA       TYR  56 -10.307  -5.133  -6.365
  410    HB2  TYR  56           HB2      TYR  56  -9.009  -2.991  -4.677
  411    HB3  TYR  56           HB1      TYR  56 -10.388  -3.967  -4.174
  412    HD1  TYR  56           HD1      TYR  56 -10.051  -6.525  -4.144
  413    HD2  TYR  56           HD2      TYR  56  -6.844  -3.740  -4.299
  414    HE1  TYR  56           HE1      TYR  56  -8.523  -8.242  -3.271
  415    HE2  TYR  56           HE2      TYR  56  -5.307  -5.447  -3.437
  416    HH   TYR  56           HH       TYR  56  -6.099  -8.730  -3.278
  417    H    GLY  57           HN       GLY  57  -9.793  -2.469  -8.146
  418    HA2  GLY  57           HA2      GLY  57 -11.208  -0.965  -9.140
  419    HA3  GLY  57           HA1      GLY  57 -12.535  -1.930  -8.520
  420    H    VAL  58           HN       VAL  58 -10.040   0.076  -6.970
  421    HA   VAL  58           HA       VAL  58 -12.261   1.356  -5.544
  422    HB   VAL  58           HB       VAL  58 -11.075   1.601  -3.559
  423   HG11  VAL  58          HG11      VAL  58 -10.509  -0.661  -2.880
  424   HG12  VAL  58          HG12      VAL  58 -10.345  -1.082  -4.578
  425   HG13  VAL  58          HG13      VAL  58 -11.942  -0.650  -3.936
  426   HG21  VAL  58          HG21      VAL  58  -8.760   0.958  -3.152
  427   HG22  VAL  58          HG22      VAL  58  -8.867   2.244  -4.357
  428   HG23  VAL  58          HG23      VAL  58  -8.551   0.575  -4.863
  429    H    SER  59           HN       SER  59 -11.211   3.475  -4.336
  430    HA   SER  59           HA       SER  59  -9.654   5.046  -6.228
  431    HB2  SER  59           HB2      SER  59 -12.343   5.926  -5.118
  432    HB3  SER  59           HB1      SER  59 -11.301   6.855  -6.192
  433    HG   SER  59           HG       SER  59 -11.586   5.091  -7.699
  434    H    ILE  60           HN       ILE  60  -8.028   5.670  -4.861
  435    HA   ILE  60           HA       ILE  60  -8.657   6.139  -2.053
  436    HB   ILE  60           HB       ILE  60  -5.977   6.094  -3.483
  437   HG12  ILE  60          HG12      ILE  60  -6.999   3.880  -3.322
  438   HG13  ILE  60          HG11      ILE  60  -5.621   3.992  -2.233
  439   HG21  ILE  60          HG21      ILE  60  -6.523   6.348  -0.528
  440   HG22  ILE  60          HG22      ILE  60  -5.898   7.616  -1.582
  441   HG23  ILE  60          HG23      ILE  60  -4.930   6.172  -1.275
  442   HD11  ILE  60          HD11      ILE  60  -7.147   4.342  -0.349
  443   HD12  ILE  60          HD12      ILE  60  -7.460   2.820  -1.177
  444   HD13  ILE  60          HD13      ILE  60  -8.525   4.202  -1.444
  445    HA   PRO  61           HA       PRO  61  -9.033  10.506  -2.949
  446    HB2  PRO  61           HB2      PRO  61  -9.682  10.766  -0.113
  447    HB3  PRO  61           HB1      PRO  61 -10.720  11.036  -1.517
  448    HG2  PRO  61           HG2      PRO  61 -11.096   8.958   0.169
  449    HG3  PRO  61           HG1      PRO  61 -11.452   8.853  -1.567
  450    HD2  PRO  61           HD2      PRO  61  -9.039   7.888  -0.069
  451    HD3  PRO  61           HD1      PRO  61  -9.985   7.055  -1.322
  452    H    ASP  62           HN       ASP  62  -7.617  12.074  -2.810
  453    HA   ASP  62           HA       ASP  62  -4.993  11.893  -1.999
  454    HB2  ASP  62           HB2      ASP  62  -6.520  14.506  -2.044
  455    HB3  ASP  62           HB1      ASP  62  -4.816  14.248  -2.382
  456    H    ASP  63           HN       ASP  63  -7.552  13.736  -0.388
  457    HA   ASP  63           HA       ASP  63  -6.029  14.569   1.806
  458    HB2  ASP  63           HB2      ASP  63  -8.998  14.342   1.426
  459    HB3  ASP  63           HB1      ASP  63  -8.309  14.889   2.947
