*HEADER    METAL BINDING PROTEIN                   08-SEP-09   2KNY              
*TITLE     FUSION CONSTRUCT OF CR17 FROM LRP-1 AND APOE RESIDUES 130-            
*TITLE    2 149                                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FUSION OF LRP AND APO-E;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FUSION OF LRP UNP RESIDUES 2770-2817 AND APO-E             
*COMPND   5 UNP RESIDUES 147-167;                                                
*COMPND   6 SYNONYM: LRP, ALPHA-2-MACROGLOBULIN RECEPTOR, A2MR,                  
*COMPND   7 APOLIPOPROTEIN E RECEPTOR, APOER, LOW-DENSITY LIPOPROTEIN            
*COMPND   8 RECEPTOR-RELATED PROTEIN 1 85 KDA SUBUNIT, LRP-85, LOW-              
*COMPND   9 DENSITY LIPOPROTEIN RECEPTOR-RELATED PROTEIN 1 515 KDA               
*COMPND  10 SUBUNIT, LRP-515, LOW-DENSITY LIPOPROTEIN RECEPTOR-RELATED           
*COMPND  11 PROTEIN 1 INTRACELLULAR DOMAIN, LRPICD;                              
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: LRP1, A2MR, APR;                                               
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21-DE3;                                  
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PMMHB                                      
*KEYWDS    LRP, APOE, LIPOPROTEIN RECEPTOR, LIGAND BINDING MODULE,               
*KEYWDS   2 COMPLEMENT REPEAT, CALCIUM, CELL MEMBRANE, COATED PIT,               
*KEYWDS   3 CYTOPLASM, DEVELOPMENTAL PROTEIN, DISULFIDE BOND, EGF-LIKE           
*KEYWDS   4 DOMAIN, ENDOCYTOSIS, GLYCOPROTEIN, MEMBRANE, METAL-BINDING,          
*KEYWDS   5 NUCLEUS, PHOSPHOPROTEIN, POLYMORPHISM, RECEPTOR,                     
*KEYWDS   6 TRANSMEMBRANE, PROTEIN BINDING, METAL BINDING PROTEIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.GUTTMAN, E.A.KOMIVES                                                
*REVDAT   1   14-APR-10 2KNY    0                                                


! fake Calcium restraints for 16AE

!assign (residue 32 and name O) (residue 27 and name O) 3.8 0 1.0
!assign (residue 30 and name OD2) (residue 40 and name OD1) 3.8 0 1.0
!assign (residue 34 and name OD1) (residue 41 and name OE2) 3.8 0 1.0

!assign (residue 32 and name O) (residue 30 and name OD2) 2.5 0 0.9
!assign (residue 32 and name O) (residue 40 and name OD1) 2.5 0 0.9
!assign (residue 32 and name O) (residue 34 and name OD1) 2.5 0 0.9
!assign (residue 32 and name O) (residue 41 and name OE2) 2.5 0 0.9

!assign (residue 30 and name OD2) (residue 32 and name OD1) 2.5 0 0.9
!assign (residue 30 and name OD2) (residue 27 and name O) 2.5 0 0.9
!assign (residue 30 and name OD2) (residue 41 and name OE2) 2.5 0 0.9

!assign (residue 40 and name OD1) (residue 27 and name O) 2.5 0 0.9
!assign (residue 40 and name OD1) (residue 41 and name OE2) 2.5 0 0.9

!assign (residue 41 and name OE2) (residue 27 and name O) 2.5 0 0.9

assign (residue 81 and name CA) (residue 27 and name O) 1.8 0 0.7
assign (residue 81 and name CA) (residue 30 and name OD2) 1.8 0 0.7
assign (residue 81 and name CA) (residue 32 and name O) 1.8 0 0.7
assign (residue 81 and name CA) (residue 34 and name OD1) 1.8 0 0.7
assign (residue 81 and name CA) (residue 40 and name OD1) 1.8 0 0.7
assign (residue 81 and name CA) (residue 41 and name OE2) 1.8 0 0.7


! S 13  Phi Psi
assign (resid  12 and name C ) (resid  13 and name N)
       (resid  13 and name CA) (resid  13 and name C) 1.0  -138.00    44.00  2
assign (resid  13 and name N) (resid  13 and name CA)
       (resid  13 and name C) (resid  14 and name  N) 1.0   152.00    42.00  2
! F 14  Phi Psi
assign (resid  13 and name C ) (resid  14 and name N)
       (resid  14 and name CA) (resid  14 and name C) 1.0  -120.00    36.00  2
assign (resid  14 and name N) (resid  14 and name CA)
       (resid  14 and name C) (resid  15 and name  N) 1.0   131.00    30.00  2
! S 15  Phi Psi
assign (resid  14 and name C ) (resid  15 and name N)
       (resid  15 and name CA) (resid  15 and name C) 1.0  -105.00    42.00  2
assign (resid  15 and name N) (resid  15 and name CA)
       (resid  15 and name C) (resid  16 and name  N) 1.0   118.00    30.00  2
! c 16  Phi Psi
assign (resid  15 and name C ) (resid  16 and name N)
       (resid  16 and name CA) (resid  16 and name C) 1.0   -93.00    48.00  2
assign (resid  16 and name N) (resid  16 and name CA)
       (resid  16 and name C) (resid  17 and name  N) 1.0   138.00    50.00  2
! P 17  Phi Psi
assign (resid  16 and name C ) (resid  17 and name N)
       (resid  17 and name CA) (resid  17 and name C) 1.0   -62.00    30.00  2
assign (resid  17 and name N) (resid  17 and name CA)
       (resid  17 and name C) (resid  18 and name  N) 1.0   136.00    30.00  2
! G 18  Phi Psi
assign (resid  17 and name C ) (resid  18 and name N)
       (resid  18 and name CA) (resid  18 and name C) 1.0    85.00    30.00  2
assign (resid  18 and name N) (resid  18 and name CA)
       (resid  18 and name C) (resid  19 and name  N) 1.0    -6.00    34.00  2
! T 19  Phi Psi
assign (resid  18 and name C ) (resid  19 and name N)
       (resid  19 and name CA) (resid  19 and name C) 1.0  -131.00    42.00  2
assign (resid  19 and name N) (resid  19 and name CA)
       (resid  19 and name C) (resid  20 and name  N) 1.0   157.00    30.00  2
! V 21  Phi Psi
assign (resid  20 and name C ) (resid  21 and name N)
       (resid  21 and name CA) (resid  21 and name C) 1.0   -92.00    44.00  2
assign (resid  21 and name N) (resid  21 and name CA)
       (resid  21 and name C) (resid  22 and name  N) 1.0   129.00    30.00  2
! c 22  Phi Psi
assign (resid  21 and name C ) (resid  22 and name N)
       (resid  22 and name CA) (resid  22 and name C) 1.0  -109.00    30.00  2
assign (resid  22 and name N) (resid  22 and name CA)
       (resid  22 and name C) (resid  23 and name  N) 1.0   131.00    30.00  2
! V 23  Phi Psi
assign (resid  22 and name C ) (resid  23 and name N)
       (resid  23 and name CA) (resid  23 and name C) 1.0  -128.00    34.00  2
assign (resid  23 and name N) (resid  23 and name CA)
       (resid  23 and name C) (resid  24 and name  N) 1.0   151.00    30.00  2
! E 25  Phi Psi
assign (resid  24 and name C ) (resid  25 and name N)
       (resid  25 and name CA) (resid  25 and name C) 1.0   -51.00    30.00  2
assign (resid  25 and name N) (resid  25 and name CA)
       (resid  25 and name C) (resid  26 and name  N) 1.0   -40.00    30.00  2
! R 26  Phi Psi
assign (resid  25 and name C ) (resid  26 and name N)
       (resid  26 and name CA) (resid  26 and name C) 1.0   -75.00    30.00  2
assign (resid  26 and name N) (resid  26 and name CA)
       (resid  26 and name C) (resid  27 and name  N) 1.0   -16.00    30.00  2
!! c 29  Phi Psi
!assign (resid  28 and name C ) (resid  29 and name N)
!       (resid  29 and name CA) (resid  29 and name C) 1.0   -89.00    42.00  2
!assign (resid  29 and name N) (resid  29 and name CA)
!       (resid  29 and name C) (resid  30 and name  N) 1.0   129.00    86.00  2
! G 31  Phi Psi
assign (resid  30 and name C ) (resid  31 and name N)
       (resid  31 and name CA) (resid  31 and name C) 1.0    82.00    32.00  2
assign (resid  31 and name N) (resid  31 and name CA)
       (resid  31 and name C) (resid  32 and name  N) 1.0     7.00    48.00  2
! K 33  Phi Psi
assign (resid  32 and name C ) (resid  33 and name N)
       (resid  33 and name CA) (resid  33 and name C) 1.0   -86.00    30.00  2
assign (resid  33 and name N) (resid  33 and name CA)
       (resid  33 and name C) (resid  34 and name  N) 1.0   123.00    44.00  2
! A 36  Phi Psi
assign (resid  35 and name C ) (resid  36 and name N)
       (resid  36 and name CA) (resid  36 and name C) 1.0   -55.00    30.00  2
assign (resid  36 and name N) (resid  36 and name CA)
       (resid  36 and name C) (resid  37 and name  N) 1.0   -37.00    30.00  2
! D 37  Phi Psi
assign (resid  36 and name C ) (resid  37 and name N)
       (resid  37 and name CA) (resid  37 and name C) 1.0   -89.00    36.00  2
assign (resid  37 and name N) (resid  37 and name CA)
       (resid  37 and name C) (resid  38 and name  N) 1.0     7.00    30.00  2
! A 39  Phi Psi
assign (resid  38 and name C ) (resid  39 and name N)
       (resid  39 and name CA) (resid  39 and name C) 1.0   -66.00    30.00  2
assign (resid  39 and name N) (resid  39 and name CA)
       (resid  39 and name C) (resid  40 and name  N) 1.0   -39.00    30.00  2
! D 40  Phi Psi
assign (resid  39 and name C ) (resid  40 and name N)
       (resid  40 and name CA) (resid  40 and name C) 1.0   -67.00    30.00  2
assign (resid  40 and name N) (resid  40 and name CA)
       (resid  40 and name C) (resid  41 and name  N) 1.0   -18.00    30.00  2
! S 42  Phi Psi
assign (resid  41 and name C ) (resid  42 and name N)
       (resid  42 and name CA) (resid  42 and name C) 1.0   -87.00    36.00  2
assign (resid  42 and name N) (resid  42 and name CA)
       (resid  42 and name C) (resid  43 and name  N) 1.0   166.00    30.00  2
! I 43  Phi Psi
assign (resid  42 and name C ) (resid  43 and name N)
       (resid  43 and name CA) (resid  43 and name C) 1.0   -57.00    30.00  2
assign (resid  43 and name N) (resid  43 and name CA)
       (resid  43 and name C) (resid  44 and name  N) 1.0   -34.00    30.00  2
! A 44  Phi Psi
assign (resid  43 and name C ) (resid  44 and name N)
       (resid  44 and name CA) (resid  44 and name C) 1.0   -64.00    30.00  2
assign (resid  44 and name N) (resid  44 and name CA)
       (resid  44 and name C) (resid  45 and name  N) 1.0   -28.00    30.00  2
! A 45  Phi Psi
assign (resid  44 and name C ) (resid  45 and name N)
       (resid  45 and name CA) (resid  45 and name C) 1.0   -90.00    30.00  2
assign (resid  45 and name N) (resid  45 and name CA)
       (resid  45 and name C) (resid  46 and name  N) 1.0     1.00    30.00  2
! G 46  Phi Psi
assign (resid  45 and name C ) (resid  46 and name N)
       (resid  46 and name CA) (resid  46 and name C) 1.0    79.00    30.00  2
assign (resid  46 and name N) (resid  46 and name CA)
       (resid  46 and name C) (resid  47 and name  N) 1.0    20.00    30.00  2
! S 60  Phi Psi
assign (resid  59 and name C ) (resid  60 and name N)
       (resid  60 and name CA) (resid  60 and name C) 1.0   -70.00    30.00  2
assign (resid  60 and name N) (resid  60 and name CA)
       (resid  60 and name C) (resid  61 and name  N) 1.0   -34.00    30.00  2
! T 61  Phi Psi
assign (resid  60 and name C ) (resid  61 and name N)
       (resid  61 and name CA) (resid  61 and name C) 1.0   -66.00    30.00  2
assign (resid  61 and name N) (resid  61 and name CA)
       (resid  61 and name C) (resid  62 and name  N) 1.0   -38.00    30.00  2
! E 62  Phi Psi
assign (resid  61 and name C ) (resid  62 and name N)
       (resid  62 and name CA) (resid  62 and name C) 1.0   -62.00    30.00  2
assign (resid  62 and name N) (resid  62 and name CA)
       (resid  62 and name C) (resid  63 and name  N) 1.0   -43.00    30.00  2
! E 63  Phi Psi
assign (resid  62 and name C ) (resid  63 and name N)
       (resid  63 and name CA) (resid  63 and name C) 1.0   -61.00    30.00  2
assign (resid  63 and name N) (resid  63 and name CA)
       (resid  63 and name C) (resid  64 and name  N) 1.0   -42.00    30.00  2
! L 64  Phi Psi
assign (resid  63 and name C ) (resid  64 and name N)
       (resid  64 and name CA) (resid  64 and name C) 1.0   -61.00    30.00  2
assign (resid  64 and name N) (resid  64 and name CA)
       (resid  64 and name C) (resid  65 and name  N) 1.0   -43.00    30.00  2
! R 65  Phi Psi
assign (resid  64 and name C ) (resid  65 and name N)
       (resid  65 and name CA) (resid  65 and name C) 1.0   -59.00    34.00  2
assign (resid  65 and name N) (resid  65 and name CA)
       (resid  65 and name C) (resid  66 and name  N) 1.0   -41.00    30.00  2
! V 66  Phi Psi
assign (resid  65 and name C ) (resid  66 and name N)
       (resid  66 and name CA) (resid  66 and name C) 1.0   -62.00    30.00  2
assign (resid  66 and name N) (resid  66 and name CA)
       (resid  66 and name C) (resid  67 and name  N) 1.0   -41.00    30.00  2
! R 67  Phi Psi
assign (resid  66 and name C ) (resid  67 and name N)
       (resid  67 and name CA) (resid  67 and name C) 1.0   -68.00    30.00  2
assign (resid  67 and name N) (resid  67 and name CA)
       (resid  67 and name C) (resid  68 and name  N) 1.0   -32.00    36.00  2
! L 68  Phi Psi
assign (resid  67 and name C ) (resid  68 and name N)
       (resid  68 and name CA) (resid  68 and name C) 1.0   -63.00    30.00  2
assign (resid  68 and name N) (resid  68 and name CA)
       (resid  68 and name C) (resid  69 and name  N) 1.0   -41.00    34.00  2
! A 69  Phi Psi
assign (resid  68 and name C ) (resid  69 and name N)
       (resid  69 and name CA) (resid  69 and name C) 1.0   -66.00    30.00  2
assign (resid  69 and name N) (resid  69 and name CA)
       (resid  69 and name C) (resid  70 and name  N) 1.0   -34.00    30.00  2
! S 70  Phi Psi
assign (resid  69 and name C ) (resid  70 and name N)
       (resid  70 and name CA) (resid  70 and name C) 1.0   -63.00    30.00  2
assign (resid  70 and name N) (resid  70 and name CA)
       (resid  70 and name C) (resid  71 and name  N) 1.0   -38.00    34.00  2
! H 71  Phi Psi
assign (resid  70 and name C ) (resid  71 and name N)
       (resid  71 and name CA) (resid  71 and name C) 1.0   -65.00    30.00  2
assign (resid  71 and name N) (resid  71 and name CA)
       (resid  71 and name C) (resid  72 and name  N) 1.0   -37.00    34.00  2
! L 72  Phi Psi
assign (resid  71 and name C ) (resid  72 and name N)
       (resid  72 and name CA) (resid  72 and name C) 1.0   -67.00    68.00  2
assign (resid  72 and name N) (resid  72 and name CA)
       (resid  72 and name C) (resid  73 and name  N) 1.0   -34.00    36.00  2
! R 73  Phi Psi
assign (resid  72 and name C ) (resid  73 and name N)
       (resid  73 and name CA) (resid  73 and name C) 1.0   -62.00    30.00  2
assign (resid  73 and name N) (resid  73 and name CA)
       (resid  73 and name C) (resid  74 and name  N) 1.0   -40.00    34.00  2
! K 74  Phi Psi
assign (resid  73 and name C ) (resid  74 and name N)
       (resid  74 and name CA) (resid  74 and name C) 1.0   -67.00    30.00  2
assign (resid  74 and name N) (resid  74 and name CA)
       (resid  74 and name C) (resid  75 and name  N) 1.0   -35.00    34.00  2
! L 75  Phi Psi
assign (resid  74 and name C ) (resid  75 and name N)
       (resid  75 and name CA) (resid  75 and name C) 1.0   -72.00    32.00  2
assign (resid  75 and name N) (resid  75 and name CA)
       (resid  75 and name C) (resid  76 and name  N) 1.0   -32.00    54.00  2
assign (resid   27 and name  HZ2) (resid   27 and name  HH2) 2.674 0.894 0.894 !13Cnoesy, no=4, id=0, vol=1.144770e+02
assign (resid   27 and name  HE3) (resid   27 and name  HH2) 3.485 1.518 1.518 !13Cnoesy, no=5, id=1, vol=1.211960e+02
assign (resid   49 and name  HD1) (resid   48 and name  HB2) 3.358 1.409 1.409 !13Cnoesy, no=21, id=13, vol=1.331710e+02
    or (resid   49 and name  HD1) (resid   48 and name  HB1)
    or (resid   49 and name  HD2) (resid   48 and name  HB2)
    or (resid   49 and name  HD2) (resid   48 and name  HB1)
assign (resid   14 and name  HE1) (resid   14 and name   HZ) 2.468 0.761 0.761 !13Cnoesy, no=27, id=18, vol=1.292640e+02
    or (resid   14 and name  HE2) (resid   14 and name   HZ)
assign (resid   49 and name  HD1) (resid   49 and name  HE1) 1.769 0.391 0.391 !13Cnoesy, no=34, id=23, vol=1.180420e+02
    or (resid   49 and name  HD1) (resid   49 and name  HE2)
    or (resid   49 and name  HD2) (resid   49 and name  HE1)
    or (resid   49 and name  HD2) (resid   49 and name  HE2)
assign (resid   49 and name  HE1) (resid   62 and name   HA) 3.223 1.299 1.299 !13Cnoesy, no=38, id=26, vol=1.180220e+02
    or (resid   49 and name  HE2) (resid   62 and name   HA)
assign (resid   49 and name  HE1) (resid   41 and name  HB2) 3.000 1.125 2.675 !13Cnoesy, no=43, id=31, vol=1.180130e+02
    or (resid   49 and name  HE2) (resid   41 and name  HB2)
assign (resid   49 and name  HE1) (resid   48 and name  HB2) 3.123 1.219 1.219 !13Cnoesy, no=44, id=32, vol=1.180420e+02
    or (resid   49 and name  HE1) (resid   48 and name  HB1)
    or (resid   49 and name  HE2) (resid   48 and name  HB2)
    or (resid   49 and name  HE2) (resid   48 and name  HB1)
assign (resid   49 and name  HE1) (resid   48 and name HD22) 2.658 0.883 0.883 !13Cnoesy, no=45, id=33, vol=1.180010e+02
    or (resid   49 and name  HE1) (resid   48 and name HD21)
    or (resid   49 and name  HE1) (resid   48 and name HD23)
    or (resid   49 and name  HE2) (resid   48 and name HD22)
    or (resid   49 and name  HE2) (resid   48 and name HD21)
    or (resid   49 and name  HE2) (resid   48 and name HD23)
assign (resid   22 and name   HA) (resid   22 and name  HB1) 2.803 0.982 0.982 !13Cnoesy, no=49, id=36, vol=5.366100e+01
assign (resid   22 and name   HA) (resid   22 and name  HB2) 2.819 0.993 0.993 !13Cnoesy, no=50, id=37, vol=5.367300e+01
assign (resid   27 and name   HA) (resid   27 and name  HD1) 2.558 0.818 0.818 !13Cnoesy, no=52, id=38, vol=5.424900e+01
assign (resid   27 and name   HA) (resid   27 and name  HB1) 2.817 0.992 0.992 !13Cnoesy, no=53, id=39, vol=5.423900e+01
assign (resid   27 and name   HA) (resid   27 and name  HB2) 2.886 1.041 1.041 !13Cnoesy, no=54, id=40, vol=5.422600e+01
assign (resid   35 and name   HA) (resid   35 and name  HB1) 2.506 0.785 0.785 !13Cnoesy, no=57, id=42, vol=5.224500e+01
assign (resid   35 and name   HA) (resid   35 and name  HB2) 2.572 0.827 0.827 !13Cnoesy, no=58, id=43, vol=5.224100e+01
assign (resid   13 and name   HA) (resid   24 and name   HA) 2.482 0.770 0.770 !13Cnoesy, no=62, id=46, vol=5.761800e+01
assign (resid   30 and name   HA) (resid   66 and name HG12) 3.003 1.127 1.127 !13Cnoesy, no=68, id=51, vol=5.265300e+01
    or (resid   30 and name   HA) (resid   66 and name HG11)
    or (resid   30 and name   HA) (resid   66 and name HG13)
assign (resid   16 and name   HA) (resid   14 and name  HE1) 3.060 1.171 1.171 !13Cnoesy, no=69, id=52, vol=5.266400e+01
    or (resid   16 and name   HA) (resid   14 and name  HE2)
assign (resid   37 and name   HA) (resid   36 and name   HA) 3.370 1.420 1.420 !13Cnoesy, no=75, id=57, vol=5.261200e+01
assign (resid   37 and name   HA) (resid   37 and name  HB2) 2.266 2.266 3.734 !13Cnoesy, no=76, id=58, vol=5.259000e+01
assign (resid   37 and name   HA) (resid   37 and name  HB1) 2.272 0.645 0.645 !13Cnoesy, no=77, id=59, vol=5.258400e+01
assign (resid   34 and name   HA) (resid   34 and name  HB2) 2.526 0.798 0.798 !13Cnoesy, no=80, id=61, vol=5.682500e+01
assign (resid   34 and name   HA) (resid   34 and name  HB1) 2.607 0.849 0.849 !13Cnoesy, no=82, id=63, vol=5.678600e+01
assign (resid   49 and name  HD1) (resid   49 and name   HA) 2.345 2.345 3.655 !13Cnoesy, no=83, id=64, vol=5.743000e+01
    or (resid   49 and name  HD2) (resid   49 and name   HA)
assign (resid   49 and name  HE1) (resid   49 and name   HA) 2.927 2.927 3.073 !13Cnoesy, no=84, id=65, vol=5.748600e+01
    or (resid   49 and name  HE2) (resid   49 and name   HA)
assign (resid   49 and name   HA) (resid   48 and name   HA) 3.252 1.322 1.322 !13Cnoesy, no=85, id=66, vol=5.741100e+01
assign (resid   49 and name   HA) (resid   49 and name  HB1) 2.217 0.614 0.614 !13Cnoesy, no=86, id=67, vol=5.745000e+01
assign (resid   49 and name   HA) (resid   49 and name  HB2) 2.292 0.657 0.657 !13Cnoesy, no=87, id=68, vol=5.745500e+01
assign (resid   49 and name   HA) (resid   43 and name HD12) 2.845 1.012 1.012 !13Cnoesy, no=89, id=70, vol=5.743700e+01
    or (resid   49 and name   HA) (resid   43 and name HD11)
    or (resid   49 and name   HA) (resid   43 and name HD13)
assign (resid   49 and name  HE1) (resid   29 and name   HA) 3.094 1.197 1.197 !13Cnoesy, no=90, id=71, vol=5.441800e+01
    or (resid   49 and name  HE2) (resid   29 and name   HA)
assign (resid   29 and name   HA) (resid   41 and name   HA) 2.622 0.859 0.859 !13Cnoesy, no=91, id=72, vol=5.440900e+01
assign (resid   29 and name   HA) (resid   29 and name  HB1) 2.541 0.807 0.807 !13Cnoesy, no=92, id=73, vol=5.442500e+01
assign (resid   56 and name   HA) (resid   49 and name  HE1) 3.060 1.171 1.171 !13Cnoesy, no=93, id=74, vol=5.848400e+01
    or (resid   56 and name   HA) (resid   49 and name  HE2)
assign (resid   51 and name   HA) (resid   50 and name  HB1) 2.665 2.665 3.335 !13Cnoesy, no=95, id=76, vol=5.846400e+01
assign (resid   51 and name   HA) (resid   50 and name  HB2) 3.138 3.138 2.862 !13Cnoesy, no=96, id=77, vol=5.841000e+01
assign (resid   56 and name   HA) (resid   62 and name  HG2) 3.233 1.306 1.306 !13Cnoesy, no=97, id=78, vol=5.843200e+01
    or (resid   56 and name   HA) (resid   62 and name  HG1)
assign (resid   56 and name   HA) (resid   62 and name  HB2) 2.847 1.013 1.013 !13Cnoesy, no=98, id=79, vol=5.844200e+01
    or (resid   56 and name   HA) (resid   62 and name  HB1)
assign (resid   51 and name   HA) (resid   52 and name HG21) 2.897 2.897 3.103 !13Cnoesy, no=100, id=81, vol=5.842000e+01
    or (resid   51 and name   HA) (resid   52 and name HG22)
    or (resid   51 and name   HA) (resid   52 and name HG23)
assign (resid   11 and name   HA) (resid   10 and name  HA2) 3.094 1.197 1.197 !13Cnoesy, no=103, id=83, vol=6.406400e+01
    or (resid   11 and name   HA) (resid   10 and name  HA1)
assign (resid   11 and name   HA) (resid   11 and name  HD2) 2.758 0.951 0.951 !13Cnoesy, no=104, id=84, vol=6.406700e+01
    or (resid   11 and name   HA) (resid   11 and name  HD1)
assign (resid   11 and name   HA) (resid   11 and name  HB2) 2.261 0.639 0.639 !13Cnoesy, no=106, id=86, vol=6.407700e+01
assign (resid    7 and name   HA) (resid    7 and name  HB1) 2.227 0.620 0.620 !13Cnoesy, no=108, id=87, vol=5.608200e+01
assign (resid    7 and name   HA) (resid    7 and name  HG2) 2.298 0.660 1.060 !13Cnoesy, no=110, id=89, vol=5.606800e+01
assign (resid   79 and name   HA) (resid   79 and name  HB2) 1.943 0.472 0.472 !13Cnoesy, no=112, id=90, vol=5.507800e+01
    or (resid   79 and name   HA) (resid   79 and name  HB1)
assign (resid   79 and name   HA) (resid   79 and name HD12) 2.000 0.500 0.500 !13Cnoesy, no=113, id=91, vol=5.508000e+01
    or (resid   79 and name   HA) (resid   79 and name HD11)
    or (resid   79 and name   HA) (resid   79 and name HD13)
assign (resid   52 and name   HA) (resid   51 and name  HB1) 3.080 1.186 1.186 !13Cnoesy, no=115, id=92, vol=6.208500e+01
assign (resid   52 and name   HA) (resid   52 and name HG21) 2.052 0.526 0.526 !13Cnoesy, no=116, id=93, vol=6.206500e+01
    or (resid   52 and name   HA) (resid   52 and name HG22)
    or (resid   52 and name   HA) (resid   52 and name HG23)
assign (resid   42 and name  HB1) (resid   42 and name   HA) 2.154 0.580 0.580 !13Cnoesy, no=118, id=95, vol=6.755300e+01
assign (resid   42 and name  HB1) (resid   44 and name  HB2) 3.247 1.318 1.318 !13Cnoesy, no=122, id=98, vol=6.763100e+01
    or (resid   42 and name  HB1) (resid   44 and name  HB1)
    or (resid   42 and name  HB1) (resid   44 and name  HB3)
assign (resid   42 and name  HB1) (resid   43 and name HG22) 3.667 1.681 1.681 !13Cnoesy, no=123, id=99, vol=6.755700e+01
    or (resid   42 and name  HB1) (resid   43 and name HG21)
    or (resid   42 and name  HB1) (resid   43 and name HG23)
assign (resid    4 and name   HA) (resid    4 and name HD12) 2.116 0.560 0.560 !13Cnoesy, no=128, id=102, vol=5.512400e+01
    or (resid    4 and name   HA) (resid    4 and name HD11)
    or (resid    4 and name   HA) (resid    4 and name HD13)
assign (resid   19 and name   HB) (resid   19 and name   HA) 2.156 0.581 0.581 !13Cnoesy, no=129, id=103, vol=7.222000e+01
assign (resid   19 and name   HB) (resid   21 and name   HB) 3.322 1.379 1.379 !13Cnoesy, no=131, id=104, vol=7.217700e+01
assign (resid   61 and name   HB) (resid   62 and name  HB2) 3.098 1.199 1.199 !13Cnoesy, no=137, id=110, vol=6.937900e+01
    or (resid   61 and name   HB) (resid   62 and name  HB1)
assign (resid   61 and name   HB) (resid   61 and name HG21) 1.789 0.400 0.400 !13Cnoesy, no=138, id=111, vol=6.938000e+01
    or (resid   61 and name   HB) (resid   61 and name HG22)
    or (resid   61 and name   HB) (resid   61 and name HG23)
assign (resid   24 and name   HA) (resid   24 and name  HD2) 3.501 1.532 1.532 !13Cnoesy, no=150, id=122, vol=6.258200e+01
assign (resid    5 and name   HA) (resid    6 and name  HA2) 3.209 1.288 1.288 !13Cnoesy, no=151, id=123, vol=5.662400e+01
    or (resid    5 and name   HA) (resid    6 and name  HA1)
assign (resid    5 and name   HA) (resid    5 and name  HG2) 2.271 0.645 0.895 !13Cnoesy, no=152, id=124, vol=5.654400e+01
    or (resid    5 and name   HA) (resid    5 and name  HG1)
assign (resid    5 and name   HA) (resid    5 and name  HB1) 2.045 0.523 0.523 !13Cnoesy, no=153, id=125, vol=5.647600e+01
assign (resid   76 and name   HA) (resid   76 and name  HD2) 2.291 0.656 0.656 !13Cnoesy, no=154, id=126, vol=5.646100e+01
    or (resid   76 and name   HA) (resid   76 and name  HD1)
assign (resid   14 and name  HE1) (resid   45 and name   HA) 2.909 1.057 1.057 !13Cnoesy, no=155, id=127, vol=5.162500e+01
    or (resid   14 and name  HE2) (resid   45 and name   HA)
assign (resid   45 and name   HA) (resid   44 and name  HB2) 2.959 1.095 1.095 !13Cnoesy, no=157, id=128, vol=5.163200e+01
    or (resid   45 and name   HA) (resid   44 and name  HB1)
    or (resid   45 and name   HA) (resid   44 and name  HB3)
assign (resid   45 and name   HA) (resid   28 and name HD12) 3.219 1.295 1.295 !13Cnoesy, no=159, id=130, vol=5.164400e+01
    or (resid   45 and name   HA) (resid   28 and name HD11)
    or (resid   45 and name   HA) (resid   28 and name HD13)
assign (resid   45 and name   HA) (resid   14 and name  HD1) 3.138 1.231 1.231 !13Cnoesy, no=160, id=131, vol=5.158600e+01
    or (resid   45 and name   HA) (resid   14 and name  HD2)
assign (resid   61 and name   HA) (resid   61 and name HG21) 2.066 0.533 0.533 !13Cnoesy, no=165, id=135, vol=6.314400e+01
    or (resid   61 and name   HA) (resid   61 and name HG22)
    or (resid   61 and name   HA) (resid   61 and name HG23)
assign (resid   69 and name   HA) (resid   68 and name HD12) 2.362 0.697 0.697 !13Cnoesy, no=172, id=140, vol=5.386500e+01
    or (resid   69 and name   HA) (resid   68 and name HD11)
    or (resid   69 and name   HA) (resid   68 and name HD13)
assign (resid   17 and name   HA) (resid   17 and name  HB2) 2.244 0.629 0.629 !13Cnoesy, no=175, id=142, vol=6.397600e+01
assign (resid   16 and name   HA) (resid   17 and name   HA) 3.370 1.420 1.420 !13Cnoesy, no=176, id=143, vol=6.401000e+01
assign (resid   70 and name   HA) (resid   26 and name  HD2) 2.743 0.940 0.940 !13Cnoesy, no=180, id=146, vol=6.041500e+01
    or (resid   70 and name   HA) (resid   26 and name  HD1)
assign (resid   70 and name   HA) (resid   26 and name  HB1) 2.374 0.705 1.205 !13Cnoesy, no=181, id=147, vol=6.043000e+01
assign (resid   70 and name   HA) (resid   26 and name  HG2) 2.826 0.999 0.999 !13Cnoesy, no=182, id=148, vol=6.043600e+01
    or (resid   70 and name   HA) (resid   26 and name  HG1)
assign (resid   67 and name   HA) (resid   67 and name  HG2) 2.295 0.658 0.658 !13Cnoesy, no=184, id=150, vol=5.772200e+01
    or (resid   67 and name   HA) (resid   67 and name  HG1)
assign (resid   62 and name   HA) (resid   62 and name  HB2) 1.973 0.487 0.487 !13Cnoesy, no=189, id=154, vol=5.798700e+01
    or (resid   62 and name   HA) (resid   62 and name  HB1)
assign (resid   62 and name   HA) (resid   61 and name HG21) 3.228 1.302 1.302 !13Cnoesy, no=190, id=155, vol=5.802700e+01
    or (resid   62 and name   HA) (resid   61 and name HG22)
    or (resid   62 and name   HA) (resid   61 and name HG23)
assign (resid   14 and name  HE1) (resid   17 and name  HD1) 3.051 1.163 1.163 !13Cnoesy, no=192, id=157, vol=5.138000e+01
    or (resid   14 and name  HE2) (resid   17 and name  HD1)
assign (resid   16 and name   HA) (resid   17 and name  HD1) 2.684 0.900 0.900 !13Cnoesy, no=193, id=158, vol=5.135900e+01
assign (resid   17 and name  HD1) (resid   16 and name  HB1) 3.175 1.260 1.260 !13Cnoesy, no=195, id=160, vol=5.132700e+01
assign (resid   31 and name  HA1) (resid   31 and name  HA2) 2.203 0.607 0.607 !13Cnoesy, no=198, id=162, vol=4.530500e+01
assign (resid    8 and name   HB) (resid   13 and name  HB2) 3.446 3.446 2.844 !13Cnoesy, no=199, id=163, vol=6.986900e+01
    or (resid    8 and name   HB) (resid   13 and name  HB1)
assign (resid    8 and name   HB) (resid    8 and name   HA) 2.018 0.509 0.509 !13Cnoesy, no=200, id=164, vol=6.986900e+01
assign (resid   18 and name  HA1) (resid   18 and name  HA2) 2.155 0.580 0.580 !13Cnoesy, no=205, id=168, vol=4.559200e+01
assign (resid   73 and name   HA) (resid   73 and name  HD2) 2.399 0.719 0.719 !13Cnoesy, no=206, id=169, vol=5.789500e+01
    or (resid   73 and name   HA) (resid   73 and name  HD1)
assign (resid   73 and name   HA) (resid   72 and name HD22) 2.330 0.679 0.679 !13Cnoesy, no=211, id=173, vol=5.806800e+01
    or (resid   73 and name   HA) (resid   72 and name HD21)
    or (resid   73 and name   HA) (resid   72 and name HD23)
assign (resid   43 and name   HA) (resid   47 and name  HB1) 3.510 1.540 1.540 !13Cnoesy, no=217, id=177, vol=6.376700e+01
assign (resid   43 and name   HA) (resid   43 and name HG11) 2.577 2.577 3.423 !13Cnoesy, no=219, id=179, vol=6.376400e+01
assign (resid   43 and name   HA) (resid   46 and name  HA2) 3.769 1.776 1.776 !13Cnoesy, no=222, id=182, vol=6.379500e+01
assign (resid   38 and name  HA1) (resid   38 and name  HA2) 2.403 0.722 0.722 !13Cnoesy, no=223, id=183, vol=4.604400e+01
assign (resid   38 and name  HA1) (resid   33 and name  HB2) 2.859 1.022 1.022 !13Cnoesy, no=224, id=184, vol=4.615400e+01
assign (resid   70 and name  HB1) (resid   67 and name  HG2) 3.175 1.260 1.260 !13Cnoesy, no=247, id=204, vol=6.299700e+01
    or (resid   70 and name  HB1) (resid   67 and name  HG1)
assign (resid   12 and name  HB2) (resid   12 and name   HA) 1.930 0.466 0.466 !13Cnoesy, no=250, id=207, vol=6.251100e+01
    or (resid   12 and name  HB1) (resid   12 and name   HA)
assign (resid   12 and name  HB2) (resid   11 and name  HD2) 3.252 3.252 2.748 !13Cnoesy, no=251, id=208, vol=6.259700e+01
    or (resid   12 and name  HB2) (resid   11 and name  HD1)
    or (resid   12 and name  HB1) (resid   11 and name  HD2)
    or (resid   12 and name  HB1) (resid   11 and name  HD1)
assign (resid   12 and name  HB2) (resid   25 and name  HG2) 2.823 0.996 0.996 !13Cnoesy, no=252, id=209, vol=6.257400e+01
    or (resid   12 and name  HB2) (resid   25 and name  HG1)
    or (resid   12 and name  HB1) (resid   25 and name  HG2)
    or (resid   12 and name  HB1) (resid   25 and name  HG1)
assign (resid   42 and name  HB2) (resid   42 and name   HA) 2.180 2.180 3.820 !13Cnoesy, no=253, id=210, vol=6.755100e+01
assign (resid   42 and name  HB1) (resid   42 and name  HB2) 2.031 0.516 0.516 !13Cnoesy, no=254, id=211, vol=6.755700e+01
assign (resid   42 and name  HB2) (resid   39 and name  HB2) 2.937 1.078 1.078 !13Cnoesy, no=256, id=212, vol=6.756300e+01
    or (resid   42 and name  HB2) (resid   39 and name  HB1)
    or (resid   42 and name  HB2) (resid   39 and name  HB3)
assign (resid   42 and name  HB2) (resid   44 and name  HB2) 3.257 1.326 1.326 !13Cnoesy, no=257, id=213, vol=6.753900e+01
    or (resid   42 and name  HB2) (resid   44 and name  HB1)
    or (resid   42 and name  HB2) (resid   44 and name  HB3)
assign (resid   42 and name  HB2) (resid   43 and name HG22) 3.783 1.789 1.789 !13Cnoesy, no=258, id=214, vol=6.758900e+01
    or (resid   42 and name  HB2) (resid   43 and name HG21)
    or (resid   42 and name  HB2) (resid   43 and name HG23)
assign (resid   70 and name  HB2) (resid   66 and name HG12) 3.008 1.131 1.131 !13Cnoesy, no=259, id=215, vol=6.302200e+01
    or (resid   70 and name  HB2) (resid   66 and name HG11)
    or (resid   70 and name  HB2) (resid   66 and name HG13)
assign (resid   70 and name   HA) (resid   70 and name  HB2) 1.842 0.424 0.424 !13Cnoesy, no=260, id=216, vol=6.301500e+01
assign (resid   70 and name  HB2) (resid   26 and name  HD2) 3.011 1.133 1.133 !13Cnoesy, no=262, id=217, vol=6.299800e+01
    or (resid   70 and name  HB2) (resid   26 and name  HD1)
assign (resid   70 and name  HB2) (resid   26 and name  HB1) 2.798 0.978 1.678 !13Cnoesy, no=263, id=218, vol=6.301500e+01
assign (resid    2 and name  HB1) (resid    3 and name  HE1) 3.454 1.491 1.491 !13Cnoesy, no=266, id=221, vol=6.384500e+01
assign (resid   66 and name   HA) (resid   65 and name  HG1) 2.576 0.830 0.830 !13Cnoesy, no=268, id=223, vol=6.391300e+01
assign (resid   51 and name  HB2) (resid   52 and name HG21) 3.080 1.186 1.186 !13Cnoesy, no=272, id=227, vol=6.377600e+01
    or (resid   51 and name  HB2) (resid   52 and name HG22)
    or (resid   51 and name  HB2) (resid   52 and name HG23)
assign (resid   27 and name  HB1) (resid   27 and name  HE3) 3.294 1.356 1.356 !13Cnoesy, no=277, id=231, vol=2.805300e+01
assign (resid   27 and name  HB1) (resid   27 and name  HD1) 3.545 1.571 1.571 !13Cnoesy, no=278, id=232, vol=2.815200e+01
assign (resid   27 and name  HB1) (resid   27 and name  HB2) 2.725 0.928 0.928 !13Cnoesy, no=279, id=233, vol=2.807000e+01
assign (resid   27 and name  HB1) (resid   23 and name   HB) 3.417 1.460 1.460 !13Cnoesy, no=281, id=235, vol=2.801700e+01
assign (resid   17 and name  HD2) (resid   14 and name  HE1) 3.134 1.228 1.228 !13Cnoesy, no=282, id=236, vol=5.137000e+01
    or (resid   17 and name  HD2) (resid   14 and name  HE2)
assign (resid   16 and name   HA) (resid   17 and name  HD2) 2.658 0.883 0.883 !13Cnoesy, no=283, id=237, vol=5.136000e+01
assign (resid   17 and name  HD1) (resid   17 and name  HD2) 2.575 0.829 0.829 !13Cnoesy, no=284, id=238, vol=5.135600e+01
assign (resid   25 and name   HA) (resid   14 and name  HB1) 3.358 1.409 1.409 !13Cnoesy, no=290, id=243, vol=5.946000e+01
assign (resid   25 and name   HA) (resid   25 and name  HG2) 2.582 0.834 0.834 !13Cnoesy, no=291, id=244, vol=5.946000e+01
    or (resid   25 and name   HA) (resid   25 and name  HG1)
assign (resid   25 and name   HA) (resid   25 and name  HB2) 2.454 0.753 0.753 !13Cnoesy, no=292, id=245, vol=5.946000e+01
assign (resid   25 and name   HA) (resid   28 and name  HB1) 2.428 0.737 2.057 !13Cnoesy, no=293, id=246, vol=5.946000e+01
assign (resid   40 and name   HA) (resid   14 and name  HE1) 3.134 1.228 1.228 !13Cnoesy, no=296, id=249, vol=5.476500e+01
    or (resid   40 and name   HA) (resid   14 and name  HE2)
assign (resid   40 and name   HA) (resid   14 and name  HD1) 3.283 1.347 1.347 !13Cnoesy, no=297, id=250, vol=5.485600e+01