  460    H    VAL  64           HN       VAL  64  -7.937  11.685   1.370
  461    HA   VAL  64           HA       VAL  64  -7.709  10.997   4.169
  462    HB   VAL  64           HB       VAL  64  -8.832   9.290   1.910
  463   HG11  VAL  64          HG11      VAL  64 -10.042   8.097   3.666
  464   HG12  VAL  64          HG12      VAL  64  -9.233   9.071   4.890
  465   HG13  VAL  64          HG13      VAL  64  -8.295   7.974   3.871
  466   HG21  VAL  64          HG21      VAL  64 -11.043  10.054   2.640
  467   HG22  VAL  64          HG22      VAL  64 -10.048  11.389   2.057
  468   HG23  VAL  64          HG23      VAL  64 -10.281  11.153   3.789
  469    H    ALA  65           HN       ALA  65  -5.887  10.554   1.362
  470    HA   ALA  65           HA       ALA  65  -4.553   8.132   2.137
  471    HB1  ALA  65           HB1      ALA  65  -3.167   8.542   0.180
  472    HB2  ALA  65           HB2      ALA  65  -3.845  10.158   0.014
  473    HB3  ALA  65           HB3      ALA  65  -4.870   8.738  -0.211
  474    H    GLY  66           HN       GLY  66  -4.119  11.512   2.685
  475    HA2  GLY  66           HA2      GLY  66  -1.321  11.359   3.391
  476    HA3  GLY  66           HA1      GLY  66  -2.386  12.737   3.633
  477    H    ARG  67           HN       ARG  67  -2.776   9.486   4.780
  478    HA   ARG  67           HA       ARG  67  -2.438  10.361   7.571
  479    HB2  ARG  67           HB2      ARG  67  -4.613   8.586   6.449
  480    HB3  ARG  67           HB1      ARG  67  -4.326   8.845   8.166
  481    HG2  ARG  67           HG2      ARG  67  -4.960  11.133   8.012
  482    HG3  ARG  67           HG1      ARG  67  -4.946  11.069   6.247
  483    HD2  ARG  67           HD2      ARG  67  -7.209  11.030   7.120
  484    HD3  ARG  67           HD1      ARG  67  -6.815   9.533   6.268
  485    HE   ARG  67           HE       ARG  67  -6.727   9.760   9.202
  486   HH11  ARG  67          HH11      ARG  67  -7.616   7.958   6.298
  487   HH12  ARG  67          HH12      ARG  67  -8.583   6.812   7.098
  488   HH21  ARG  67          HH21      ARG  67  -8.026   8.161  10.355
  489   HH22  ARG  67          HH22      ARG  67  -8.773   6.899   9.490
  490    H    VAL  68           HN       VAL  68  -1.452   8.359   5.123
  491    HA   VAL  68           HA       VAL  68  -1.006   6.035   6.779
  492    HB   VAL  68           HB       VAL  68  -0.081   4.977   4.729
  493   HG11  VAL  68          HG11      VAL  68  -2.176   4.891   3.450
  494   HG12  VAL  68          HG12      VAL  68  -2.761   6.294   4.356
  495   HG13  VAL  68          HG13      VAL  68  -2.443   4.776   5.189
  496   HG21  VAL  68          HG21      VAL  68   0.820   7.001   3.631
  497   HG22  VAL  68          HG22      VAL  68  -0.826   7.549   3.323
  498   HG23  VAL  68          HG23      VAL  68  -0.221   6.072   2.562
  499    H    ASP  69           HN       ASP  69   0.599   6.193   8.191
  500    HA   ASP  69           HA       ASP  69   3.061   7.553   7.364
  501    HB2  ASP  69           HB2      ASP  69   2.093   8.169   9.568
  502    HB3  ASP  69           HB1      ASP  69   2.243   6.497  10.092
  503    H    THR  70           HN       THR  70   1.740   4.506   8.457
  504    HA   THR  70           HA       THR  70   4.148   3.128   7.506
  505    HB   THR  70           HB       THR  70   3.675   1.386   9.185
  506    HG1  THR  70           HG1      THR  70   1.443   3.059   9.845
  507   HG21  THR  70          HG21      THR  70   3.643   4.119  10.446
  508   HG22  THR  70          HG22      THR  70   5.091   3.264   9.894
  509   HG23  THR  70          HG23      THR  70   4.142   2.625  11.244
  510    HA   PRO  71           HA       PRO  71   1.557   0.763   4.656