    or (resid   40 and name   HA) (resid   14 and name  HD2)
assign (resid   40 and name   HA) (resid   28 and name   HA) 3.067 1.176 1.176 !13Cnoesy, no=298, id=251, vol=5.481600e+01
assign (resid   40 and name   HA) (resid   40 and name  HB1) 2.562 0.821 0.821 !13Cnoesy, no=300, id=252, vol=5.480600e+01
assign (resid   40 and name   HA) (resid   28 and name   HG) 3.123 1.219 1.219 !13Cnoesy, no=301, id=253, vol=5.486200e+01
assign (resid   35 and name  HB1) (resid   39 and name  HB2) 3.038 1.154 1.154 !13Cnoesy, no=307, id=258, vol=3.793000e+01
    or (resid   35 and name  HB1) (resid   39 and name  HB1)
    or (resid   35 and name  HB1) (resid   39 and name  HB3)
assign (resid   16 and name  HB1) (resid   16 and name  HB2) 2.452 0.751 0.751 !13Cnoesy, no=314, id=262, vol=3.607600e+01
assign (resid   16 and name   HA) (resid   16 and name  HB1) 3.051 1.163 1.163 !13Cnoesy, no=317, id=265, vol=3.609400e+01
assign (resid   10 and name  HA2) (resid   11 and name  HD2) 2.063 0.532 0.532 !13Cnoesy, no=320, id=268, vol=4.971900e+01
    or (resid   10 and name  HA2) (resid   11 and name  HD1)
    or (resid   10 and name  HA1) (resid   11 and name  HD2)
    or (resid   10 and name  HA1) (resid   11 and name  HD1)
assign (resid   38 and name  HA2) (resid   33 and name  HB2) 2.897 1.049 1.049 !13Cnoesy, no=325, id=271, vol=4.612100e+01
assign (resid   38 and name  HA2) (resid   33 and name  HG2) 3.008 1.131 1.131 !13Cnoesy, no=326, id=272, vol=4.605700e+01
assign (resid   13 and name  HB2) (resid    9 and name   HA) 2.828 1.000 1.000 !13Cnoesy, no=327, id=273, vol=6.581600e+01
    or (resid   13 and name  HB1) (resid    9 and name   HA)
assign (resid   24 and name   HA) (resid   13 and name  HB2) 2.915 1.063 1.063 !13Cnoesy, no=328, id=274, vol=6.584400e+01
    or (resid   24 and name   HA) (resid   13 and name  HB1)
assign (resid   13 and name   HA) (resid   13 and name  HB2) 2.230 0.621 0.621 !13Cnoesy, no=330, id=276, vol=6.584100e+01
    or (resid   13 and name   HA) (resid   13 and name  HB1)
assign (resid   22 and name   HA) (resid   13 and name  HB2) 3.563 1.587 1.587 !13Cnoesy, no=336, id=281, vol=6.582500e+01
    or (resid   22 and name   HA) (resid   13 and name  HB1)
assign (resid   22 and name   HA) (resid   15 and name  HB2) 3.278 1.343 1.343 !13Cnoesy, no=337, id=282, vol=6.337500e+01
assign (resid   15 and name  HB2) (resid   15 and name   HA) 2.288 0.655 0.655 !13Cnoesy, no=338, id=283, vol=6.338000e+01
assign (resid   15 and name  HB2) (resid   22 and name  HB2) 3.583 1.604 1.604 !13Cnoesy, no=340, id=284, vol=6.338500e+01
assign (resid   20 and name  HB1) (resid   20 and name  HB2) 2.304 0.663 0.663 !13Cnoesy, no=345, id=287, vol=2.948400e+01
assign (resid   65 and name  HD2) (resid   48 and name HD22) 1.914 0.458 0.458 !13Cnoesy, no=364, id=304, vol=4.333200e+01
    or (resid   65 and name  HD2) (resid   48 and name HD21)
    or (resid   65 and name  HD2) (resid   48 and name HD23)
    or (resid   65 and name  HD1) (resid   48 and name HD22)
    or (resid   65 and name  HD1) (resid   48 and name HD21)
    or (resid   65 and name  HD1) (resid   48 and name HD23)
assign (resid   13 and name  HB2) (resid    9 and name  HB1) 2.678 2.678 3.322 !13Cnoesy, no=366, id=306, vol=3.984900e+01
    or (resid   13 and name  HB1) (resid    9 and name  HB1)
assign (resid    9 and name  HB1) (resid    9 and name  HB2) 2.336 0.682 0.682 !13Cnoesy, no=368, id=307, vol=3.985100e+01
assign (resid   30 and name  HB2) (resid   27 and name   HA) 3.339 1.394 1.394 !13Cnoesy, no=369, id=308, vol=4.200200e+01
assign (resid   20 and name  HB2) (resid   20 and name  HD2) 3.510 1.540 1.540 !13Cnoesy, no=373, id=311, vol=2.951700e+01
assign (resid   24 and name  HD1) (resid   24 and name  HD2) 3.000 3.000 3.000 !13Cnoesy, no=378, id=315, vol=5.014500e+01
assign (resid   37 and name  HB2) (resid   37 and name  HB1) 2.387 0.712 0.712 !13Cnoesy, no=383, id=318, vol=4.072600e+01
assign (resid   29 and name  HB1) (resid   29 and name  HB2) 2.408 0.725 0.725 !13Cnoesy, no=385, id=320, vol=3.432800e+01
assign (resid   29 and name  HB2) (resid   47 and name   HA) 3.283 1.347 1.347 !13Cnoesy, no=386, id=321, vol=3.424800e+01
assign (resid   29 and name  HB2) (resid   66 and name   HB) 3.219 1.295 1.295 !13Cnoesy, no=388, id=322, vol=3.424200e+01
assign (resid   49 and name  HB1) (resid   49 and name  HD1) 2.384 0.711 0.711 !13Cnoesy, no=389, id=323, vol=3.880100e+01
    or (resid   49 and name  HB1) (resid   49 and name  HD2)
assign (resid   49 and name  HE1) (resid   49 and name  HB1) 2.934 2.934 3.066 !13Cnoesy, no=390, id=324, vol=3.878100e+01
    or (resid   49 and name  HE2) (resid   49 and name  HB1)
assign (resid   49 and name  HB1) (resid   43 and name HD12) 3.094 1.197 1.347 !13Cnoesy, no=394, id=327, vol=3.885900e+01
    or (resid   49 and name  HB1) (resid   43 and name HD11)
    or (resid   49 and name  HB1) (resid   43 and name HD13)
assign (resid   27 and name  HB2) (resid   27 and name  HE3) 3.554 1.579 1.579 !13Cnoesy, no=395, id=328, vol=2.805400e+01
assign (resid   27 and name  HB2) (resid   23 and name HG22) 2.997 1.123 1.123 !13Cnoesy, no=399, id=331, vol=2.804000e+01
    or (resid   27 and name  HB2) (resid   23 and name HG21)
    or (resid   27 and name  HB2) (resid   23 and name HG23)
assign (resid   35 and name  HB1) (resid   35 and name  HB2) 2.337 0.683 0.683 !13Cnoesy, no=402, id=334, vol=3.792000e+01
assign (resid   47 and name  HB1) (resid   29 and name  HB1) 3.166 3.166 2.834 !13Cnoesy, no=405, id=336, vol=3.422700e+01
assign (resid   14 and name  HD1) (resid   14 and name  HB1) 3.026 1.145 1.145 !13Cnoesy, no=408, id=338, vol=4.327900e+01
    or (resid   14 and name  HD2) (resid   14 and name  HB1)
assign (resid   14 and name  HB1) (resid   14 and name   HA) 2.906 1.056 1.056 !13Cnoesy, no=410, id=340, vol=4.319000e+01
assign (resid   14 and name  HB1) (resid   28 and name HD22) 3.223 1.299 1.299 !13Cnoesy, no=412, id=342, vol=4.322800e+01
    or (resid   14 and name  HB1) (resid   28 and name HD21)
    or (resid   14 and name  HB1) (resid   28 and name HD23)
assign (resid   14 and name  HB1) (resid   23 and name HG12) 3.051 1.163 1.163 !13Cnoesy, no=413, id=343, vol=4.320900e+01
    or (resid   14 and name  HB1) (resid   23 and name HG11)
    or (resid   14 and name  HB1) (resid   23 and name HG13)
assign (resid   14 and name  HD1) (resid   14 and name  HB2) 3.054 1.166 1.166 !13Cnoesy, no=415, id=345, vol=4.328900e+01
    or (resid   14 and name  HD2) (resid   14 and name  HB2)
assign (resid   14 and name  HB2) (resid   28 and name HD22) 3.257 1.326 1.326 !13Cnoesy, no=416, id=346, vol=4.326200e+01
    or (resid   14 and name  HB2) (resid   28 and name HD21)
    or (resid   14 and name  HB2) (resid   28 and name HD23)
assign (resid   49 and name  HD1) (resid   49 and name  HB2) 2.382 0.709 0.709 !13Cnoesy, no=417, id=347, vol=3.878900e+01
    or (resid   49 and name  HD2) (resid   49 and name  HB2)
assign (resid   49 and name  HB2) (resid   49 and name  HE1) 2.925 2.925 3.075 !13Cnoesy, no=418, id=348, vol=3.879300e+01
    or (resid   49 and name  HB2) (resid   49 and name  HE2)
assign (resid   49 and name  HB1) (resid   49 and name  HB2) 1.969 0.485 0.485 !13Cnoesy, no=420, id=350, vol=3.880000e+01
assign (resid   16 and name  HB2) (resid   16 and name   HA) 2.972 1.104 1.104 !13Cnoesy, no=424, id=353, vol=3.608300e+01
assign (resid    3 and name  HE1) (resid    3 and name  HD2) 2.488 0.774 0.774 !13Cnoesy, no=429, id=357, vol=4.155900e+01
    or (resid    3 and name  HE1) (resid    3 and name  HD1)
assign (resid   50 and name  HB1) (resid   50 and name   HA) 2.246 0.631 0.631 !13Cnoesy, no=431, id=359, vol=3.890600e+01
assign (resid   50 and name  HB1) (resid   50 and name  HB2) 1.698 0.360 0.360 !13Cnoesy, no=433, id=360, vol=3.888300e+01
assign (resid   50 and name  HB1) (resid   43 and name HD12) 3.273 1.339 1.539 !13Cnoesy, no=434, id=361, vol=3.893100e+01
    or (resid   50 and name  HB1) (resid   43 and name HD11)
    or (resid   50 and name  HB1) (resid   43 and name HD13)
assign (resid   13 and name  HB2) (resid    9 and name  HB2) 2.725 2.725 3.275 !13Cnoesy, no=440, id=366, vol=3.984000e+01
    or (resid   13 and name  HB1) (resid    9 and name  HB2)
assign (resid   34 and name  HB2) (resid   34 and name  HB1) 2.774 0.962 0.962 !13Cnoesy, no=441, id=367, vol=4.344600e+01
assign (resid   34 and name  HB2) (resid   23 and name HG22) 3.029 1.147 1.147 !13Cnoesy, no=444, id=369, vol=4.347400e+01
    or (resid   34 and name  HB2) (resid   23 and name HG21)
    or (resid   34 and name  HB2) (resid   23 and name HG23)
assign (resid   50 and name  HB2) (resid   50 and name   HA) 2.243 2.243 3.757 !13Cnoesy, no=447, id=372, vol=3.890500e+01
assign (resid   41 and name  HB1) (resid   41 and name  HG1) 3.023 1.142 1.142 !13Cnoesy, no=453, id=377, vol=3.069100e+01
assign (resid   41 and name  HB1) (resid   41 and name  HB2) 2.708 0.917 0.917 !13Cnoesy, no=456, id=379, vol=3.067700e+01
assign (resid   30 and name  HB2) (resid   30 and name  HB1) 2.479 0.768 0.768 !13Cnoesy, no=461, id=384, vol=4.190400e+01
assign (resid   11 and name   HA) (resid   11 and name  HB1) 2.128 0.566 0.566 !13Cnoesy, no=464, id=386, vol=3.209200e+01
assign (resid   11 and name  HD2) (resid   11 and name  HB1) 2.556 0.817 0.817 !13Cnoesy, no=465, id=387, vol=3.209000e+01
    or (resid   11 and name  HD1) (resid   11 and name  HB1)
assign (resid   32 and name  HB2) (resid   32 and name   HA) 2.640 0.871 0.871 !13Cnoesy, no=468, id=389, vol=4.228700e+01
assign (resid   62 and name   HA) (resid   62 and name  HG2) 2.107 0.555 0.555 !13Cnoesy, no=470, id=390, vol=3.614200e+01
    or (resid   62 and name   HA) (resid   62 and name  HG1)
assign (resid   62 and name  HG2) (resid   48 and name HD22) 2.666 0.889 0.889 !13Cnoesy, no=475, id=394, vol=3.636000e+01
    or (resid   62 and name  HG2) (resid   48 and name HD21)
    or (resid   62 and name  HG2) (resid   48 and name HD23)
    or (resid   62 and name  HG1) (resid   48 and name HD22)
    or (resid   62 and name  HG1) (resid   48 and name HD21)
    or (resid   62 and name  HG1) (resid   48 and name HD23)
assign (resid   23 and name   HB) (resid   27 and name  HE3) 3.067 1.176 1.176 !13Cnoesy, no=481, id=399, vol=3.415100e+01
assign (resid   23 and name   HB) (resid   14 and name  HD1) 3.108 3.108 2.892 !13Cnoesy, no=482, id=400, vol=3.405600e+01
    or (resid   23 and name   HB) (resid   14 and name  HD2)
assign (resid   23 and name   HB) (resid   23 and name   HA) 2.750 0.946 0.946 !13Cnoesy, no=483, id=401, vol=3.407800e+01
assign (resid   23 and name   HB) (resid   24 and name  HD1) 3.023 1.142 1.142 !13Cnoesy, no=484, id=402, vol=3.406100e+01
assign (resid   23 and name   HB) (resid   24 and name  HD2) 3.158 1.247 1.247 !13Cnoesy, no=486, id=404, vol=3.415800e+01
assign (resid   16 and name   HA) (resid   17 and name  HG1) 3.131 1.225 1.225 !13Cnoesy, no=488, id=406, vol=2.755000e+01
assign (resid   17 and name  HD1) (resid   17 and name  HG1) 2.476 0.766 0.766 !13Cnoesy, no=489, id=407, vol=2.755000e+01
assign (resid   17 and name  HD2) (resid   17 and name  HG1) 2.711 0.919 0.919 !13Cnoesy, no=490, id=408, vol=2.755400e+01
assign (resid   17 and name  HG1) (resid   17 and name  HG2) 2.106 0.554 0.554 !13Cnoesy, no=492, id=409, vol=2.754500e+01
assign (resid   66 and name   HB) (resid   63 and name   HA) 2.445 0.748 0.748 !13Cnoesy, no=493, id=410, vol=3.231800e+01
assign (resid   66 and name   HB) (resid   66 and name   HA) 2.330 0.678 0.678 !13Cnoesy, no=494, id=411, vol=3.231200e+01
assign (resid   66 and name   HB) (resid   65 and name  HG1) 3.257 1.326 1.326 !13Cnoesy, no=496, id=412, vol=3.218100e+01
assign (resid   47 and name  HB1) (resid   47 and name  HB2) 2.283 0.651 0.651 !13Cnoesy, no=500, id=416, vol=3.419400e+01
assign (resid   63 and name   HA) (resid   63 and name  HB2) 1.908 0.455 0.455 !13Cnoesy, no=505, id=419, vol=2.981700e+01
    or (resid   63 and name   HA) (resid   63 and name  HB1)
assign (resid   63 and name  HB2) (resid   67 and name  HG2) 2.861 1.023 1.023 !13Cnoesy, no=506, id=420, vol=2.981500e+01
    or (resid   63 and name  HB2) (resid   67 and name  HG1)
    or (resid   63 and name  HB1) (resid   67 and name  HG2)
    or (resid   63 and name  HB1) (resid   67 and name  HG1)
assign (resid   63 and name  HB2) (resid   67 and name  HD2) 3.158 1.247 1.247 !13Cnoesy, no=512, id=425, vol=2.974800e+01
    or (resid   63 and name  HB2) (resid   67 and name  HD1)
    or (resid   63 and name  HB1) (resid   67 and name  HD2)
    or (resid   63 and name  HB1) (resid   67 and name  HD1)
assign (resid   11 and name   HA) (resid   11 and name  HG2) 2.399 2.399 3.601 !13Cnoesy, no=513, id=426, vol=2.732400e+01
    or (resid   11 and name   HA) (resid   11 and name  HG1)
assign (resid   10 and name  HA2) (resid   11 and name  HG2) 2.605 2.605 3.395 !13Cnoesy, no=514, id=427, vol=2.732400e+01
    or (resid   10 and name  HA2) (resid   11 and name  HG1)
    or (resid   10 and name  HA1) (resid   11 and name  HG2)
    or (resid   10 and name  HA1) (resid   11 and name  HG1)
assign (resid   11 and name  HB1) (resid   11 and name  HG2) 2.104 0.553 0.553 !13Cnoesy, no=516, id=429, vol=2.732100e+01
    or (resid   11 and name  HB1) (resid   11 and name  HG1)
assign (resid   17 and name  HB2) (resid   17 and name  HD2) 2.930 1.073 1.073 !13Cnoesy, no=521, id=433, vol=3.211500e+01
assign (resid   11 and name  HB2) (resid   11 and name  HD2) 2.477 2.477 3.523 !13Cnoesy, no=522, id=434, vol=3.209800e+01
    or (resid   11 and name  HB2) (resid   11 and name  HD1)
assign (resid   17 and name  HB2) (resid   44 and name  HB2) 3.592 1.613 1.613 !13Cnoesy, no=524, id=436, vol=3.212600e+01
    or (resid   17 and name  HB2) (resid   44 and name  HB1)
    or (resid   17 and name  HB2) (resid   44 and name  HB3)
assign (resid   17 and name  HG2) (resid   14 and name  HE1) 3.493 1.525 1.525 !13Cnoesy, no=525, id=437, vol=2.753800e+01
    or (resid   17 and name  HG2) (resid   14 and name  HE2)
assign (resid   16 and name   HA) (resid   17 and name  HG2) 3.138 1.231 1.231 !13Cnoesy, no=526, id=438, vol=2.753900e+01
assign (resid   17 and name  HD1) (resid   17 and name  HG2) 2.462 0.758 0.758 !13Cnoesy, no=527, id=439, vol=2.754700e+01
assign (resid   17 and name  HG2) (resid   17 and name  HD2) 2.815 0.991 0.991 !13Cnoesy, no=528, id=440, vol=2.755700e+01
assign (resid   16 and name  HB1) (resid   21 and name   HB) 3.057 3.057 2.943 !13Cnoesy, no=531, id=442, vol=3.354600e+01
assign (resid   21 and name   HA) (resid   21 and name   HB) 2.821 0.995 0.995 !13Cnoesy, no=533, id=443, vol=3.345000e+01
assign (resid   16 and name  HB2) (resid   21 and name   HB) 2.915 2.915 3.085 !13Cnoesy, no=534, id=444, vol=3.349500e+01
assign (resid   26 and name  HB1) (resid   27 and name  HD1) 3.603 1.622 1.622 !13Cnoesy, no=536, id=446, vol=2.943200e+01
assign (resid   25 and name  HB2) (resid   25 and name  HG2) 2.098 0.550 0.550 !13Cnoesy, no=538, id=448, vol=2.920400e+01
    or (resid   25 and name  HB2) (resid   25 and name  HG1)
assign (resid   25 and name  HB2) (resid   28 and name HD22) 2.870 1.029 1.029 !13Cnoesy, no=540, id=449, vol=2.921100e+01
    or (resid   25 and name  HB2) (resid   28 and name HD21)
    or (resid   25 and name  HB2) (resid   28 and name HD23)
assign (resid   26 and name  HD2) (resid   26 and name  HB1) 2.694 0.908 0.908 !13Cnoesy, no=542, id=451, vol=2.947300e+01
    or (resid   26 and name  HD1) (resid   26 and name  HB1)
assign (resid   43 and name   HA) (resid   43 and name   HB) 2.144 0.575 0.575 !13Cnoesy, no=545, id=454, vol=3.805000e+01
assign (resid   43 and name   HB) (resid   43 and name HG11) 2.247 0.631 0.631 !13Cnoesy, no=547, id=455, vol=3.808100e+01
assign (resid   41 and name  HB1) (resid   41 and name  HG2) 3.041 1.156 1.156 !13Cnoesy, no=551, id=459, vol=3.680700e+01
assign (resid   73 and name  HB2) (resid   24 and name  HB2) 2.740 0.938 0.938 !13Cnoesy, no=555, id=462, vol=3.048500e+01
    or (resid   73 and name  HB1) (resid   24 and name  HB2)
assign (resid   28 and name  HB1) (resid   28 and name   HA) 2.840 1.008 1.008 !13Cnoesy, no=562, id=468, vol=4.022100e+01
assign (resid   28 and name  HB1) (resid   45 and name  HB2) 3.219 1.295 1.295 !13Cnoesy, no=565, id=470, vol=4.019900e+01
    or (resid   28 and name  HB1) (resid   45 and name  HB1)
    or (resid   28 and name  HB1) (resid   45 and name  HB3)
assign (resid   28 and name  HB1) (resid   28 and name HD22) 2.599 0.845 0.845 !13Cnoesy, no=566, id=471, vol=4.019600e+01
    or (resid   28 and name  HB1) (resid   28 and name HD21)
    or (resid   28 and name  HB1) (resid   28 and name HD23)
assign (resid   28 and name  HB1) (resid   28 and name HD12) 2.801 0.981 0.981 !13Cnoesy, no=567, id=472, vol=4.021700e+01
    or (resid   28 and name  HB1) (resid   28 and name HD11)
    or (resid   28 and name  HB1) (resid   28 and name HD13)
assign (resid   14 and name  HE1) (resid   39 and name  HB2) 2.249 0.632 0.632 !13Cnoesy, no=568, id=473, vol=1.987300e+01
    or (resid   14 and name  HE1) (resid   39 and name  HB1)
    or (resid   14 and name  HE1) (resid   39 and name  HB3)
    or (resid   14 and name  HE2) (resid   39 and name  HB2)
    or (resid   14 and name  HE2) (resid   39 and name  HB1)
    or (resid   14 and name  HE2) (resid   39 and name  HB3)
assign (resid   14 and name   HZ) (resid   39 and name  HB2) 2.366 0.700 0.700 !13Cnoesy, no=569, id=474, vol=1.987100e+01
    or (resid   14 and name   HZ) (resid   39 and name  HB1)
    or (resid   14 and name   HZ) (resid   39 and name  HB3)
assign (resid   39 and name  HB2) (resid   35 and name   HA) 3.527 1.555 1.555 !13Cnoesy, no=570, id=475, vol=1.987000e+01
    or (resid   39 and name  HB1) (resid   35 and name   HA)
    or (resid   39 and name  HB3) (resid   35 and name   HA)
assign (resid   16 and name   HA) (resid   39 and name  HB2) 2.431 2.431 3.569 !13Cnoesy, no=571, id=476, vol=1.986500e+01
    or (resid   16 and name   HA) (resid   39 and name  HB1)
    or (resid   16 and name   HA) (resid   39 and name  HB3)
assign (resid   39 and name  HB2) (resid   39 and name   HA) 1.932 0.466 0.466 !13Cnoesy, no=572, id=477, vol=1.986900e+01
    or (resid   39 and name  HB1) (resid   39 and name   HA)
    or (resid   39 and name  HB3) (resid   39 and name   HA)
assign (resid   17 and name  HD2) (resid   39 and name  HB2) 2.237 0.625 0.625 !13Cnoesy, no=573, id=478, vol=1.987500e+01
    or (resid   17 and name  HD2) (resid   39 and name  HB1)
    or (resid   17 and name  HD2) (resid   39 and name  HB3)
assign (resid   35 and name  HB2) (resid   39 and name  HB2) 2.630 0.864 0.864 !13Cnoesy, no=575, id=480, vol=1.987600e+01
    or (resid   35 and name  HB2) (resid   39 and name  HB1)
    or (resid   35 and name  HB2) (resid   39 and name  HB3)
assign (resid   39 and name  HB2) (resid   44 and name  HB2) 2.492 0.777 0.777 !13Cnoesy, no=578, id=482, vol=1.987000e+01
    or (resid   39 and name  HB2) (resid   44 and name  HB1)
    or (resid   39 and name  HB2) (resid   44 and name  HB3)
    or (resid   39 and name  HB1) (resid   44 and name  HB2)
    or (resid   39 and name  HB1) (resid   44 and name  HB1)
    or (resid   39 and name  HB1) (resid   44 and name  HB3)
    or (resid   39 and name  HB3) (resid   44 and name  HB2)
    or (resid   39 and name  HB3) (resid   44 and name  HB1)
    or (resid   39 and name  HB3) (resid   44 and name  HB3)
assign (resid   39 and name  HB2) (resid   28 and name HD12) 3.634 1.651 1.651 !13Cnoesy, no=582, id=486, vol=1.985200e+01
    or (resid   39 and name  HB2) (resid   28 and name HD11)
    or (resid   39 and name  HB2) (resid   28 and name HD13)
    or (resid   39 and name  HB1) (resid   28 and name HD12)
    or (resid   39 and name  HB1) (resid   28 and name HD11)
    or (resid   39 and name  HB1) (resid   28 and name HD13)
    or (resid   39 and name  HB3) (resid   28 and name HD12)
    or (resid   39 and name  HB3) (resid   28 and name HD11)
    or (resid   39 and name  HB3) (resid   28 and name HD13)
assign (resid   26 and name  HB2) (resid   26 and name  HD2) 2.732 0.933 0.933 !13Cnoesy, no=583, id=487, vol=2.946900e+01
    or (resid   26 and name  HB2) (resid   26 and name  HD1)
assign (resid   26 and name  HB2) (resid   26 and name  HG2) 2.608 0.850 0.850 !13Cnoesy, no=584, id=488, vol=2.947500e+01
    or (resid   26 and name  HB2) (resid   26 and name  HG1)
assign (resid   26 and name  HB2) (resid   27 and name  HD1) 3.573 1.596 1.596 !13Cnoesy, no=585, id=489, vol=2.943300e+01
assign (resid   28 and name   HG) (resid   28 and name   HA) 3.087 1.191 1.191 !13Cnoesy, no=587, id=491, vol=2.675700e+01
assign (resid   25 and name   HA) (resid   28 and name   HG) 2.574 2.574 3.426 !13Cnoesy, no=588, id=492, vol=2.675300e+01
assign (resid   28 and name   HG) (resid   25 and name  HG2) 3.592 1.613 1.613 !13Cnoesy, no=589, id=493, vol=2.680900e+01
    or (resid   28 and name   HG) (resid   25 and name  HG1)
assign (resid   28 and name   HG) (resid   28 and name  HB2) 2.808 0.986 0.986 !13Cnoesy, no=591, id=494, vol=2.678400e+01
assign (resid   28 and name   HG) (resid   28 and name HD22) 2.554 0.815 0.815 !13Cnoesy, no=593, id=496, vol=2.679800e+01
    or (resid   28 and name   HG) (resid   28 and name HD21)
    or (resid   28 and name   HG) (resid   28 and name HD23)
assign (resid   28 and name   HG) (resid   28 and name HD12) 2.592 0.840 0.840 !13Cnoesy, no=594, id=497, vol=2.676700e+01
    or (resid   28 and name   HG) (resid   28 and name HD11)
    or (resid   28 and name   HG) (resid   28 and name HD13)
assign (resid   77 and name  HB1) (resid   77 and name   HA) 2.270 0.644 0.644 !13Cnoesy, no=596, id=499, vol=3.295400e+01
assign (resid   76 and name  HG1) (resid   76 and name   HA) 2.064 0.533 1.133 !13Cnoesy, no=599, id=502, vol=2.743500e+01
assign (resid   73 and name  HG1) (resid   24 and name  HB2) 3.187 1.270 1.270 !13Cnoesy, no=602, id=505, vol=2.752100e+01
assign (resid    3 and name  HB2) (resid    3 and name   HA) 2.327 0.677 0.677 !13Cnoesy, no=603, id=506, vol=3.295400e+01
assign (resid   77 and name  HB2) (resid   77 and name  HE1) 3.390 1.436 1.436 !13Cnoesy, no=604, id=507, vol=3.295400e+01
assign (resid   41 and name  HB2) (resid   33 and name   HA) 3.142 1.234 1.234 !13Cnoesy, no=609, id=512, vol=3.066100e+01
assign (resid   41 and name  HG2) (resid   41 and name  HB2) 2.244 0.629 0.629 !13Cnoesy, no=612, id=515, vol=3.065600e+01
assign (resid   41 and name  HB2) (resid   41 and name  HG1) 2.891 1.045 1.045 !13Cnoesy, no=615, id=517, vol=3.066000e+01
assign (resid   41 and name  HB2) (resid   33 and name  HG2) 3.410 1.454 1.454 !13Cnoesy, no=616, id=518, vol=3.067600e+01
assign (resid   38 and name  HA1) (resid   33 and name  HG1) 3.134 1.228 1.228 !13Cnoesy, no=622, id=524, vol=2.567000e+01
assign (resid   33 and name  HG1) (resid   38 and name  HA2) 3.170 1.256 1.256 !13Cnoesy, no=623, id=525, vol=2.567000e+01
assign (resid   33 and name  HG1) (resid   33 and name  HE2) 2.975 1.106 1.106 !13Cnoesy, no=624, id=526, vol=2.566000e+01
    or (resid   33 and name  HG1) (resid   33 and name  HE1)
assign (resid   33 and name  HB1) (resid   33 and name  HG1) 2.610 0.851 0.851 !13Cnoesy, no=625, id=527, vol=2.565100e+01
assign (resid   33 and name  HG1) (resid   33 and name   HA) 2.867 1.028 1.028 !13Cnoesy, no=627, id=528, vol=2.562300e+01
assign (resid   80 and name   HA) (resid   80 and name  HB2) 2.077 0.539 0.539 !13Cnoesy, no=630, id=531, vol=4.351900e+01
    or (resid   80 and name   HA) (resid   80 and name  HB1)
assign (resid   64 and name  HB2) (resid   61 and name HG21) 3.200 1.280 1.280 !13Cnoesy, no=636, id=536, vol=4.207300e+01
    or (resid   64 and name  HB2) (resid   61 and name HG22)
    or (resid   64 and name  HB2) (resid   61 and name HG23)
assign (resid    3 and name  HD2) (resid   34 and name  HB2) 2.520 2.520 3.480 !13Cnoesy, no=639, id=539, vol=2.902400e+01
    or (resid    3 and name  HD1) (resid   34 and name  HB2)
assign (resid   43 and name HG11) (resid   43 and name HG12) 1.808 0.409 0.409 !13Cnoesy, no=642, id=542, vol=2.846600e+01
assign (resid   44 and name  HB2) (resid   14 and name  HE1) 2.636 2.636 3.364 !13Cnoesy, no=644, id=544, vol=1.824000e+01
    or (resid   44 and name  HB2) (resid   14 and name  HE2)
    or (resid   44 and name  HB1) (resid   14 and name  HE1)
    or (resid   44 and name  HB1) (resid   14 and name  HE2)
    or (resid   44 and name  HB3) (resid   14 and name  HE1)
    or (resid   44 and name  HB3) (resid   14 and name  HE2)
assign (resid   44 and name   HA) (resid   44 and name  HB2) 1.671 0.349 0.349 !13Cnoesy, no=645, id=545, vol=1.824000e+01
    or (resid   44 and name   HA) (resid   44 and name  HB1)
    or (resid   44 and name   HA) (resid   44 and name  HB3)
assign (resid   44 and name  HB2) (resid   45 and name  HB2) 2.571 2.571 3.429 !13Cnoesy, no=648, id=547, vol=1.824700e+01
    or (resid   44 and name  HB2) (resid   45 and name  HB1)
    or (resid   44 and name  HB2) (resid   45 and name  HB3)
    or (resid   44 and name  HB1) (resid   45 and name  HB2)
    or (resid   44 and name  HB1) (resid   45 and name  HB1)
    or (resid   44 and name  HB1) (resid   45 and name  HB3)
    or (resid   44 and name  HB3) (resid   45 and name  HB2)
    or (resid   44 and name  HB3) (resid   45 and name  HB1)
    or (resid   44 and name  HB3) (resid   45 and name  HB3)
assign (resid   44 and name  HB2) (resid   14 and name   HZ) 2.541 0.807 0.807 !13Cnoesy, no=649, id=548, vol=1.824400e+01
    or (resid   44 and name  HB1) (resid   14 and name   HZ)
    or (resid   44 and name  HB3) (resid   14 and name   HZ)
assign (resid   44 and name  HB2) (resid   43 and name HG22) 2.439 2.439 3.561 !13Cnoesy, no=652, id=551, vol=1.824000e+01
    or (resid   44 and name  HB2) (resid   43 and name HG21)
    or (resid   44 and name  HB2) (resid   43 and name HG23)
    or (resid   44 and name  HB1) (resid   43 and name HG22)
    or (resid   44 and name  HB1) (resid   43 and name HG21)
    or (resid   44 and name  HB1) (resid   43 and name HG23)
    or (resid   44 and name  HB3) (resid   43 and name HG22)
    or (resid   44 and name  HB3) (resid   43 and name HG21)
    or (resid   44 and name  HB3) (resid   43 and name HG23)
assign (resid   26 and name  HG2) (resid   27 and name  HD1) 2.932 1.075 1.075 !13Cnoesy, no=653, id=552, vol=2.714800e+01
    or (resid   26 and name  HG1) (resid   27 and name  HD1)
assign (resid   28 and name  HB1) (resid   28 and name  HB2) 2.421 0.732 0.732 !13Cnoesy, no=660, id=557, vol=4.021700e+01
assign (resid   28 and name  HB2) (resid   45 and name  HB2) 3.273 1.339 1.339 !13Cnoesy, no=661, id=558, vol=4.022900e+01
    or (resid   28 and name  HB2) (resid   45 and name  HB1)
    or (resid   28 and name  HB2) (resid   45 and name  HB3)
assign (resid   36 and name  HB2) (resid   35 and name   HA) 3.108 1.208 1.208 !13Cnoesy, no=663, id=560, vol=1.806200e+01
    or (resid   36 and name  HB1) (resid   35 and name   HA)
    or (resid   36 and name  HB3) (resid   35 and name   HA)
assign (resid   37 and name   HA) (resid   36 and name  HB2) 2.855 2.855 3.145 !13Cnoesy, no=664, id=561, vol=1.806200e+01
    or (resid   37 and name   HA) (resid   36 and name  HB1)
    or (resid   37 and name   HA) (resid   36 and name  HB3)
assign (resid   36 and name  HB2) (resid   36 and name   HA) 1.686 0.355 0.355 !13Cnoesy, no=665, id=562, vol=1.805900e+01
    or (resid   36 and name  HB1) (resid   36 and name   HA)
    or (resid   36 and name  HB3) (resid   36 and name   HA)
assign (resid   36 and name  HB2) (resid   37 and name  HB2) 3.200 1.280 1.280 !13Cnoesy, no=667, id=564, vol=1.805100e+01
    or (resid   36 and name  HB1) (resid   37 and name  HB2)
    or (resid   36 and name  HB3) (resid   37 and name  HB2)
assign (resid   36 and name  HB2) (resid   37 and name  HB1) 3.219 3.219 2.781 !13Cnoesy, no=669, id=566, vol=1.805200e+01
    or (resid   36 and name  HB1) (resid   37 and name  HB1)
    or (resid   36 and name  HB3) (resid   37 and name  HB1)
assign (resid   36 and name  HB2) (resid   19 and name HG21) 2.289 0.655 0.655 !13Cnoesy, no=671, id=567, vol=1.806000e+01
    or (resid   36 and name  HB2) (resid   19 and name HG22)
    or (resid   36 and name  HB2) (resid   19 and name HG23)
    or (resid   36 and name  HB1) (resid   19 and name HG21)
    or (resid   36 and name  HB1) (resid   19 and name HG22)
    or (resid   36 and name  HB1) (resid   19 and name HG23)
    or (resid   36 and name  HB3) (resid   19 and name HG21)
    or (resid   36 and name  HB3) (resid   19 and name HG22)
    or (resid   36 and name  HB3) (resid   19 and name HG23)
assign (resid   69 and name  HB2) (resid   71 and name  HE1) 2.843 1.011 2.461 !13Cnoesy, no=672, id=568, vol=1.857200e+01
    or (resid   69 and name  HB1) (resid   71 and name  HE1)
    or (resid   69 and name  HB3) (resid   71 and name  HE1)
assign (resid   69 and name   HA) (resid   69 and name  HB2) 1.666 0.347 0.347 !13Cnoesy, no=673, id=569, vol=1.858500e+01
    or (resid   69 and name   HA) (resid   69 and name  HB1)
    or (resid   69 and name   HA) (resid   69 and name  HB3)
assign (resid   69 and name  HB2) (resid   66 and name   HA) 2.022 0.511 1.211 !13Cnoesy, no=674, id=570, vol=1.858900e+01
    or (resid   69 and name  HB1) (resid   66 and name   HA)
    or (resid   69 and name  HB3) (resid   66 and name   HA)
assign (resid   69 and name  HB2) (resid   26 and name  HD2) 2.711 0.919 1.119 !13Cnoesy, no=675, id=571, vol=1.856700e+01
    or (resid   69 and name  HB2) (resid   26 and name  HD1)
    or (resid   69 and name  HB1) (resid   26 and name  HD2)
    or (resid   69 and name  HB1) (resid   26 and name  HD1)
    or (resid   69 and name  HB3) (resid   26 and name  HD2)
    or (resid   69 and name  HB3) (resid   26 and name  HD1)
assign (resid   69 and name  HB2) (resid   68 and name HD12) 2.017 2.017 3.983 !13Cnoesy, no=677, id=572, vol=1.856500e+01
    or (resid   69 and name  HB2) (resid   68 and name HD11)
    or (resid   69 and name  HB2) (resid   68 and name HD13)
    or (resid   69 and name  HB1) (resid   68 and name HD12)
    or (resid   69 and name  HB1) (resid   68 and name HD11)
    or (resid   69 and name  HB1) (resid   68 and name HD13)
    or (resid   69 and name  HB3) (resid   68 and name HD12)
    or (resid   69 and name  HB3) (resid   68 and name HD11)
    or (resid   69 and name  HB3) (resid   68 and name HD13)
assign (resid   77 and name  HG1) (resid   77 and name  HE2) 2.986 1.114 1.114 !13Cnoesy, no=682, id=576, vol=2.490300e+01
assign (resid    7 and name  HG1) (resid    7 and name  HE2) 2.722 0.926 0.926 !13Cnoesy, no=686, id=580, vol=2.480100e+01
assign (resid    7 and name  HG2) (resid    7 and name  HE2) 2.786 0.970 0.970 !13Cnoesy, no=688, id=582, vol=2.477900e+01
assign (resid    3 and name  HG2) (resid    3 and name  HD2) 1.928 0.464 0.464 !13Cnoesy, no=689, id=583, vol=2.475000e+01
    or (resid    3 and name  HG2) (resid    3 and name  HD1)
assign (resid   43 and name HG12) (resid   48 and name   HA) 3.142 3.142 2.858 !13Cnoesy, no=692, id=586, vol=2.853000e+01
assign (resid   43 and name   HA) (resid   43 and name HG12) 2.599 0.845 0.945 !13Cnoesy, no=693, id=587, vol=2.845000e+01
assign (resid   43 and name   HB) (resid   43 and name HG12) 2.350 0.690 0.690 !13Cnoesy, no=694, id=588, vol=2.845100e+01
assign (resid   65 and name  HD2) (resid   61 and name HG21) 2.630 2.630 3.370 !13Cnoesy, no=701, id=594, vol=2.187500e+01
    or (resid   65 and name  HD2) (resid   61 and name HG22)
    or (resid   65 and name  HD2) (resid   61 and name HG23)
    or (resid   65 and name  HD1) (resid   61 and name HG21)
    or (resid   65 and name  HD1) (resid   61 and name HG22)
    or (resid   65 and name  HD1) (resid   61 and name HG23)
assign (resid   62 and name  HB2) (resid   61 and name HG21) 2.851 2.851 3.149 !13Cnoesy, no=703, id=596, vol=2.184700e+01
    or (resid   62 and name  HB2) (resid   61 and name HG22)
    or (resid   62 and name  HB2) (resid   61 and name HG23)
    or (resid   62 and name  HB1) (resid   61 and name HG21)
    or (resid   62 and name  HB1) (resid   61 and name HG22)
    or (resid   62 and name  HB1) (resid   61 and name HG23)
assign (resid   61 and name HG21) (resid   64 and name HD22) 2.020 0.510 0.610 !13Cnoesy, no=706, id=598, vol=2.186100e+01
    or (resid   61 and name HG21) (resid   64 and name HD21)
    or (resid   61 and name HG21) (resid   64 and name HD23)
    or (resid   61 and name HG22) (resid   64 and name HD22)
    or (resid   61 and name HG22) (resid   64 and name HD21)
    or (resid   61 and name HG22) (resid   64 and name HD23)
    or (resid   61 and name HG23) (resid   64 and name HD22)
    or (resid   61 and name HG23) (resid   64 and name HD21)
    or (resid   61 and name HG23) (resid   64 and name HD23)
assign (resid   24 and name  HB2) (resid   23 and name   HA) 3.518 1.547 1.547 !13Cnoesy, no=707, id=599, vol=3.224100e+01
assign (resid   24 and name   HA) (resid   24 and name  HB2) 2.596 0.843 0.843 !13Cnoesy, no=708, id=600, vol=3.225100e+01
assign (resid   24 and name  HB2) (resid   24 and name  HD1) 3.262 1.330 1.330 !13Cnoesy, no=709, id=601, vol=3.225800e+01
assign (resid   24 and name  HB2) (resid   24 and name  HD2) 3.377 1.425 1.425 !13Cnoesy, no=710, id=602, vol=3.231700e+01
assign (resid   24 and name  HB2) (resid   24 and name  HG2) 2.815 0.991 0.991 !13Cnoesy, no=714, id=605, vol=3.222900e+01
assign (resid   52 and name HG21) (resid   52 and name   HB) 1.663 1.663 4.337 !13Cnoesy, no=715, id=606, vol=2.155200e+01
    or (resid   52 and name HG22) (resid   52 and name   HB)
    or (resid   52 and name HG23) (resid   52 and name   HB)
assign (resid   52 and name HG21) (resid   51 and name  HB1) 2.631 0.865 0.865 !13Cnoesy, no=716, id=607, vol=2.155100e+01
    or (resid   52 and name HG22) (resid   51 and name  HB1)
    or (resid   52 and name HG23) (resid   51 and name  HB1)
assign (resid    8 and name   HB) (resid    8 and name HG21) 1.726 0.372 0.372 !13Cnoesy, no=718, id=609, vol=2.151200e+01
    or (resid    8 and name   HB) (resid    8 and name HG22)
    or (resid    8 and name   HB) (resid    8 and name HG23)
assign (resid   13 and name  HB2) (resid    8 and name HG21) 3.192 1.273 1.273 !13Cnoesy, no=719, id=610, vol=2.152800e+01
    or (resid   13 and name  HB2) (resid    8 and name HG22)
    or (resid   13 and name  HB2) (resid    8 and name HG23)
    or (resid   13 and name  HB1) (resid    8 and name HG21)
    or (resid   13 and name  HB1) (resid    8 and name HG22)
    or (resid   13 and name  HB1) (resid    8 and name HG23)
assign (resid    8 and name HG21) (resid   73 and name  HD2) 3.209 1.288 1.288 !13Cnoesy, no=720, id=611, vol=2.153000e+01