  511    HB2  PRO  71           HB2      PRO  71   2.577  -1.695   6.028
  512    HB3  PRO  71           HB1      PRO  71   2.549  -1.307   4.297
  513    HG2  PRO  71           HG2      PRO  71   4.804  -1.147   5.616
  514    HG3  PRO  71           HG1      PRO  71   4.369   0.157   4.492
  515    HD2  PRO  71           HD2      PRO  71   4.166   0.084   7.479
  516    HD3  PRO  71           HD1      PRO  71   4.749   1.392   6.427
  517    H    ARG  72           HN       ARG  72   1.404   0.122   8.051
  518    HA   ARG  72           HA       ARG  72  -0.770  -1.600   8.255
  519    HB2  ARG  72           HB2      ARG  72   0.693  -1.057  10.099
  520    HB3  ARG  72           HB1      ARG  72   0.199   0.621  10.042
  521    HG2  ARG  72           HG2      ARG  72  -2.066  -0.047  10.741
  522    HG3  ARG  72           HG1      ARG  72  -1.496  -1.720  10.875
  523    HD2  ARG  72           HD2      ARG  72  -1.477  -0.491  13.042
  524    HD3  ARG  72           HD1      ARG  72   0.115  -1.093  12.548
  525    HE   ARG  72           HE       ARG  72  -0.472   1.612  11.717
  526   HH11  ARG  72          HH11      ARG  72   0.965  -0.317  14.381
  527   HH12  ARG  72          HH12      ARG  72   1.961   0.960  14.896
  528   HH21  ARG  72          HH21      ARG  72   0.843   3.240  12.398
  529   HH22  ARG  72          HH22      ARG  72   1.872   3.102  13.765
  530    H    GLU  73           HN       GLU  73  -0.672   1.980   8.234
  531    HA   GLU  73           HA       GLU  73  -3.479   2.316   8.386
  532    HB2  GLU  73           HB2      GLU  73  -1.379   4.240   7.346
  533    HB3  GLU  73           HB1      GLU  73  -3.066   4.653   7.551
  534    HG2  GLU  73           HG2      GLU  73  -1.872   5.558   9.387
  535    HG3  GLU  73           HG1      GLU  73  -2.784   4.185  10.002
  536    H    LEU  74           HN       LEU  74  -1.286   1.835   5.763
  537    HA   LEU  74           HA       LEU  74  -3.011   2.656   3.628
  538    HB2  LEU  74           HB2      LEU  74  -0.413   2.256   3.656
  539    HB3  LEU  74           HB1      LEU  74  -0.822   0.589   3.352
  540    HG   LEU  74           HG       LEU  74  -1.441   2.921   1.521
  541   HD11  LEU  74          HD11      LEU  74   0.225   1.944   0.048
  542   HD12  LEU  74          HD12      LEU  74   0.583   0.719   1.265
  543   HD13  LEU  74          HD13      LEU  74   0.912   2.419   1.602
  544   HD21  LEU  74          HD21      LEU  74  -2.091   1.247  -0.139
  545   HD22  LEU  74          HD22      LEU  74  -3.112   1.156   1.302
  546   HD23  LEU  74          HD23      LEU  74  -1.837  -0.038   1.052
  547    H    LEU  75           HN       LEU  75  -2.195  -0.496   5.041
  548    HA   LEU  75           HA       LEU  75  -3.821  -2.152   3.471
  549    HB2  LEU  75           HB2      LEU  75  -2.101  -2.921   5.083
  550    HB3  LEU  75           HB1      LEU  75  -3.135  -2.425   6.405
  551    HG   LEU  75           HG       LEU  75  -4.830  -4.131   5.540
  552   HD11  LEU  75          HD11      LEU  75  -2.461  -5.038   3.947
  553   HD12  LEU  75          HD12      LEU  75  -3.955  -4.353   3.298
  554   HD13  LEU  75          HD13      LEU  75  -3.984  -5.908   4.136
  555   HD21  LEU  75          HD21      LEU  75  -3.427  -4.538   7.508
  556   HD22  LEU  75          HD22      LEU  75  -2.139  -5.139   6.470
  557   HD23  LEU  75          HD23      LEU  75  -3.668  -6.014   6.575
  558    H    ASP  76           HN       ASP  76  -4.421  -0.573   6.553
  559    HA   ASP  76           HA       ASP  76  -7.034  -1.450   7.029
  560    HB2  ASP  76           HB2      ASP  76  -5.468  -0.399   8.676
  561    HB3  ASP  76           HB1      ASP  76  -5.786   1.152   7.917