    or (resid    8 and name HG21) (resid   73 and name  HD1)
    or (resid    8 and name HG22) (resid   73 and name  HD2)
    or (resid    8 and name HG22) (resid   73 and name  HD1)
    or (resid    8 and name HG23) (resid   73 and name  HD2)
    or (resid    8 and name HG23) (resid   73 and name  HD1)
assign (resid   45 and name  HB2) (resid   42 and name  HB2) 3.223 1.299 1.299 !13Cnoesy, no=721, id=612, vol=1.987500e+01
    or (resid   45 and name  HB1) (resid   42 and name  HB2)
    or (resid   45 and name  HB3) (resid   42 and name  HB2)
assign (resid   40 and name   HA) (resid   45 and name  HB2) 2.207 0.609 0.609 !13Cnoesy, no=722, id=613, vol=1.989400e+01
    or (resid   40 and name   HA) (resid   45 and name  HB1)
    or (resid   40 and name   HA) (resid   45 and name  HB3)
assign (resid   65 and name  HD2) (resid   45 and name  HB2) 3.461 3.461 2.539 !13Cnoesy, no=723, id=614, vol=1.984800e+01
    or (resid   65 and name  HD2) (resid   45 and name  HB1)
    or (resid   65 and name  HD2) (resid   45 and name  HB3)
    or (resid   65 and name  HD1) (resid   45 and name  HB2)
    or (resid   65 and name  HD1) (resid   45 and name  HB1)
    or (resid   65 and name  HD1) (resid   45 and name  HB3)
assign (resid   14 and name  HE1) (resid   45 and name  HB2) 2.543 0.808 0.808 !13Cnoesy, no=726, id=617, vol=1.989000e+01
    or (resid   14 and name  HE1) (resid   45 and name  HB1)
    or (resid   14 and name  HE1) (resid   45 and name  HB3)
    or (resid   14 and name  HE2) (resid   45 and name  HB2)
    or (resid   14 and name  HE2) (resid   45 and name  HB1)
    or (resid   14 and name  HE2) (resid   45 and name  HB3)
assign (resid   45 and name  HB2) (resid   14 and name   HZ) 2.568 0.824 0.824 !13Cnoesy, no=727, id=618, vol=1.989100e+01
    or (resid   45 and name  HB1) (resid   14 and name   HZ)
    or (resid   45 and name  HB3) (resid   14 and name   HZ)
assign (resid   45 and name  HB2) (resid   28 and name   HA) 2.654 2.654 3.346 !13Cnoesy, no=729, id=620, vol=1.989800e+01
    or (resid   45 and name  HB1) (resid   28 and name   HA)
    or (resid   45 and name  HB3) (resid   28 and name   HA)
assign (resid   45 and name   HA) (resid   45 and name  HB2) 1.924 0.463 0.463 !13Cnoesy, no=730, id=621, vol=1.989000e+01
    or (resid   45 and name   HA) (resid   45 and name  HB1)
    or (resid   45 and name   HA) (resid   45 and name  HB3)
assign (resid   45 and name  HB2) (resid   40 and name  HB1) 2.719 2.719 3.281 !13Cnoesy, no=732, id=623, vol=1.988600e+01
    or (resid   45 and name  HB1) (resid   40 and name  HB1)
    or (resid   45 and name  HB3) (resid   40 and name  HB1)
assign (resid   28 and name   HG) (resid   45 and name  HB2) 2.366 0.699 0.699 !13Cnoesy, no=733, id=624, vol=1.989500e+01
    or (resid   28 and name   HG) (resid   45 and name  HB1)
    or (resid   28 and name   HG) (resid   45 and name  HB3)
assign (resid   24 and name  HD2) (resid   24 and name  HG1) 3.219 1.295 1.295 !13Cnoesy, no=737, id=627, vol=2.659200e+01
assign (resid   24 and name  HG1) (resid   23 and name   HA) 3.158 1.247 1.247 !13Cnoesy, no=739, id=629, vol=2.661700e+01
assign (resid   24 and name  HG1) (resid   24 and name  HB1) 2.626 0.862 0.862 !13Cnoesy, no=740, id=630, vol=2.662200e+01
assign (resid   24 and name   HA) (resid   24 and name  HG1) 3.057 1.168 1.168 !13Cnoesy, no=742, id=631, vol=2.666900e+01
assign (resid   24 and name  HD1) (resid   24 and name  HG1) 2.934 1.076 1.076 !13Cnoesy, no=743, id=632, vol=2.664100e+01
assign (resid   33 and name  HG1) (resid   33 and name  HG2) 2.179 0.593 0.593 !13Cnoesy, no=748, id=637, vol=2.564800e+01
assign (resid   38 and name  HA1) (resid   33 and name  HG2) 3.044 1.159 1.159 !13Cnoesy, no=750, id=638, vol=2.561600e+01
assign (resid   23 and name HG22) (resid   27 and name  HE3) 2.402 0.721 0.721 !13Cnoesy, no=751, id=639, vol=2.241000e+01
    or (resid   23 and name HG21) (resid   27 and name  HE3)
    or (resid   23 and name HG23) (resid   27 and name  HE3)
assign (resid   23 and name HG22) (resid   27 and name  HD1) 3.518 1.547 1.547 !13Cnoesy, no=752, id=640, vol=2.245400e+01
    or (resid   23 and name HG21) (resid   27 and name  HD1)
    or (resid   23 and name HG23) (resid   27 and name  HD1)
assign (resid   23 and name HG22) (resid   27 and name   HA) 3.131 1.225 1.225 !13Cnoesy, no=753, id=641, vol=2.242300e+01
    or (resid   23 and name HG21) (resid   27 and name   HA)
    or (resid   23 and name HG23) (resid   27 and name   HA)
assign (resid   23 and name HG22) (resid   35 and name   HA) 3.501 1.532 1.532 !13Cnoesy, no=754, id=642, vol=2.241200e+01
    or (resid   23 and name HG21) (resid   35 and name   HA)
    or (resid   23 and name HG23) (resid   35 and name   HA)
assign (resid   23 and name HG22) (resid   23 and name   HA) 2.200 0.605 0.605 !13Cnoesy, no=755, id=643, vol=2.241900e+01
    or (resid   23 and name HG21) (resid   23 and name   HA)
    or (resid   23 and name HG23) (resid   23 and name   HA)
assign (resid   27 and name  HB1) (resid   23 and name HG22) 2.534 0.803 0.803 !13Cnoesy, no=756, id=644, vol=2.241900e+01
    or (resid   27 and name  HB1) (resid   23 and name HG21)
    or (resid   27 and name  HB1) (resid   23 and name HG23)
assign (resid   16 and name  HB1) (resid   23 and name HG22) 3.127 3.127 3.023 !13Cnoesy, no=757, id=645, vol=2.245400e+01
    or (resid   16 and name  HB1) (resid   23 and name HG21)
    or (resid   16 and name  HB1) (resid   23 and name HG23)
assign (resid   23 and name   HB) (resid   23 and name HG22) 2.172 0.589 0.589 !13Cnoesy, no=760, id=648, vol=2.241600e+01
    or (resid   23 and name   HB) (resid   23 and name HG21)
    or (resid   23 and name   HB) (resid   23 and name HG23)
assign (resid   23 and name HG22) (resid   24 and name  HG2) 3.228 1.302 1.302 !13Cnoesy, no=764, id=651, vol=2.241400e+01
    or (resid   23 and name HG21) (resid   24 and name  HG2)
    or (resid   23 and name HG23) (resid   24 and name  HG2)
assign (resid   23 and name HG22) (resid   28 and name HD12) 2.436 0.742 0.742 !13Cnoesy, no=765, id=652, vol=2.242300e+01
    or (resid   23 and name HG22) (resid   28 and name HD11)
    or (resid   23 and name HG22) (resid   28 and name HD13)
    or (resid   23 and name HG21) (resid   28 and name HD12)
    or (resid   23 and name HG21) (resid   28 and name HD11)
    or (resid   23 and name HG21) (resid   28 and name HD13)
    or (resid   23 and name HG23) (resid   28 and name HD12)
    or (resid   23 and name HG23) (resid   28 and name HD11)
    or (resid   23 and name HG23) (resid   28 and name HD13)
assign (resid   23 and name HG12) (resid   14 and name  HE1) 2.587 0.837 0.837 !13Cnoesy, no=766, id=653, vol=2.055400e+01
    or (resid   23 and name HG12) (resid   14 and name  HE2)
    or (resid   23 and name HG11) (resid   14 and name  HE1)
    or (resid   23 and name HG11) (resid   14 and name  HE2)
    or (resid   23 and name HG13) (resid   14 and name  HE1)
    or (resid   23 and name HG13) (resid   14 and name  HE2)
assign (resid   14 and name  HD1) (resid   23 and name HG12) 2.245 0.630 0.630 !13Cnoesy, no=767, id=654, vol=2.055300e+01
    or (resid   14 and name  HD1) (resid   23 and name HG11)
    or (resid   14 and name  HD1) (resid   23 and name HG13)
    or (resid   14 and name  HD2) (resid   23 and name HG12)
    or (resid   14 and name  HD2) (resid   23 and name HG11)
    or (resid   14 and name  HD2) (resid   23 and name HG13)
assign (resid   23 and name HG12) (resid   22 and name   HA) 3.431 1.472 1.472 !13Cnoesy, no=768, id=655, vol=2.056600e+01
    or (resid   23 and name HG11) (resid   22 and name   HA)
    or (resid   23 and name HG13) (resid   22 and name   HA)
assign (resid   35 and name   HA) (resid   23 and name HG12) 3.545 1.571 1.571 !13Cnoesy, no=769, id=656, vol=2.057200e+01
    or (resid   35 and name   HA) (resid   23 and name HG11)
    or (resid   35 and name   HA) (resid   23 and name HG13)
assign (resid   23 and name HG12) (resid   40 and name  HB1) 2.361 0.697 0.697 !13Cnoesy, no=775, id=662, vol=2.055400e+01
    or (resid   23 and name HG11) (resid   40 and name  HB1)
    or (resid   23 and name HG13) (resid   40 and name  HB1)
assign (resid   23 and name   HB) (resid   23 and name HG12) 2.210 0.610 0.610 !13Cnoesy, no=776, id=663, vol=2.055700e+01
    or (resid   23 and name   HB) (resid   23 and name HG11)
    or (resid   23 and name   HB) (resid   23 and name HG13)
assign (resid   23 and name HG12) (resid   28 and name HD12) 2.370 0.702 0.702 !13Cnoesy, no=780, id=666, vol=2.055700e+01
    or (resid   23 and name HG12) (resid   28 and name HD11)
    or (resid   23 and name HG12) (resid   28 and name HD13)
    or (resid   23 and name HG11) (resid   28 and name HD12)
    or (resid   23 and name HG11) (resid   28 and name HD11)
    or (resid   23 and name HG11) (resid   28 and name HD13)
    or (resid   23 and name HG13) (resid   28 and name HD12)
    or (resid   23 and name HG13) (resid   28 and name HD11)
    or (resid   23 and name HG13) (resid   28 and name HD13)
assign (resid   21 and name HG22) (resid   22 and name   HA) 3.044 1.159 1.159 !13Cnoesy, no=782, id=668, vol=2.161000e+01
    or (resid   21 and name HG21) (resid   22 and name   HA)
    or (resid   21 and name HG23) (resid   22 and name   HA)
assign (resid   35 and name   HA) (resid   21 and name HG22) 2.939 2.939 3.061 !13Cnoesy, no=783, id=669, vol=2.158700e+01
    or (resid   35 and name   HA) (resid   21 and name HG21)
    or (resid   35 and name   HA) (resid   21 and name HG23)
assign (resid   66 and name HG22) (resid   66 and name   HA) 1.791 0.401 0.401 !13Cnoesy, no=785, id=671, vol=2.161200e+01
    or (resid   66 and name HG21) (resid   66 and name   HA)
    or (resid   66 and name HG23) (resid   66 and name   HA)
assign (resid   16 and name  HB1) (resid   21 and name HG22) 2.834 1.004 1.294 !13Cnoesy, no=786, id=672, vol=2.159700e+01
    or (resid   16 and name  HB1) (resid   21 and name HG21)
    or (resid   16 and name  HB1) (resid   21 and name HG23)
assign (resid   66 and name   HB) (resid   66 and name HG22) 1.790 0.401 0.401 !13Cnoesy, no=790, id=676, vol=2.161200e+01
    or (resid   66 and name   HB) (resid   66 and name HG21)
    or (resid   66 and name   HB) (resid   66 and name HG23)
assign (resid   21 and name   HB) (resid   21 and name HG22) 1.829 0.418 0.418 !13Cnoesy, no=791, id=677, vol=2.160300e+01
    or (resid   21 and name   HB) (resid   21 and name HG21)
    or (resid   21 and name   HB) (resid   21 and name HG23)
assign (resid   66 and name HG22) (resid   65 and name  HG1) 2.304 0.664 0.664 !13Cnoesy, no=792, id=678, vol=2.160200e+01
    or (resid   66 and name HG21) (resid   65 and name  HG1)
    or (resid   66 and name HG23) (resid   65 and name  HG1)
assign (resid   43 and name HG22) (resid   42 and name   HA) 2.947 1.085 1.185 !13Cnoesy, no=796, id=682, vol=1.742900e+01
    or (resid   43 and name HG21) (resid   42 and name   HA)
    or (resid   43 and name HG23) (resid   42 and name   HA)
assign (resid   43 and name   HA) (resid   43 and name HG22) 1.930 1.930 4.070 !13Cnoesy, no=798, id=684, vol=1.743400e+01
    or (resid   43 and name   HA) (resid   43 and name HG21)
    or (resid   43 and name   HA) (resid   43 and name HG23)
assign (resid   43 and name   HB) (resid   43 and name HG22) 1.722 0.371 0.371 !13Cnoesy, no=801, id=687, vol=1.743200e+01
    or (resid   43 and name   HB) (resid   43 and name HG21)
    or (resid   43 and name   HB) (resid   43 and name HG23)
assign (resid   43 and name HG22) (resid   43 and name HG11) 1.863 0.434 0.634 !13Cnoesy, no=802, id=688, vol=1.743300e+01
    or (resid   43 and name HG21) (resid   43 and name HG11)
    or (resid   43 and name HG23) (resid   43 and name HG11)
assign (resid   43 and name HG22) (resid   43 and name HG12) 1.944 1.944 4.056 !13Cnoesy, no=803, id=689, vol=1.743300e+01
    or (resid   43 and name HG21) (resid   43 and name HG12)
    or (resid   43 and name HG23) (resid   43 and name HG12)
assign (resid   67 and name   HA) (resid   66 and name HG12) 2.248 2.248 3.752 !13Cnoesy, no=805, id=690, vol=2.115500e+01
    or (resid   67 and name   HA) (resid   66 and name HG11)
    or (resid   67 and name   HA) (resid   66 and name HG13)
assign (resid   66 and name HG12) (resid   66 and name   HA) 1.853 1.853 4.147 !13Cnoesy, no=806, id=691, vol=2.114900e+01
    or (resid   66 and name HG11) (resid   66 and name   HA)
    or (resid   66 and name HG13) (resid   66 and name   HA)
assign (resid   66 and name   HB) (resid   66 and name HG12) 1.706 0.364 0.364 !13Cnoesy, no=808, id=693, vol=2.114900e+01
    or (resid   66 and name   HB) (resid   66 and name HG11)
    or (resid   66 and name   HB) (resid   66 and name HG13)
assign (resid    4 and name HD22) (resid   27 and name  HZ3) 3.154 1.244 1.444 !13Cnoesy, no=812, id=696, vol=2.507000e+01
    or (resid    4 and name HD21) (resid   27 and name  HZ3)
    or (resid    4 and name HD23) (resid   27 and name  HZ3)
assign (resid   73 and name  HD2) (resid   72 and name HD22) 2.403 0.722 0.722 !13Cnoesy, no=813, id=697, vol=2.523300e+01
    or (resid   73 and name  HD2) (resid   72 and name HD21)
    or (resid   73 and name  HD2) (resid   72 and name HD23)
    or (resid   73 and name  HD1) (resid   72 and name HD22)
    or (resid   73 and name  HD1) (resid   72 and name HD21)
    or (resid   73 and name  HD1) (resid   72 and name HD23)
assign (resid    4 and name HD22) (resid   16 and name  HB1) 3.142 1.234 1.234 !13Cnoesy, no=815, id=699, vol=2.490100e+01
    or (resid    4 and name HD21) (resid   16 and name  HB1)
    or (resid    4 and name HD23) (resid   16 and name  HB1)
assign (resid   71 and name  HD2) (resid   68 and name HD22) 2.586 0.836 1.036 !13Cnoesy, no=818, id=702, vol=2.493900e+01
    or (resid   71 and name  HD2) (resid   68 and name HD21)
    or (resid   71 and name  HD2) (resid   68 and name HD23)
assign (resid    4 and name HD22) (resid   34 and name  HB2) 3.390 1.436 1.436 !13Cnoesy, no=826, id=710, vol=2.495000e+01
    or (resid    4 and name HD21) (resid   34 and name  HB2)
    or (resid    4 and name HD23) (resid   34 and name  HB2)
assign (resid   49 and name  HD1) (resid   43 and name HD12) 3.138 3.138 2.862 !13Cnoesy, no=828, id=712, vol=1.353500e+01
    or (resid   49 and name  HD1) (resid   43 and name HD11)
    or (resid   49 and name  HD1) (resid   43 and name HD13)
    or (resid   49 and name  HD2) (resid   43 and name HD12)
    or (resid   49 and name  HD2) (resid   43 and name HD11)
    or (resid   49 and name  HD2) (resid   43 and name HD13)
assign (resid   43 and name HD12) (resid   48 and name   HA) 2.440 0.744 0.744 !13Cnoesy, no=831, id=715, vol=1.353700e+01
    or (resid   43 and name HD11) (resid   48 and name   HA)
    or (resid   43 and name HD13) (resid   48 and name   HA)
assign (resid   43 and name HD12) (resid   43 and name   HA) 2.130 0.567 0.567 !13Cnoesy, no=832, id=716, vol=1.353500e+01
    or (resid   43 and name HD11) (resid   43 and name   HA)
    or (resid   43 and name HD13) (resid   43 and name   HA)
assign (resid   46 and name  HA2) (resid   43 and name HD12) 3.273 1.339 1.339 !13Cnoesy, no=834, id=718, vol=1.350400e+01
    or (resid   46 and name  HA2) (resid   43 and name HD11)
    or (resid   46 and name  HA2) (resid   43 and name HD13)
assign (resid   65 and name  HD2) (resid   43 and name HD12) 3.038 3.038 2.962 !13Cnoesy, no=835, id=719, vol=1.351400e+01
    or (resid   65 and name  HD2) (resid   43 and name HD11)
    or (resid   65 and name  HD2) (resid   43 and name HD13)
    or (resid   65 and name  HD1) (resid   43 and name HD12)
    or (resid   65 and name  HD1) (resid   43 and name HD11)
    or (resid   65 and name  HD1) (resid   43 and name HD13)
assign (resid   43 and name HD12) (resid   43 and name   HB) 2.010 0.505 0.505 !13Cnoesy, no=837, id=721, vol=1.352900e+01
    or (resid   43 and name HD11) (resid   43 and name   HB)
    or (resid   43 and name HD13) (resid   43 and name   HB)
assign (resid   43 and name HG11) (resid   43 and name HD12) 1.794 0.402 0.402 !13Cnoesy, no=838, id=722, vol=1.353000e+01
    or (resid   43 and name HG11) (resid   43 and name HD11)
    or (resid   43 and name HG11) (resid   43 and name HD13)
assign (resid   43 and name HG12) (resid   43 and name HD12) 1.725 0.372 0.372 !13Cnoesy, no=839, id=723, vol=1.352800e+01
    or (resid   43 and name HG12) (resid   43 and name HD11)
    or (resid   43 and name HG12) (resid   43 and name HD13)
assign (resid   71 and name   HA) (resid   75 and name HD12) 2.794 0.976 0.976 !13Cnoesy, no=841, id=724, vol=2.385300e+01
    or (resid   71 and name   HA) (resid   75 and name HD11)
    or (resid   71 and name   HA) (resid   75 and name HD13)
assign (resid    4 and name HD12) (resid   24 and name  HD2) 3.691 1.703 1.703 !13Cnoesy, no=843, id=726, vol=2.344000e+01
    or (resid    4 and name HD11) (resid   24 and name  HD2)
    or (resid    4 and name HD13) (resid   24 and name  HD2)
assign (resid    4 and name HD12) (resid   27 and name  HE3) 3.192 1.273 1.273 !13Cnoesy, no=846, id=729, vol=2.354600e+01
    or (resid    4 and name HD11) (resid   27 and name  HE3)
    or (resid    4 and name HD13) (resid   27 and name  HE3)
assign (resid   68 and name HD12) (resid   71 and name  HE1) 2.889 1.043 1.043 !13Cnoesy, no=853, id=736, vol=2.347900e+01
    or (resid   68 and name HD11) (resid   71 and name  HE1)
    or (resid   68 and name HD13) (resid   71 and name  HE1)
assign (resid    4 and name HD12) (resid   27 and name  HZ3) 2.808 0.986 0.986 !13Cnoesy, no=854, id=737, vol=2.344600e+01
    or (resid    4 and name HD11) (resid   27 and name  HZ3)
    or (resid    4 and name HD13) (resid   27 and name  HZ3)
assign (resid    4 and name HD12) (resid   34 and name  HB2) 3.094 1.197 1.197 !13Cnoesy, no=857, id=740, vol=2.346200e+01
    or (resid    4 and name HD11) (resid   34 and name  HB2)
    or (resid    4 and name HD13) (resid   34 and name  HB2)
assign (resid    4 and name HD12) (resid   23 and name   HB) 3.017 1.138 1.138 !13Cnoesy, no=858, id=741, vol=2.346000e+01
    or (resid    4 and name HD11) (resid   23 and name   HB)
    or (resid    4 and name HD13) (resid   23 and name   HB)
assign (resid   14 and name  HD1) (resid   28 and name HD22) 2.435 2.435 3.565 !13Cnoesy, no=860, id=743, vol=2.465500e+01
    or (resid   14 and name  HD1) (resid   28 and name HD21)
    or (resid   14 and name  HD1) (resid   28 and name HD23)
    or (resid   14 and name  HD2) (resid   28 and name HD22)
    or (resid   14 and name  HD2) (resid   28 and name HD21)
    or (resid   14 and name  HD2) (resid   28 and name HD23)
assign (resid   28 and name HD22) (resid   28 and name   HA) 2.426 2.426 3.574 !13Cnoesy, no=862, id=745, vol=2.465500e+01
    or (resid   28 and name HD21) (resid   28 and name   HA)
    or (resid   28 and name HD23) (resid   28 and name   HA)
assign (resid   25 and name   HA) (resid   28 and name HD22) 2.127 0.566 0.566 !13Cnoesy, no=864, id=747, vol=2.465200e+01
    or (resid   25 and name   HA) (resid   28 and name HD21)
    or (resid   25 and name   HA) (resid   28 and name HD23)
assign (resid   28 and name HD22) (resid   25 and name  HG2) 2.352 0.692 0.692 !13Cnoesy, no=867, id=750, vol=2.465100e+01
    or (resid   28 and name HD22) (resid   25 and name  HG1)
    or (resid   28 and name HD21) (resid   25 and name  HG2)
    or (resid   28 and name HD21) (resid   25 and name  HG1)
    or (resid   28 and name HD23) (resid   25 and name  HG2)
    or (resid   28 and name HD23) (resid   25 and name  HG1)
assign (resid   45 and name  HB2) (resid   28 and name HD22) 2.195 0.602 0.602 !13Cnoesy, no=869, id=752, vol=2.465600e+01
    or (resid   45 and name  HB2) (resid   28 and name HD21)
    or (resid   45 and name  HB2) (resid   28 and name HD23)
    or (resid   45 and name  HB1) (resid   28 and name HD22)
    or (resid   45 and name  HB1) (resid   28 and name HD21)
    or (resid   45 and name  HB1) (resid   28 and name HD23)
    or (resid   45 and name  HB3) (resid   28 and name HD22)
    or (resid   45 and name  HB3) (resid   28 and name HD21)
    or (resid   45 and name  HB3) (resid   28 and name HD23)
assign (resid   24 and name   HA) (resid   24 and name  HG2) 3.150 1.240 1.240 !13Cnoesy, no=872, id=754, vol=2.657300e+01
assign (resid   24 and name  HG2) (resid   24 and name  HD1) 2.937 1.078 1.078 !13Cnoesy, no=873, id=755, vol=2.664300e+01
assign (resid   24 and name  HG2) (resid   73 and name  HG2) 3.703 1.714 1.714 !13Cnoesy, no=875, id=757, vol=2.654400e+01
assign (resid   24 and name  HG2) (resid   23 and name   HA) 3.064 1.173 1.173 !13Cnoesy, no=876, id=758, vol=2.656100e+01
assign (resid   24 and name  HG2) (resid   24 and name  HD2) 3.094 1.197 1.197 !13Cnoesy, no=877, id=759, vol=2.660500e+01
assign (resid   24 and name  HG1) (resid   24 and name  HG2) 2.319 0.672 0.672 !13Cnoesy, no=878, id=760, vol=2.661400e+01
assign (resid   28 and name HD12) (resid   14 and name  HE1) 2.694 2.694 3.306 !13Cnoesy, no=880, id=761, vol=2.208500e+01
    or (resid   28 and name HD12) (resid   14 and name  HE2)
    or (resid   28 and name HD11) (resid   14 and name  HE1)
    or (resid   28 and name HD11) (resid   14 and name  HE2)
    or (resid   28 and name HD13) (resid   14 and name  HE1)
    or (resid   28 and name HD13) (resid   14 and name  HE2)
assign (resid   14 and name  HD1) (resid   28 and name HD12) 2.315 0.670 0.670 !13Cnoesy, no=881, id=762, vol=2.209000e+01
    or (resid   14 and name  HD1) (resid   28 and name HD11)
    or (resid   14 and name  HD1) (resid   28 and name HD13)
    or (resid   14 and name  HD2) (resid   28 and name HD12)
    or (resid   14 and name  HD2) (resid   28 and name HD11)
    or (resid   14 and name  HD2) (resid   28 and name HD13)
assign (resid   28 and name HD12) (resid   28 and name   HA) 2.028 0.514 0.514 !13Cnoesy, no=883, id=764, vol=2.206900e+01
    or (resid   28 and name HD11) (resid   28 and name   HA)
    or (resid   28 and name HD13) (resid   28 and name   HA)
assign (resid   25 and name   HA) (resid   28 and name HD12) 2.482 0.770 0.770 !13Cnoesy, no=885, id=766, vol=2.207600e+01
    or (resid   25 and name   HA) (resid   28 and name HD11)
    or (resid   25 and name   HA) (resid   28 and name HD13)
assign (resid   40 and name   HA) (resid   28 and name HD12) 2.267 0.643 0.643 !13Cnoesy, no=886, id=767, vol=2.207000e+01
    or (resid   40 and name   HA) (resid   28 and name HD11)
    or (resid   40 and name   HA) (resid   28 and name HD13)
assign (resid   14 and name  HB1) (resid   28 and name HD12) 2.215 0.613 0.613 !13Cnoesy, no=887, id=768, vol=2.208100e+01
    or (resid   14 and name  HB1) (resid   28 and name HD11)
    or (resid   14 and name  HB1) (resid   28 and name HD13)
assign (resid   40 and name  HB1) (resid   28 and name HD12) 2.200 0.605 1.205 !13Cnoesy, no=888, id=769, vol=2.208400e+01
    or (resid   40 and name  HB1) (resid   28 and name HD11)
    or (resid   40 and name  HB1) (resid   28 and name HD13)
assign (resid   28 and name HD12) (resid   25 and name  HG2) 2.580 0.832 0.832 !13Cnoesy, no=889, id=770, vol=2.207600e+01
    or (resid   28 and name HD12) (resid   25 and name  HG1)
    or (resid   28 and name HD11) (resid   25 and name  HG2)
    or (resid   28 and name HD11) (resid   25 and name  HG1)
    or (resid   28 and name HD13) (resid   25 and name  HG2)
    or (resid   28 and name HD13) (resid   25 and name  HG1)
assign (resid   28 and name  HB2) (resid   28 and name HD12) 2.254 2.254 3.746 !13Cnoesy, no=891, id=772, vol=2.207300e+01
    or (resid   28 and name  HB2) (resid   28 and name HD11)
    or (resid   28 and name  HB2) (resid   28 and name HD13)
assign (resid   45 and name  HB2) (resid   28 and name HD12) 1.960 0.480 0.480 !13Cnoesy, no=892, id=773, vol=2.205800e+01
    or (resid   45 and name  HB2) (resid   28 and name HD11)
    or (resid   45 and name  HB2) (resid   28 and name HD13)
    or (resid   45 and name  HB1) (resid   28 and name HD12)
    or (resid   45 and name  HB1) (resid   28 and name HD11)
    or (resid   45 and name  HB1) (resid   28 and name HD13)
    or (resid   45 and name  HB3) (resid   28 and name HD12)
    or (resid   45 and name  HB3) (resid   28 and name HD11)
    or (resid   45 and name  HB3) (resid   28 and name HD13)
assign (resid   28 and name HD22) (resid   28 and name HD12) 1.869 0.436 0.436 !13Cnoesy, no=893, id=774, vol=2.209600e+01
    or (resid   28 and name HD22) (resid   28 and name HD11)
    or (resid   28 and name HD22) (resid   28 and name HD13)
    or (resid   28 and name HD21) (resid   28 and name HD12)
    or (resid   28 and name HD21) (resid   28 and name HD11)
    or (resid   28 and name HD21) (resid   28 and name HD13)
    or (resid   28 and name HD23) (resid   28 and name HD12)
    or (resid   28 and name HD23) (resid   28 and name HD11)
    or (resid   28 and name HD23) (resid   28 and name HD13)
assign (resid    4 and name HD12) (resid   27 and name  HH2) 4.157 2.160 2.160 !13Cnoesy, no=904, id=784, vol=1.249680e+02
    or (resid    4 and name HD11) (resid   27 and name  HH2)
    or (resid    4 and name HD13) (resid   27 and name  HH2)
assign (resid   49 and name  HD1) (resid   47 and name  HB2) 4.010 2.010 2.010 !13Cnoesy, no=913, id=793, vol=1.331810e+02
    or (resid   49 and name  HD2) (resid   47 and name  HB2)
assign (resid   50 and name   HA) (resid   49 and name  HD1) 3.828 1.832 1.832 !13Cnoesy, no=917, id=797, vol=1.332360e+02
    or (resid   50 and name   HA) (resid   49 and name  HD2)
!assign (resid   49 and name  HE1) (resid   63 and name  HG1) 3.742 3.742 3.008 !13Cnoesy, no=924, id=804, vol=1.179510e+02
!    or (resid   49 and name  HE2) (resid   63 and name  HG1)
assign (resid   42 and name  HB1) (resid   45 and name  HB2) 3.812 1.817 1.817 !13Cnoesy, no=927, id=807, vol=6.752500e+01
    or (resid   42 and name  HB1) (resid   45 and name  HB1)
    or (resid   42 and name  HB1) (resid   45 and name  HB3)
assign (resid   19 and name   HB) (resid   16 and name  HB1) 4.055 2.056 2.056 !13Cnoesy, no=928, id=808, vol=7.224700e+01
assign (resid   19 and name   HB) (resid   20 and name  HB2) 4.079 2.080 2.080 !13Cnoesy, no=929, id=809, vol=7.214500e+01
assign (resid   19 and name   HB) (resid   16 and name  HB2) 4.010 2.010 2.010 !13Cnoesy, no=930, id=810, vol=7.227300e+01
assign (resid   19 and name   HB) (resid   36 and name  HB2) 4.279 2.289 2.289 !13Cnoesy, no=931, id=811, vol=7.235400e+01
    or (resid   19 and name   HB) (resid   36 and name  HB1)
    or (resid   19 and name   HB) (resid   36 and name  HB3)
assign (resid   14 and name   HZ) (resid   17 and name   HA) 3.949 1.949 1.949 !13Cnoesy, no=934, id=814, vol=6.403800e+01
assign (resid   17 and name   HA) (resid   15 and name  HB1) 3.783 1.789 1.789 !13Cnoesy, no=935, id=815, vol=6.398700e+01
assign (resid   17 and name   HA) (resid   16 and name  HB2) 3.755 1.763 2.213 !13Cnoesy, no=936, id=816, vol=6.401500e+01
assign (resid   44 and name  HB2) (resid   17 and name   HA) 3.894 3.894 2.106 !13Cnoesy, no=937, id=817, vol=6.403400e+01
    or (resid   44 and name  HB1) (resid   17 and name   HA)
    or (resid   44 and name  HB3) (resid   17 and name   HA)
assign (resid    8 and name   HB) (resid    9 and name   HA) 3.518 3.518 2.482 !13Cnoesy, no=943, id=823, vol=6.993800e+01
assign (resid   43 and name   HA) (resid   42 and name   HA) 3.691 1.703 1.703 !13Cnoesy, no=944, id=824, vol=6.375500e+01
assign (resid   21 and name   HA) (resid   20 and name  HD2) 4.246 2.254 2.254 !13Cnoesy, no=946, id=826, vol=6.296400e+01
assign (resid   21 and name   HA) (resid   22 and name   HA) 4.391 2.410 2.410 !13Cnoesy, no=948, id=828, vol=6.298400e+01
assign (resid   42 and name  HB2) (resid   47 and name  HB2) 4.079 2.080 2.080 !13Cnoesy, no=952, id=832, vol=6.752500e+01
assign (resid   70 and name  HB2) (resid   74 and name  HE1) 3.989 1.989 1.989 !13Cnoesy, no=954, id=834, vol=6.294900e+01
assign (resid   27 and name  HB1) (resid   28 and name   HA) 3.783 1.789 1.789 !13Cnoesy, no=956, id=836, vol=2.797800e+01
assign (resid   14 and name  HD1) (resid   25 and name   HA) 3.828 1.832 1.832 !13Cnoesy, no=958, id=837, vol=5.946000e+01
    or (resid   14 and name  HD2) (resid   25 and name   HA)
assign (resid   25 and name   HA) (resid   28 and name   HA) 3.742 1.750 1.750 !13Cnoesy, no=959, id=838, vol=5.946000e+01
assign (resid   13 and name  HB2) (resid   12 and name  HB2) 3.844 1.847 1.847 !13Cnoesy, no=960, id=839, vol=6.582900e+01
    or (resid   13 and name  HB2) (resid   12 and name  HB1)
    or (resid   13 and name  HB1) (resid   12 and name  HB2)
    or (resid   13 and name  HB1) (resid   12 and name  HB1)
assign (resid   15 and name  HB2) (resid    9 and name  HB1) 3.828 1.832 1.832 !13Cnoesy, no=964, id=843, vol=6.337300e+01
assign (resid   20 and name  HB1) (resid   20 and name  HD2) 3.729 1.738 1.738 !13Cnoesy, no=966, id=845, vol=2.961700e+01
assign (resid   20 and name  HB2) (resid   21 and name   HA) 4.215 2.221 2.221 !13Cnoesy, no=971, id=850, vol=2.952100e+01
assign (resid   27 and name  HB2) (resid   23 and name   HB) 4.010 2.010 2.010 !13Cnoesy, no=972, id=851, vol=2.799500e+01
assign (resid   27 and name  HB2) (resid   27 and name  HD1) 3.783 1.789 1.789 !13Cnoesy, no=973, id=852, vol=2.811300e+01
assign (resid   17 and name  HG1) (resid   14 and name  HE1) 3.989 1.989 1.989 !13Cnoesy, no=978, id=857, vol=2.753100e+01
    or (resid   17 and name  HG1) (resid   14 and name  HE2)
assign (resid   17 and name  HG1) (resid   14 and name   HZ) 4.391 2.410 2.410 !13Cnoesy, no=979, id=858, vol=2.755600e+01
assign (resid   23 and name HG12) (resid   17 and name  HG1) 4.391 2.410 2.410 !13Cnoesy, no=981, id=860, vol=2.757500e+01
    or (resid   23 and name HG11) (resid   17 and name  HG1)
    or (resid   23 and name HG13) (resid   17 and name  HG1)
assign (resid   17 and name  HB2) (resid   14 and name  HE1) 4.433 2.456 2.456 !13Cnoesy, no=983, id=862, vol=3.227700e+01
    or (resid   17 and name  HB2) (resid   14 and name  HE2)
assign (resid   17 and name  HB2) (resid   14 and name   HZ) 4.433 2.456 2.456 !13Cnoesy, no=985, id=864, vol=3.213800e+01
assign (resid   17 and name  HG2) (resid   14 and name   HZ) 4.391 2.410 2.410 !13Cnoesy, no=986, id=865, vol=2.753400e+01
assign (resid   17 and name  HG2) (resid   45 and name  HB2) 4.351 2.367 2.367 !13Cnoesy, no=987, id=866, vol=2.756000e+01
    or (resid   17 and name  HG2) (resid   45 and name  HB1)
    or (resid   17 and name  HG2) (resid   45 and name  HB3)
assign (resid   26 and name  HB1) (resid   27 and name   HA) 4.391 2.410 2.410 !13Cnoesy, no=988, id=867, vol=2.948100e+01
assign (resid   25 and name  HB2) (resid   13 and name   HA) 3.716 1.726 1.726 !13Cnoesy, no=989, id=868, vol=2.918000e+01
assign (resid   25 and name  HB2) (resid   28 and name HD12) 3.877 1.878 1.878 !13Cnoesy, no=991, id=870, vol=2.924400e+01
    or (resid   25 and name  HB2) (resid   28 and name HD11)
    or (resid   25 and name  HB2) (resid   28 and name HD13)
assign (resid   73 and name  HB2) (resid   27 and name  HD1) 3.623 1.641 1.641 !13Cnoesy, no=992, id=871, vol=3.049100e+01
    or (resid   73 and name  HB1) (resid   27 and name  HD1)
assign (resid   14 and name  HD1) (resid   28 and name   HG) 4.351 2.367 2.367 !13Cnoesy, no=995, id=874, vol=2.675100e+01
    or (resid   14 and name  HD2) (resid   28 and name   HG)
assign (resid   28 and name   HG) (resid   45 and name   HA) 4.055 2.056 2.056 !13Cnoesy, no=996, id=875, vol=2.674500e+01
assign (resid   73 and name  HG1) (resid   11 and name  HD2) 4.478 2.506 2.506 !13Cnoesy, no=999, id=878, vol=2.739400e+01
    or (resid   73 and name  HG1) (resid   11 and name  HD1)
assign (resid    4 and name   HG) (resid   27 and name  HZ3) 3.554 1.579 1.579 !13Cnoesy, no=1003, id=882, vol=2.713800e+01
assign (resid   41 and name  HB1) (resid   33 and name  HG1) 4.314 2.327 2.327 !13Cnoesy, no=1007, id=886, vol=2.568600e+01
assign (resid   77 and name  HD1) (resid   27 and name  HZ2) 4.215 2.221 2.221 !13Cnoesy, no=1008, id=887, vol=2.909900e+01
assign (resid   44 and name  HB2) (resid   17 and name  HG1) 3.645 1.661 1.661 !13Cnoesy, no=1012, id=891, vol=1.822400e+01
    or (resid   44 and name  HB1) (resid   17 and name  HG1)
    or (resid   44 and name  HB3) (resid   17 and name  HG1)
assign (resid   26 and name  HG2) (resid   27 and name   HA) 4.391 2.410 2.410 !13Cnoesy, no=1015, id=894, vol=2.714400e+01
    or (resid   26 and name  HG1) (resid   27 and name   HA)
assign (resid   48 and name   HG) (resid   47 and name   HA) 3.691 1.703 1.703 !13Cnoesy, no=1016, id=895, vol=2.711400e+01
assign (resid   66 and name   HB) (resid   69 and name  HB2) 3.755 1.763 1.763 !13Cnoesy, no=1020, id=899, vol=1.857300e+01
    or (resid   66 and name   HB) (resid   69 and name  HB1)
    or (resid   66 and name   HB) (resid   69 and name  HB3)
assign (resid   71 and name  HD2) (resid   69 and name  HB2) 3.949 2.149 2.541 !13Cnoesy, no=1021, id=900, vol=1.861600e+01
    or (resid   71 and name  HD2) (resid   69 and name  HB1)
    or (resid   71 and name  HD2) (resid   69 and name  HB3)
assign (resid    7 and name  HG2) (resid    6 and name  HA2) 3.989 1.989 1.989 !13Cnoesy, no=1028, id=907, vol=2.477100e+01
    or (resid    7 and name  HG2) (resid    6 and name  HA1)
assign (resid   24 and name  HB2) (resid   27 and name  HD1) 3.860 1.862 1.862 !13Cnoesy, no=1033, id=912, vol=3.216300e+01
assign (resid   24 and name  HB2) (resid   13 and name   HA) 4.104 2.105 2.105 !13Cnoesy, no=1034, id=913, vol=3.233300e+01
assign (resid   13 and name  HB2) (resid   24 and name  HB2) 4.351 2.367 2.367 !13Cnoesy, no=1035, id=914, vol=3.215700e+01
    or (resid   13 and name  HB1) (resid   24 and name  HB2)
assign (resid    8 and name HG21) (resid   27 and name  HZ2) 4.032 2.032 2.232 !13Cnoesy, no=1037, id=916, vol=2.145800e+01
    or (resid    8 and name HG22) (resid   27 and name  HZ2)
    or (resid    8 and name HG23) (resid   27 and name  HZ2)
assign (resid   19 and name HG21) (resid   20 and name  HD2) 4.279 2.289 2.289 !13Cnoesy, no=1039, id=918, vol=2.139600e+01
    or (resid   19 and name HG22) (resid   20 and name  HD2)
    or (resid   19 and name HG23) (resid   20 and name  HD2)
assign (resid   27 and name  HE3) (resid   24 and name  HG1) 3.783 1.789 1.789 !13Cnoesy, no=1040, id=919, vol=2.660400e+01
assign (resid   13 and name  HB2) (resid   24 and name  HG1) 3.989 1.989 1.989 !13Cnoesy, no=1042, id=921, vol=2.667900e+01
    or (resid   13 and name  HB1) (resid   24 and name  HG1)
assign (resid   24 and name  HG1) (resid   27 and name  HD1) 4.055 2.056 2.056 !13Cnoesy, no=1043, id=922, vol=2.651300e+01
assign (resid   41 and name  HB1) (resid   33 and name  HG2) 3.949 1.949 1.949 !13Cnoesy, no=1045, id=924, vol=2.568300e+01