  562    H    LEU  77           HN       LEU  77  -5.801   1.394   5.333
  563    HA   LEU  77           HA       LEU  77  -8.223   2.731   4.934
  564    HB2  LEU  77           HB2      LEU  77  -5.994   3.755   4.614
  565    HB3  LEU  77           HB1      LEU  77  -5.745   2.752   3.207
  566    HG   LEU  77           HG       LEU  77  -7.585   3.900   2.060
  567   HD11  LEU  77          HD11      LEU  77  -8.900   4.489   3.993
  568   HD12  LEU  77          HD12      LEU  77  -8.514   5.940   3.055
  569   HD13  LEU  77          HD13      LEU  77  -7.635   5.580   4.549
  570   HD21  LEU  77          HD21      LEU  77  -5.298   4.709   1.781
  571   HD22  LEU  77          HD22      LEU  77  -5.477   5.736   3.200
  572   HD23  LEU  77          HD23      LEU  77  -6.446   6.050   1.755
  573    H    ILE  78           HN       ILE  78  -6.549   0.331   2.947
  574    HA   ILE  78           HA       ILE  78  -8.369   0.471   0.760
  575    HB   ILE  78           HB       ILE  78  -6.588  -1.845   1.598
  576   HG12  ILE  78          HG12      ILE  78  -5.297   0.214   1.145
  577   HG13  ILE  78          HG11      ILE  78  -4.981  -1.026  -0.062
  578   HG21  ILE  78          HG21      ILE  78  -7.951  -1.313  -1.051
  579   HG22  ILE  78          HG22      ILE  78  -8.334  -2.596   0.103
  580   HG23  ILE  78          HG23      ILE  78  -6.793  -2.608  -0.737
  581   HD11  ILE  78          HD11      ILE  78  -5.158   1.178  -1.073
  582   HD12  ILE  78          HD12      ILE  78  -6.788   1.354  -0.410
  583   HD13  ILE  78          HD13      ILE  78  -6.457   0.117  -1.619
  584    H    ASN  79           HN       ASN  79  -7.961  -1.781   3.452
  585    HA   ASN  79           HA       ASN  79 -10.083  -3.514   3.012
  586    HB2  ASN  79           HB2      ASN  79  -8.975  -2.540   5.647
  587    HB3  ASN  79           HB1      ASN  79 -10.111  -3.856   5.502
  588   HD21  ASN  79          HD21      ASN  79  -8.676  -4.805   3.031
  589   HD22  ASN  79          HD22      ASN  79  -7.244  -5.562   3.630
  590    H    GLY  80           HN       GLY  80 -10.043  -0.569   4.968
  591    HA2  GLY  80           HA2      GLY  80 -12.731  -0.651   5.751
  592    HA3  GLY  80           HA1      GLY  80 -11.693   0.767   5.784
  593    H    ALA  81           HN       ALA  81 -11.177   0.989   2.973
  594    HA   ALA  81           HA       ALA  81 -13.554   2.342   2.278
  595    HB1  ALA  81           HB1      ALA  81 -11.107   1.782   0.616
  596    HB2  ALA  81           HB2      ALA  81 -11.345   3.158   1.688
  597    HB3  ALA  81           HB3      ALA  81 -12.369   2.983   0.261
  598    H    LEU  82           HN       LEU  82 -12.165  -0.757   1.397
  599    HA   LEU  82           HA       LEU  82 -13.916  -1.442  -0.686
  600    HB2  LEU  82           HB2      LEU  82 -12.568  -3.141   1.411
  601    HB3  LEU  82           HB1      LEU  82 -13.568  -3.834   0.159
  602    HG   LEU  82           HG       LEU  82 -11.074  -2.210  -0.386
  603   HD11  LEU  82          HD11      LEU  82 -10.553  -4.298   0.801
  604   HD12  LEU  82          HD12      LEU  82 -10.022  -4.362  -0.876
  605   HD13  LEU  82          HD13      LEU  82 -11.499  -5.204  -0.385
  606   HD21  LEU  82          HD21      LEU  82 -12.776  -3.985  -2.141
  607   HD22  LEU  82          HD22      LEU  82 -11.298  -3.149  -2.630
  608   HD23  LEU  82          HD23      LEU  82 -12.731  -2.221  -2.192
  609    H    ALA  83           HN       ALA  83 -14.223  -1.610   2.777
  610    HA   ALA  83           HA       ALA  83 -16.795  -2.856   2.704
  611    HB1  ALA  83           HB1      ALA  83 -15.232  -3.280   4.536