assign (resid   33 and name  HG2) (resid   41 and name  HG1) 3.667 1.681 1.681 !13Cnoesy, no=1046, id=925, vol=2.564000e+01
assign (resid   21 and name HG22) (resid   20 and name  HE1) 3.877 1.878 1.878 !13Cnoesy, no=1050, id=929, vol=2.167200e+01
    or (resid   21 and name HG21) (resid   20 and name  HE1)
    or (resid   21 and name HG23) (resid   20 and name  HE1)
assign (resid   43 and name HG22) (resid   46 and name  HA2) 3.545 1.571 1.571 !13Cnoesy, no=1051, id=930, vol=1.759200e+01
    or (resid   43 and name HG21) (resid   46 and name  HA2)
    or (resid   43 and name HG23) (resid   46 and name  HA2)
assign (resid   43 and name HG22) (resid   50 and name  HB2) 4.130 2.132 2.132 !13Cnoesy, no=1052, id=931, vol=1.748200e+01
    or (resid   43 and name HG21) (resid   50 and name  HB2)
    or (resid   43 and name HG23) (resid   50 and name  HB2)
assign (resid    4 and name HD22) (resid   27 and name  HE3) 3.623 1.641 1.641 !13Cnoesy, no=1054, id=933, vol=2.491300e+01
    or (resid    4 and name HD21) (resid   27 and name  HE3)
    or (resid    4 and name HD23) (resid   27 and name  HE3)
assign (resid   49 and name  HE1) (resid   43 and name HD12) 3.742 3.742 2.258 !13Cnoesy, no=1055, id=934, vol=1.355000e+01
    or (resid   49 and name  HE1) (resid   43 and name HD11)
    or (resid   49 and name  HE1) (resid   43 and name HD13)
    or (resid   49 and name  HE2) (resid   43 and name HD12)
    or (resid   49 and name  HE2) (resid   43 and name HD11)
    or (resid   49 and name  HE2) (resid   43 and name HD13)
assign (resid   28 and name HD22) (resid   27 and name   HA) 4.279 2.289 2.289 !13Cnoesy, no=1056, id=935, vol=2.462600e+01
    or (resid   28 and name HD21) (resid   27 and name   HA)
    or (resid   28 and name HD23) (resid   27 and name   HA)
assign (resid   24 and name  HG2) (resid   27 and name  HD1) 4.279 2.289 2.289 !13Cnoesy, no=1057, id=936, vol=2.657000e+01
assign (resid   24 and name  HG2) (resid    7 and name  HB1) 4.104 2.105 2.105 !13Cnoesy, no=1059, id=938, vol=2.652000e+01
assign (resid   28 and name HD12) (resid   27 and name   HA) 3.912 1.913 1.913 !13Cnoesy, no=1060, id=939, vol=2.205600e+01
    or (resid   28 and name HD11) (resid   27 and name   HA)
    or (resid   28 and name HD13) (resid   27 and name   HA)
assign (resid   69 and name   HA) (resid   71 and name  HE1) 3.989 1.989 1.989 !13Cnoesy, no=1061, id=940, vol=5.378500e+01
assign (resid   60 and name   HA) (resid   63 and name  HG2) 3.112 1.211 1.211 !13Cnoesy, no=1064, id=943, vol=5.824100e+01
assign (resid   49 and name  HB2) (resid   58 and name   HA) 3.397 3.397 2.603 !13Cnoesy, no=1069, id=948, vol=5.825000e+01
assign (resid   58 and name  HB2) (resid   49 and name  HD1) 3.894 1.895 1.895 !13Cnoesy, no=1072, id=951, vol=6.379700e+01
    or (resid   58 and name  HB2) (resid   49 and name  HD2)
assign (resid   56 and name  HB2) (resid   49 and name  HE1) 3.634 1.651 1.651 !13Cnoesy, no=1074, id=953, vol=6.373700e+01
    or (resid   56 and name  HB2) (resid   49 and name  HE2)
assign (resid    4 and name   HA) (resid   27 and name  HZ3) 3.703 1.714 1.714 !13Cnoesy, no=1075, id=954, vol=5.519100e+01
assign (resid   39 and name   HA) (resid   14 and name  HE1) 3.769 1.776 1.776 !13Cnoesy, no=1076, id=955, vol=5.595300e+01
    or (resid   39 and name   HA) (resid   14 and name  HE2)
assign (resid   39 and name   HA) (resid   14 and name   HZ) 3.667 1.681 1.681 !13Cnoesy, no=1077, id=956, vol=5.602300e+01
assign (resid   48 and name  HB2) (resid   48 and name   HA) 2.111 0.557 0.557 !13Cnoesy, no=1078, id=957, vol=5.502900e+01
    or (resid   48 and name  HB1) (resid   48 and name   HA)
assign (resid   73 and name  HD2) (resid   27 and name  HZ2) 3.613 1.632 1.832 !13Cnoesy, no=1084, id=963, vol=4.332000e+01
    or (resid   73 and name  HD1) (resid   27 and name  HZ2)
assign (resid   33 and name  HD2) (resid   33 and name  HE2) 2.198 0.604 0.604 !13Cnoesy, no=1087, id=966, vol=2.947900e+01
    or (resid   33 and name  HD2) (resid   33 and name  HE1)
    or (resid   33 and name  HD1) (resid   33 and name  HE2)
    or (resid   33 and name  HD1) (resid   33 and name  HE1)
assign (resid   35 and name   HA) (resid   36 and name   HA) 3.603 1.622 1.622 !13Cnoesy, no=1090, id=969, vol=5.230600e+01
assign (resid   32 and name  HB1) (resid   32 and name   HA) 2.249 0.632 0.632 !13Cnoesy, no=1092, id=971, vol=5.198700e+01
assign (resid   32 and name   HA) (resid   33 and name  HG1) 3.510 1.540 1.540 !13Cnoesy, no=1094, id=973, vol=5.199900e+01
assign (resid   32 and name   HA) (resid   33 and name  HG2) 4.185 2.189 2.189 !13Cnoesy, no=1095, id=974, vol=5.204400e+01
assign (resid   32 and name   HA) (resid   33 and name   HA) 3.912 1.913 1.913 !13Cnoesy, no=1097, id=976, vol=5.206600e+01
assign (resid   32 and name   HA) (resid   31 and name  HA2) 4.279 2.289 2.289 !13Cnoesy, no=1099, id=977, vol=5.201600e+01
assign (resid   22 and name   HA) (resid   23 and name   HB) 4.635 2.686 2.686 !13Cnoesy, no=1101, id=979, vol=5.375600e+01
assign (resid   22 and name   HA) (resid    9 and name  HB1) 3.755 1.763 1.763 !13Cnoesy, no=1103, id=981, vol=5.364200e+01
assign (resid   27 and name   HA) (resid   27 and name  HE3) 3.656 1.671 1.671 !13Cnoesy, no=1104, id=982, vol=5.417700e+01
assign (resid   27 and name   HA) (resid   30 and name  HB1) 3.209 1.288 1.288 !13Cnoesy, no=1107, id=985, vol=5.426300e+01
assign (resid   27 and name   HA) (resid   26 and name   HA) 4.279 2.289 2.289 !13Cnoesy, no=1110, id=988, vol=5.422700e+01
assign (resid   19 and name   HA) (resid   18 and name  HA2) 3.623 1.641 1.641 !13Cnoesy, no=1113, id=990, vol=6.028200e+01
assign (resid   20 and name  HD2) (resid   19 and name   HA) 4.526 2.561 2.561 !13Cnoesy, no=1114, id=991, vol=6.038400e+01
assign (resid   19 and name   HA) (resid   21 and name HG12) 2.989 1.116 1.116 !13Cnoesy, no=1116, id=993, vol=6.031000e+01
    or (resid   19 and name   HA) (resid   21 and name HG11)
    or (resid   19 and name   HA) (resid   21 and name HG13)
assign (resid   16 and name  HB2) (resid   19 and name   HA) 4.104 2.105 2.205 !13Cnoesy, no=1117, id=994, vol=6.029100e+01
assign (resid   19 and name   HA) (resid   21 and name   HB) 3.798 1.803 1.803 !13Cnoesy, no=1118, id=995, vol=6.044200e+01
assign (resid   19 and name   HA) (resid   18 and name  HA1) 3.877 1.878 1.878 !13Cnoesy, no=1119, id=996, vol=6.028900e+01
assign (resid   11 and name  HD2) (resid    8 and name   HA) 3.912 1.913 1.913 !13Cnoesy, no=1121, id=998, vol=6.171400e+01
    or (resid   11 and name  HD1) (resid    8 and name   HA)
assign (resid    8 and name   HA) (resid    9 and name  HB2) 4.055 2.056 2.056 !13Cnoesy, no=1126, id=1002, vol=6.164200e+01
assign (resid   15 and name  HB1) (resid   15 and name   HA) 2.320 0.673 0.673 !13Cnoesy, no=1131, id=1004, vol=6.337900e+01
assign (resid   22 and name   HA) (resid   15 and name  HB1) 3.501 1.532 1.532 !13Cnoesy, no=1132, id=1005, vol=6.338600e+01
assign (resid    9 and name  HB1) (resid   15 and name  HB1) 3.969 1.969 2.069 !13Cnoesy, no=1134, id=1007, vol=6.340200e+01
assign (resid   15 and name  HB1) (resid   22 and name  HB2) 3.877 1.878 1.878 !13Cnoesy, no=1135, id=1008, vol=6.336300e+01
assign (resid   12 and name  HB2) (resid   25 and name  HB1) 2.696 0.908 0.908 !13Cnoesy, no=1141, id=1013, vol=6.251800e+01
    or (resid   12 and name  HB1) (resid   25 and name  HB1)
assign (resid   12 and name   HA) (resid   25 and name  HG2) 3.247 1.318 1.318 !13Cnoesy, no=1144, id=1015, vol=5.817400e+01
    or (resid   12 and name   HA) (resid   25 and name  HG1)
assign (resid   12 and name   HA) (resid   13 and name   HA) 4.314 2.327 2.327 !13Cnoesy, no=1146, id=1017, vol=5.808900e+01
assign (resid   23 and name   HA) (resid   24 and name  HB1) 3.930 1.931 1.931 !13Cnoesy, no=1151, id=1022, vol=5.776800e+01
assign (resid   24 and name  HD1) (resid   23 and name   HA) 2.810 0.987 0.987 !13Cnoesy, no=1152, id=1023, vol=5.785000e+01
assign (resid   24 and name  HD2) (resid   23 and name   HA) 3.026 1.145 1.145 !13Cnoesy, no=1153, id=1024, vol=5.784600e+01
assign (resid   13 and name   HA) (resid   25 and name  HG2) 3.196 1.277 1.277 !13Cnoesy, no=1159, id=1029, vol=5.761700e+01
    or (resid   13 and name   HA) (resid   25 and name  HG1)
assign (resid   42 and name   HA) (resid   49 and name  HE1) 4.185 2.189 2.189 !13Cnoesy, no=1160, id=1030, vol=5.744000e+01
    or (resid   42 and name   HA) (resid   49 and name  HE2)
assign (resid   42 and name   HA) (resid   47 and name  HB2) 3.345 1.399 1.399 !13Cnoesy, no=1164, id=1033, vol=5.744100e+01
assign (resid   44 and name  HB2) (resid   42 and name   HA) 3.209 3.209 2.791 !13Cnoesy, no=1166, id=1035, vol=5.741800e+01
    or (resid   44 and name  HB1) (resid   42 and name   HA)
    or (resid   44 and name  HB3) (resid   42 and name   HA)
assign (resid   42 and name   HA) (resid   47 and name  HB1) 3.623 1.641 1.641 !13Cnoesy, no=1168, id=1037, vol=5.753300e+01
assign (resid   34 and name   HA) (resid   27 and name  HE3) 3.370 1.420 1.820 !13Cnoesy, no=1174, id=1042, vol=5.689200e+01
assign (resid   34 and name   HA) (resid   35 and name   HA) 3.912 1.913 1.913 !13Cnoesy, no=1175, id=1043, vol=5.678200e+01
assign (resid   14 and name   HA) (resid   14 and name  HB2) 2.463 0.758 0.758 !13Cnoesy, no=1177, id=1044, vol=5.638100e+01
assign (resid   14 and name   HA) (resid   23 and name HG12) 3.142 1.234 1.234 !13Cnoesy, no=1180, id=1047, vol=5.637100e+01
    or (resid   14 and name   HA) (resid   23 and name HG11)
    or (resid   14 and name   HA) (resid   23 and name HG13)
assign (resid   28 and name HD22) (resid   14 and name   HA) 3.123 3.123 2.877 !13Cnoesy, no=1181, id=1048, vol=5.640100e+01
    or (resid   28 and name HD21) (resid   14 and name   HA)
    or (resid   28 and name HD23) (resid   14 and name   HA)
assign (resid   28 and name HD12) (resid   14 and name   HA) 3.166 1.253 1.253 !13Cnoesy, no=1182, id=1049, vol=5.639000e+01
    or (resid   28 and name HD11) (resid   14 and name   HA)
    or (resid   28 and name HD13) (resid   14 and name   HA)
assign (resid   14 and name  HD1) (resid   14 and name   HA) 2.546 0.810 0.810 !13Cnoesy, no=1183, id=1050, vol=5.637400e+01
    or (resid   14 and name  HD2) (resid   14 and name   HA)
assign (resid   14 and name   HA) (resid   22 and name   HA) 4.104 2.105 2.105 !13Cnoesy, no=1184, id=1051, vol=5.635800e+01
assign (resid   22 and name   HA) (resid   15 and name   HA) 2.430 0.738 0.738 !13Cnoesy, no=1186, id=1053, vol=5.636100e+01
assign (resid   23 and name HG12) (resid   15 and name   HA) 3.461 1.498 1.498 !13Cnoesy, no=1189, id=1055, vol=5.637700e+01
    or (resid   23 and name HG11) (resid   15 and name   HA)
    or (resid   23 and name HG13) (resid   15 and name   HA)
assign (resid   15 and name   HA) (resid   14 and name  HD1) 3.703 1.714 1.714 !13Cnoesy, no=1190, id=1056, vol=5.651700e+01
    or (resid   15 and name   HA) (resid   14 and name  HD2)
assign (resid   20 and name  HB1) (resid   20 and name   HA) 2.410 0.726 0.726 !13Cnoesy, no=1193, id=1059, vol=5.590100e+01
assign (resid   20 and name  HB2) (resid   20 and name   HA) 2.458 0.755 0.755 !13Cnoesy, no=1194, id=1060, vol=5.591900e+01
assign (resid   20 and name   HA) (resid   19 and name HG21) 3.912 1.913 1.913 !13Cnoesy, no=1198, id=1064, vol=5.598400e+01
    or (resid   20 and name   HA) (resid   19 and name HG22)
    or (resid   20 and name   HA) (resid   19 and name HG23)
assign (resid   20 and name  HD2) (resid   20 and name   HA) 2.944 2.944 3.056 !13Cnoesy, no=1199, id=1065, vol=5.591800e+01
assign (resid   28 and name  HB2) (resid   28 and name   HA) 2.756 0.950 0.950 !13Cnoesy, no=1203, id=1069, vol=5.523900e+01
assign (resid   28 and name   HA) (resid   14 and name  HD1) 4.010 2.010 2.010 !13Cnoesy, no=1208, id=1074, vol=5.508400e+01
    or (resid   28 and name   HA) (resid   14 and name  HD2)
assign (resid   28 and name   HA) (resid   40 and name  HB1) 2.886 1.041 1.041 !13Cnoesy, no=1209, id=1075, vol=5.517200e+01
assign (resid   49 and name  HD1) (resid   29 and name   HA) 3.844 3.844 2.496 !13Cnoesy, no=1210, id=1076, vol=5.430300e+01
    or (resid   49 and name  HD2) (resid   29 and name   HA)
assign (resid   29 and name  HB2) (resid   29 and name   HA) 2.512 0.789 0.789 !13Cnoesy, no=1213, id=1079, vol=5.438000e+01
assign (resid    9 and name  HB1) (resid    9 and name   HA) 2.499 0.780 0.780 !13Cnoesy, no=1216, id=1081, vol=5.461700e+01
assign (resid    9 and name  HB2) (resid    9 and name   HA) 2.435 0.741 0.741 !13Cnoesy, no=1217, id=1082, vol=5.460200e+01
assign (resid    9 and name   HA) (resid    8 and name HG21) 3.352 1.404 1.404 !13Cnoesy, no=1218, id=1083, vol=5.458300e+01
    or (resid    9 and name   HA) (resid    8 and name HG22)
    or (resid    9 and name   HA) (resid    8 and name HG23)
assign (resid    9 and name   HA) (resid   10 and name  HA2) 3.545 1.571 1.571 !13Cnoesy, no=1219, id=1084, vol=5.461100e+01
    or (resid    9 and name   HA) (resid   10 and name  HA1)
assign (resid   22 and name   HA) (resid    9 and name   HA) 3.783 1.789 1.789 !13Cnoesy, no=1220, id=1085, vol=5.461400e+01
assign (resid   24 and name  HG2) (resid    9 and name   HA) 4.079 2.080 2.880 !13Cnoesy, no=1222, id=1087, vol=5.457100e+01
assign (resid   41 and name   HA) (resid   47 and name  HB1) 3.214 1.291 1.291 !13Cnoesy, no=1226, id=1090, vol=5.412200e+01
assign (resid   41 and name  HB1) (resid   41 and name   HA) 2.634 0.867 0.867 !13Cnoesy, no=1227, id=1091, vol=5.411500e+01
assign (resid   41 and name   HA) (resid   41 and name  HG2) 2.817 0.992 0.992 !13Cnoesy, no=1229, id=1093, vol=5.411400e+01
assign (resid   41 and name  HB2) (resid   41 and name   HA) 2.586 0.836 0.836 !13Cnoesy, no=1230, id=1094, vol=5.407900e+01
assign (resid   49 and name  HE1) (resid   41 and name   HA) 3.634 1.651 1.651 !13Cnoesy, no=1232, id=1096, vol=5.414600e+01
    or (resid   49 and name  HE2) (resid   41 and name   HA)
assign (resid   27 and name   HA) (resid   30 and name   HA) 3.364 1.415 1.415 !13Cnoesy, no=1235, id=1099, vol=5.242600e+01
assign (resid   49 and name  HE1) (resid   50 and name   HA) 3.755 1.763 1.763 !13Cnoesy, no=1236, id=1100, vol=5.260800e+01
    or (resid   49 and name  HE2) (resid   50 and name   HA)
assign (resid   30 and name  HB2) (resid   30 and name   HA) 2.307 0.665 0.665 !13Cnoesy, no=1237, id=1101, vol=5.243400e+01
assign (resid   30 and name  HB1) (resid   30 and name   HA) 2.342 0.686 0.686 !13Cnoesy, no=1238, id=1102, vol=5.241900e+01
assign (resid   47 and name  HB2) (resid   47 and name   HA) 2.461 0.757 0.757 !13Cnoesy, no=1239, id=1103, vol=5.246000e+01
assign (resid   47 and name   HA) (resid   48 and name HD22) 3.017 1.138 1.138 !13Cnoesy, no=1240, id=1104, vol=5.253300e+01
    or (resid   47 and name   HA) (resid   48 and name HD21)
    or (resid   47 and name   HA) (resid   48 and name HD23)
assign (resid   47 and name  HB1) (resid   47 and name   HA) 2.400 0.720 0.720 !13Cnoesy, no=1242, id=1106, vol=5.246600e+01
assign (resid   47 and name   HA) (resid   49 and name  HE1) 3.844 1.847 1.847 !13Cnoesy, no=1245, id=1108, vol=5.249800e+01
    or (resid   47 and name   HA) (resid   49 and name  HE2)
assign (resid   47 and name   HA) (resid   49 and name  HD1) 3.679 1.692 1.692 !13Cnoesy, no=1246, id=1109, vol=5.258900e+01
    or (resid   47 and name   HA) (resid   49 and name  HD2)
assign (resid   17 and name  HD2) (resid   14 and name   HZ) 3.446 1.484 1.484 !13Cnoesy, no=1247, id=1110, vol=5.135100e+01
assign (resid   14 and name   HZ) (resid   17 and name  HD1) 3.352 1.404 1.404 !13Cnoesy, no=1248, id=1111, vol=5.136500e+01
assign (resid   14 and name  HE1) (resid   44 and name   HA) 4.246 2.254 2.254 !13Cnoesy, no=1252, id=1115, vol=5.452700e+01
    or (resid   14 and name  HE2) (resid   44 and name   HA)
assign (resid   14 and name   HZ) (resid   44 and name   HA) 4.478 2.506 2.506 !13Cnoesy, no=1253, id=1116, vol=5.459200e+01
assign (resid   28 and name HD22) (resid   40 and name   HA) 3.345 1.399 1.399 !13Cnoesy, no=1257, id=1120, vol=5.486500e+01
    or (resid   28 and name HD21) (resid   40 and name   HA)
    or (resid   28 and name HD23) (resid   40 and name   HA)
assign (resid   49 and name  HD1) (resid   48 and name   HA) 3.894 1.895 1.895 !13Cnoesy, no=1259, id=1121, vol=5.503300e+01
    or (resid   49 and name  HD2) (resid   48 and name   HA)
assign (resid   65 and name  HD2) (resid   48 and name   HA) 3.828 1.832 1.832 !13Cnoesy, no=1260, id=1122, vol=5.496900e+01
    or (resid   65 and name  HD1) (resid   48 and name   HA)
assign (resid   48 and name   HA) (resid   47 and name   HA) 3.573 1.596 1.596 !13Cnoesy, no=1262, id=1124, vol=5.502800e+01
assign (resid    4 and name   HA) (resid   34 and name  HB2) 4.246 2.254 2.254 !13Cnoesy, no=1264, id=1126, vol=5.511900e+01
assign (resid    4 and name   HA) (resid   24 and name  HD1) 4.185 2.189 2.189 !13Cnoesy, no=1266, id=1128, vol=5.511200e+01
assign (resid   36 and name   HA) (resid   19 and name HG21) 3.755 1.763 1.763 !13Cnoesy, no=1272, id=1134, vol=5.569500e+01
    or (resid   36 and name   HA) (resid   19 and name HG22)
    or (resid   36 and name   HA) (resid   19 and name HG23)
assign (resid   68 and name   HA) (resid   71 and name  HD2) 3.461 3.461 2.539 !13Cnoesy, no=1274, id=1136, vol=5.621200e+01
assign (resid   39 and name   HA) (resid   42 and name   HA) 3.054 3.054 2.946 !13Cnoesy, no=1277, id=1139, vol=5.597800e+01