  612    HB2  ALA  83           HB2      ALA  83 -16.793  -2.678   5.090
  613    HB3  ALA  83           HB3      ALA  83 -15.396  -1.593   5.054
  614    H    GLU  84           HN       GLU  84 -16.010   0.234   1.870
  615    HA   GLU  84           HA       GLU  84 -18.341   1.424   3.108
  616    HB2  GLU  84           HB2      GLU  84 -16.355   2.855   2.474
  617    HB3  GLU  84           HB1      GLU  84 -16.686   2.501   0.783
  618    HG2  GLU  84           HG2      GLU  84 -18.881   3.577   0.988
  619    HG3  GLU  84           HG1      GLU  84 -18.537   3.944   2.670
  620    H    ALA  85           HN       ALA  85 -17.434  -0.321   0.343
  621    HA   ALA  85           HA       ALA  85 -20.014   0.076  -0.969
  622    HB1  ALA  85           HB1      ALA  85 -17.534  -1.371  -1.918
  623    HB2  ALA  85           HB2      ALA  85 -18.005   0.265  -2.373
  624    HB3  ALA  85           HB3      ALA  85 -18.996  -1.103  -2.871
  625    H    ALA  86           HN       ALA  86 -17.879  -2.502   0.267
  626    HA   ALA  86           HA       ALA  86 -19.981  -4.465  -0.004
  627    HB1  ALA  86           HB1      ALA  86 -18.276  -6.085   0.628
  628    HB2  ALA  86           HB2      ALA  86 -17.148  -4.781   0.999
  629    HB3  ALA  86           HB3      ALA  86 -17.676  -5.042  -0.662
  630   H28A  SXR 101          H28A      SXR  42   5.079  10.285  -7.080
  631   H28B  SXR 101          H28B      SXR  42   4.016  10.343  -5.675
  632   H30A  SXR 101          H30A      SXR  42   2.915   9.462  -7.460
  633   H30B  SXR 101          H30B      SXR  42   2.580  10.383  -8.936
  634   H30C  SXR 101          H30C      SXR  42   1.525  10.545  -7.530
  635   H31A  SXR 101          H31A      SXR  42   2.869  12.432  -5.447
  636   H31B  SXR 101          H31B      SXR  42   1.495  12.125  -6.508
  637   H31C  SXR 101          H31C      SXR  42   2.583  13.470  -6.844
  638   H32A  SXR 101          H32A      SXR  42   4.665  11.744  -9.112
  639   H33A  SXR 101          H33A      SXR  42   5.060  13.150  -7.130
  640   H36A  SXR 101          H36A      SXR  42   3.291  14.707  -8.624
  641   H37A  SXR 101          H37A      SXR  42   2.182  15.924 -10.423
  642   H37B  SXR 101          H37B      SXR  42   1.338  14.433 -10.846
  643   H38A  SXR 101          H38A      SXR  42   0.947  16.018  -8.295
  644   H38B  SXR 101          H38B      SXR  42  -0.144  16.033  -9.673
  645   H41A  SXR 101          H41A      SXR  42  -0.004  14.994  -6.739
  646   H42A  SXR 101          H42A      SXR  42  -1.871  12.826  -7.039
  647   H42B  SXR 101          H42B      SXR  42  -0.301  12.363  -6.393
  648   H43A  SXR 101          H43A      SXR  42  -1.805  12.832  -4.531
  649   H43B  SXR 101          H43B      SXR  42  -2.164  14.423  -5.212
  650   H11A  SXR 101          H11A      SXR  42  -0.996   9.116  -2.770
  651   H10A  SXR 101          H10A      SXR  42  -2.205   7.071  -3.469
  652    H9A  SXR 101           H9A      SXR  42  -2.600   5.257  -1.836
  653    H8A  SXR 101           H8A      SXR  42  -1.798   5.480   0.484
  654    H7A  SXR 101           H7A      SXR  42  -0.588   7.531   1.185
  655    H5A  SXR 101           H5A      SXR  42   0.700   9.821   0.519
  656    H5B  SXR 101           H5B      SXR  42   0.874   9.404  -0.928
  657    H4A  SXR 101           H4A      SXR  42  -1.416  11.007  -1.549
  658    H4B  SXR 101           H4B      SXR  42  -1.348  10.941  -0.041
  659    H2A  SXR 101           H2A      SXR  42  -0.766  14.088  -1.668
  660    H2B  SXR 101           H2B      SXR  42   0.680  13.992  -1.317
  661    H1A  SXR 101           H1A      SXR  42   1.025  12.278  -3.610
  662    H1B  SXR 101           H1B      SXR  42  -0.464  12.299  -3.283