assign (resid   39 and name   HA) (resid   45 and name  HB2) 3.477 1.511 1.511 !13Cnoesy, no=1280, id=1141, vol=5.602400e+01
    or (resid   39 and name   HA) (resid   45 and name  HB1)
    or (resid   39 and name   HA) (resid   45 and name  HB3)
assign (resid   39 and name   HA) (resid   42 and name  HB1) 2.753 0.948 0.948 !13Cnoesy, no=1281, id=1142, vol=5.606700e+01
assign (resid   72 and name   HA) (resid   71 and name  HD2) 3.563 3.563 2.837 !13Cnoesy, no=1282, id=1143, vol=5.633900e+01
assign (resid   72 and name   HA) (resid   72 and name  HB2) 2.305 0.664 0.664 !13Cnoesy, no=1285, id=1145, vol=5.641500e+01
assign (resid   75 and name   HA) (resid   75 and name   HG) 2.055 0.528 0.528 !13Cnoesy, no=1288, id=1148, vol=5.579300e+01
assign (resid    7 and name   HA) (resid    6 and name  HA2) 3.485 1.518 1.518 !13Cnoesy, no=1290, id=1150, vol=5.606900e+01
    or (resid    7 and name   HA) (resid    6 and name  HA1)
assign (resid    7 and name   HA) (resid    7 and name  HE2) 3.527 1.555 1.555 !13Cnoesy, no=1291, id=1151, vol=5.611900e+01
assign (resid   78 and name   HA) (resid   78 and name  HD2) 2.595 0.842 1.042 !13Cnoesy, no=1294, id=1154, vol=5.615600e+01
    or (resid   78 and name   HA) (resid   78 and name  HD1)
assign (resid   68 and name   HA) (resid   68 and name  HB2) 1.972 0.486 0.486 !13Cnoesy, no=1297, id=1157, vol=5.620700e+01
    or (resid   68 and name   HA) (resid   68 and name  HB1)
assign (resid   33 and name  HG2) (resid   33 and name   HA) 2.791 0.974 0.974 !13Cnoesy, no=1298, id=1158, vol=5.716000e+01
assign (resid   41 and name  HG2) (resid   33 and name   HA) 2.430 0.738 0.738 !13Cnoesy, no=1300, id=1160, vol=5.718600e+01
assign (resid   33 and name   HA) (resid   38 and name  HA2) 3.219 1.295 1.295 !13Cnoesy, no=1302, id=1162, vol=5.716400e+01
assign (resid   33 and name   HA) (resid   41 and name  HB1) 3.358 1.409 1.409 !13Cnoesy, no=1304, id=1164, vol=5.709500e+01
assign (resid   33 and name   HA) (resid   41 and name  HG1) 2.872 1.031 1.031 !13Cnoesy, no=1305, id=1165, vol=5.712900e+01
assign (resid   26 and name  HD2) (resid   26 and name   HA) 2.707 0.916 1.116 !13Cnoesy, no=1306, id=1166, vol=5.756000e+01
    or (resid   26 and name  HD1) (resid   26 and name   HA)
assign (resid   26 and name  HB1) (resid   26 and name   HA) 2.286 0.653 0.653 !13Cnoesy, no=1307, id=1167, vol=5.759900e+01
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.593 0.841 0.841 !13Cnoesy, no=1308, id=1168, vol=5.755000e+01
    or (resid   26 and name  HG1) (resid   26 and name   HA)
assign (resid   26 and name   HA) (resid   66 and name   HA) 3.583 1.604 1.604 !13Cnoesy, no=1310, id=1170, vol=5.745000e+01
assign (resid   26 and name   HA) (resid   27 and name  HD1) 3.812 1.817 1.817 !13Cnoesy, no=1312, id=1171, vol=5.762900e+01
assign (resid   67 and name  HB2) (resid   67 and name   HA) 2.050 0.525 0.525 !13Cnoesy, no=1314, id=1173, vol=5.768600e+01
    or (resid   67 and name  HB1) (resid   67 and name   HA)
assign (resid   70 and name  HB1) (resid   67 and name   HA) 2.543 0.808 0.808 !13Cnoesy, no=1315, id=1174, vol=5.766200e+01
assign (resid   74 and name   HA) (resid   74 and name  HE2) 3.383 1.431 1.431 !13Cnoesy, no=1316, id=1175, vol=5.762300e+01
assign (resid   11 and name  HG2) (resid   11 and name  HD2) 1.998 0.499 0.499 !13Cnoesy, no=1324, id=1182, vol=4.971900e+01
    or (resid   11 and name  HG2) (resid   11 and name  HD1)
    or (resid   11 and name  HG1) (resid   11 and name  HD2)
    or (resid   11 and name  HG1) (resid   11 and name  HD1)
assign (resid   11 and name  HD2) (resid    8 and name HG21) 4.351 2.367 2.367 !13Cnoesy, no=1326, id=1184, vol=4.969200e+01
    or (resid   11 and name  HD2) (resid    8 and name HG22)
    or (resid   11 and name  HD2) (resid    8 and name HG23)
    or (resid   11 and name  HD1) (resid    8 and name HG21)
    or (resid   11 and name  HD1) (resid    8 and name HG22)
    or (resid   11 and name  HD1) (resid    8 and name HG23)
assign (resid   38 and name  HA1) (resid   41 and name  HG1) 4.032 2.032 2.032 !13Cnoesy, no=1330, id=1188, vol=4.611700e+01
assign (resid   33 and name   HA) (resid   38 and name  HA1) 3.200 1.280 1.280 !13Cnoesy, no=1331, id=1189, vol=4.614600e+01
assign (resid   18 and name  HA2) (resid   19 and name HG21) 3.439 1.478 1.478 !13Cnoesy, no=1332, id=1190, vol=4.559800e+01
    or (resid   18 and name  HA2) (resid   19 and name HG22)
    or (resid   18 and name  HA2) (resid   19 and name HG23)
assign (resid   19 and name HG21) (resid   18 and name  HA1) 3.518 1.547 1.547 !13Cnoesy, no=1333, id=1191, vol=4.560100e+01
    or (resid   19 and name HG22) (resid   18 and name  HA1)
    or (resid   19 and name HG23) (resid   18 and name  HA1)
assign (resid   31 and name  HA2) (resid   66 and name HG12) 3.949 2.051 2.751 !13Cnoesy, no=1334, id=1192, vol=4.523600e+01
    or (resid   31 and name  HA2) (resid   66 and name HG11)
    or (resid   31 and name  HA2) (resid   66 and name HG13)
assign (resid   46 and name  HA2) (resid   46 and name  HA1) 2.096 0.549 0.549 !13Cnoesy, no=1337, id=1195, vol=4.474600e+01
assign (resid   13 and name  HB2) (resid   22 and name  HB2) 3.196 1.277 1.277 !13Cnoesy, no=1341, id=1197, vol=4.313200e+01
    or (resid   13 and name  HB1) (resid   22 and name  HB2)
assign (resid   34 and name  HB2) (resid   27 and name  HE3) 3.518 1.547 1.547 !13Cnoesy, no=1345, id=1201, vol=4.349700e+01
assign (resid   74 and name  HE1) (resid   27 and name  HD1) 4.079 2.080 2.080 !13Cnoesy, no=1349, id=1205, vol=4.146500e+01
assign (resid   72 and name  HB2) (resid   72 and name HD12) 2.108 0.556 0.556 !13Cnoesy, no=1351, id=1207, vol=4.183800e+01
    or (resid   72 and name  HB2) (resid   72 and name HD11)
    or (resid   72 and name  HB2) (resid   72 and name HD13)
assign (resid   28 and name HD12) (resid   23 and name   HB) 3.228 1.302 1.302 !13Cnoesy, no=1357, id=1212, vol=3.410700e+01
    or (resid   28 and name HD11) (resid   23 and name   HB)
    or (resid   28 and name HD13) (resid   23 and name   HB)
assign (resid   43 and name   HA) (resid   47 and name  HB2) 3.691 1.703 1.703 !13Cnoesy, no=1359, id=1214, vol=3.412800e+01
assign (resid   47 and name  HB2) (resid   29 and name  HB1) 3.573 3.573 2.427 !13Cnoesy, no=1362, id=1217, vol=3.413300e+01
assign (resid   49 and name  HE1) (resid   47 and name  HB1) 3.656 1.671 1.671 !13Cnoesy, no=1363, id=1218, vol=3.419300e+01
    or (resid   49 and name  HE2) (resid   47 and name  HB1)
assign (resid   24 and name  HB2) (resid   24 and name  HB1) 2.187 0.598 0.598 !13Cnoesy, no=1370, id=1225, vol=3.224300e+01
assign (resid   24 and name  HG2) (resid   24 and name  HB1) 2.766 0.956 0.956 !13Cnoesy, no=1371, id=1226, vol=3.221300e+01
assign (resid   24 and name   HA) (resid   24 and name  HB1) 2.498 0.780 0.780 !13Cnoesy, no=1372, id=1227, vol=3.227300e+01
assign (resid   24 and name  HB1) (resid   73 and name  HG2) 3.091 1.194 1.194 !13Cnoesy, no=1374, id=1228, vol=3.228600e+01
assign (resid   24 and name  HB1) (resid   24 and name  HD1) 3.192 1.273 1.273 !13Cnoesy, no=1375, id=1229, vol=3.228100e+01
assign (resid   13 and name   HA) (resid   24 and name  HB1) 3.299 1.361 1.361 !13Cnoesy, no=1377, id=1231, vol=3.216800e+01
assign (resid   17 and name  HB2) (resid   17 and name  HB1) 1.974 0.487 0.487 !13Cnoesy, no=1378, id=1232, vol=3.208700e+01
assign (resid   17 and name  HD2) (resid   17 and name  HB1) 3.070 1.178 1.178 !13Cnoesy, no=1380, id=1233, vol=3.209300e+01
assign (resid   17 and name   HA) (resid   17 and name  HB1) 2.272 0.645 0.645 !13Cnoesy, no=1381, id=1234, vol=3.210300e+01
assign (resid   17 and name  HB1) (resid   18 and name  HA2) 3.403 1.448 1.748 !13Cnoesy, no=1382, id=1235, vol=3.212600e+01
assign (resid   17 and name  HB1) (resid   16 and name   HA) 3.417 1.460 1.910 !13Cnoesy, no=1383, id=1236, vol=3.211200e+01
assign (resid   44 and name  HB2) (resid   17 and name  HB1) 4.104 2.105 2.105 !13Cnoesy, no=1384, id=1237, vol=3.207700e+01
    or (resid   44 and name  HB1) (resid   17 and name  HB1)
    or (resid   44 and name  HB3) (resid   17 and name  HB1)
assign (resid   16 and name  HB1) (resid   35 and name   HA) 3.573 1.596 1.596 !13Cnoesy, no=1385, id=1238, vol=3.609200e+01
assign (resid   16 and name  HB2) (resid   35 and name   HA) 3.828 1.832 1.832 !13Cnoesy, no=1386, id=1239, vol=3.609400e+01
assign (resid   41 and name   HA) (resid   41 and name  HG1) 3.510 1.540 1.540 !13Cnoesy, no=1390, id=1243, vol=3.686600e+01
assign (resid   33 and name  HG2) (resid   41 and name  HG2) 3.679 1.692 1.692 !13Cnoesy, no=1394, id=1247, vol=3.689000e+01
assign (resid   16 and name   HA) (resid   35 and name  HB1) 4.079 2.080 2.080 !13Cnoesy, no=1401, id=1254, vol=3.797100e+01
assign (resid   42 and name   HA) (resid   43 and name   HB) 3.679 1.692 1.692 !13Cnoesy, no=1403, id=1256, vol=3.813300e+01
assign (resid   48 and name   HA) (resid   49 and name  HB1) 3.798 1.803 1.803 !13Cnoesy, no=1405, id=1258, vol=3.879800e+01
assign (resid   50 and name  HB2) (resid   43 and name HD12) 3.431 1.472 1.472 !13Cnoesy, no=1409, id=1262, vol=3.882500e+01
    or (resid   50 and name  HB2) (resid   43 and name HD11)
    or (resid   50 and name  HB2) (resid   43 and name HD13)
assign (resid   49 and name  HE1) (resid   50 and name  HB2) 3.783 3.783 2.217 !13Cnoesy, no=1410, id=1263, vol=3.882300e+01
    or (resid   49 and name  HE2) (resid   50 and name  HB2)
assign (resid   49 and name  HD1) (resid   50 and name  HB2) 4.130 2.132 2.132 !13Cnoesy, no=1411, id=1264, vol=3.894100e+01
    or (resid   49 and name  HD2) (resid   50 and name  HB2)
assign (resid   50 and name  HB1) (resid   49 and name  HD1) 3.812 1.817 1.817 !13Cnoesy, no=1412, id=1265, vol=3.891200e+01
    or (resid   50 and name  HB1) (resid   49 and name  HD2)
assign (resid   50 and name  HB1) (resid   49 and name  HE1) 3.949 3.949 2.441 !13Cnoesy, no=1413, id=1266, vol=3.882600e+01
    or (resid   50 and name  HB1) (resid   49 and name  HE2)
assign (resid   50 and name  HB1) (resid   42 and name  HB2) 3.860 1.862 2.062 !13Cnoesy, no=1414, id=1267, vol=3.891900e+01
assign (resid   50 and name  HB2) (resid   49 and name  HB1) 3.828 3.828 2.332 !13Cnoesy, no=1417, id=1270, vol=3.891200e+01
assign (resid    5 and name  HG2) (resid    5 and name  HB2) 1.917 0.460 0.460 !13Cnoesy, no=1418, id=1271, vol=3.043000e+01
    or (resid    5 and name  HG1) (resid    5 and name  HB2)
assign (resid    5 and name  HG2) (resid    5 and name  HB1) 1.989 0.495 0.495 !13Cnoesy, no=1420, id=1272, vol=3.046900e+01
    or (resid    5 and name  HG1) (resid    5 and name  HB1)
assign (resid   38 and name  HA2) (resid   33 and name  HD2) 2.647 0.876 0.876 !13Cnoesy, no=1421, id=1273, vol=2.947600e+01
    or (resid   38 and name  HA2) (resid   33 and name  HD1)
assign (resid   38 and name  HA1) (resid   33 and name  HD2) 2.591 0.839 0.839 !13Cnoesy, no=1422, id=1274, vol=2.947600e+01
    or (resid   38 and name  HA1) (resid   33 and name  HD1)
assign (resid   33 and name   HA) (resid   33 and name  HD2) 2.647 2.647 3.353 !13Cnoesy, no=1423, id=1275, vol=2.948400e+01
    or (resid   33 and name   HA) (resid   33 and name  HD1)
assign (resid   33 and name  HD2) (resid   37 and name   HA) 3.742 1.750 1.750 !13Cnoesy, no=1424, id=1276, vol=2.947900e+01
    or (resid   33 and name  HD1) (resid   37 and name   HA)
assign (resid   32 and name   HA) (resid   33 and name  HD2) 3.742 1.750 1.750 !13Cnoesy, no=1425, id=1277, vol=2.945600e+01
    or (resid   32 and name   HA) (resid   33 and name  HD1)
assign (resid   33 and name  HB1) (resid   33 and name  HD2) 2.199 0.604 0.604 !13Cnoesy, no=1426, id=1278, vol=2.946700e+01
    or (resid   33 and name  HB1) (resid   33 and name  HD1)
assign (resid   33 and name  HG2) (resid   33 and name  HD2) 2.263 0.640 0.640 !13Cnoesy, no=1427, id=1279, vol=2.948900e+01
    or (resid   33 and name  HG2) (resid   33 and name  HD1)
assign (resid   13 and name   HA) (resid   25 and name  HB1) 3.645 1.661 1.661 !13Cnoesy, no=1428, id=1280, vol=2.921400e+01
assign (resid   25 and name  HB1) (resid   28 and name HD22) 3.014 1.136 1.136 !13Cnoesy, no=1430, id=1282, vol=2.926300e+01
    or (resid   25 and name  HB1) (resid   28 and name HD21)
    or (resid   25 and name  HB1) (resid   28 and name HD23)
assign (resid   71 and name  HE1) (resid   71 and name   HA) 4.579 2.620 2.620 !13Cnoesy, no=1438, id=1290, vol=1.387740e+02
assign (resid   71 and name  HE1) (resid   71 and name  HD2) 4.635 2.686 2.686 !13Cnoesy, no=1439, id=1291, vol=1.387740e+02
assign (resid   16 and name   HA) (resid   14 and name   HZ) 4.478 2.506 2.506 !13Cnoesy, no=1445, id=1296, vol=1.293220e+02
assign (resid   14 and name   HZ) (resid   28 and name HD12) 4.843 2.931 2.931 !13Cnoesy, no=1446, id=1297, vol=1.293760e+02
    or (resid   14 and name   HZ) (resid   28 and name HD11)
    or (resid   14 and name   HZ) (resid   28 and name HD13)
assign (resid   49 and name  HE1) (resid   47 and name  HB2) 3.860 1.862 1.862 !13Cnoesy, no=1462, id=1313, vol=3.413100e+01
    or (resid   49 and name  HE2) (resid   47 and name  HB2)
assign (resid   12 and name  HB2) (resid   13 and name   HA) 3.634 1.651 1.651 !13Cnoesy, no=1465, id=1316, vol=5.766400e+01
    or (resid   12 and name  HB1) (resid   13 and name   HA)
assign (resid   24 and name  HD2) (resid   27 and name  HB1) 4.478 2.506 2.506 !13Cnoesy, no=1468, id=1319, vol=5.012000e+01
assign (resid   47 and name  HB1) (resid   49 and name  HD1) 3.969 1.969 1.969 !13Cnoesy, no=1469, id=1320, vol=3.418800e+01
    or (resid   47 and name  HB1) (resid   49 and name  HD2)
assign (resid   16 and name  HB2) (resid   19 and name HG21) 2.756 2.756 3.244 !13Cnoesy, no=1470, id=1321, vol=2.117100e+01
    or (resid   16 and name  HB2) (resid   19 and name HG22)
    or (resid   16 and name  HB2) (resid   19 and name HG23)
assign (resid   19 and name   HB) (resid   19 and name HG21) 1.844 0.425 0.425 !13Cnoesy, no=1472, id=1323, vol=2.117500e+01
    or (resid   19 and name   HB) (resid   19 and name HG22)
    or (resid   19 and name   HB) (resid   19 and name HG23)
assign (resid   19 and name   HA) (resid   19 and name HG21) 1.961 0.480 0.480 !13Cnoesy, no=1473, id=1324, vol=2.116200e+01
    or (resid   19 and name   HA) (resid   19 and name HG22)
    or (resid   19 and name   HA) (resid   19 and name HG23)
assign (resid   64 and name   HA) (resid   67 and name  HD2) 2.814 0.989 0.989 !13Cnoesy, no=1474, id=1325, vol=5.675200e+01
    or (resid   64 and name   HA) (resid   67 and name  HD1)
assign (resid   27 and name  HZ2) (resid   77 and name   HA) 3.592 1.613 1.613 !13Cnoesy, no=1475, id=1326, vol=5.669800e+01
assign (resid   65 and name  HD2) (resid   28 and name HD22) 2.801 2.801 3.199 !13Cnoesy, no=1478, id=1329, vol=2.465100e+01
    or (resid   65 and name  HD2) (resid   28 and name HD21)
    or (resid   65 and name  HD2) (resid   28 and name HD23)
    or (resid   65 and name  HD1) (resid   28 and name HD22)
    or (resid   65 and name  HD1) (resid   28 and name HD21)
    or (resid   65 and name  HD1) (resid   28 and name HD23)
assign (resid   28 and name HD22) (resid   28 and name  HB2) 2.146 0.576 0.576 !13Cnoesy, no=1479, id=1330, vol=2.465700e+01
    or (resid   28 and name HD21) (resid   28 and name  HB2)
    or (resid   28 and name HD23) (resid   28 and name  HB2)
assign (resid   23 and name   HA) (resid   27 and name  HE3) 3.645 1.661 1.661 !13Cnoesy, no=1481, id=1332, vol=5.783300e+01
assign (resid   23 and name   HA) (resid   27 and name  HZ3) 3.563 1.587 1.587 !13Cnoesy, no=1482, id=1333, vol=5.777700e+01
assign (resid   34 and name   HA) (resid    4 and name HD22) 3.912 1.913 1.913 !13Cnoesy, no=1484, id=1335, vol=5.668500e+01
    or (resid   34 and name   HA) (resid    4 and name HD21)
    or (resid   34 and name   HA) (resid    4 and name HD23)
assign (resid   32 and name  HB2) (resid   30 and name  HB2) 4.391 2.410 2.610 !13Cnoesy, no=1487, id=1338, vol=4.235000e+01
assign (resid   30 and name  HB1) (resid   27 and name  HD1) 4.579 2.620 2.620 !13Cnoesy, no=1488, id=1339, vol=4.181600e+01
assign (resid   33 and name  HG2) (resid   33 and name  HE2) 2.495 0.778 0.778 !13Cnoesy, no=1489, id=1340, vol=4.164000e+01
    or (resid   33 and name  HG2) (resid   33 and name  HE1)
assign (resid   38 and name  HA2) (resid   33 and name  HE2) 2.970 1.102 1.102 !13Cnoesy, no=1493, id=1343, vol=4.162500e+01
    or (resid   38 and name  HA2) (resid   33 and name  HE1)
assign (resid   38 and name  HA1) (resid   33 and name  HE2) 2.838 1.007 1.007 !13Cnoesy, no=1494, id=1344, vol=4.165100e+01
    or (resid   38 and name  HA1) (resid   33 and name  HE1)
assign (resid   40 and name  HB2) (resid   40 and name   HA) 3.105 1.205 1.205 !13Cnoesy, no=1502, id=1352, vol=4.064100e+01
assign (resid   40 and name  HB2) (resid   23 and name HG12) 3.094 3.094 2.906 !13Cnoesy, no=1506, id=1356, vol=4.064600e+01
    or (resid   40 and name  HB2) (resid   23 and name HG11)
    or (resid   40 and name  HB2) (resid   23 and name HG13)
assign (resid   40 and name  HB2) (resid   28 and name HD12) 2.927 1.071 1.071 !13Cnoesy, no=1507, id=1357, vol=4.061700e+01
    or (resid   40 and name  HB2) (resid   28 and name HD11)
    or (resid   40 and name  HB2) (resid   28 and name HD13)
assign (resid    9 and name  HB2) (resid   22 and name   HA) 4.130 2.132 2.132 !13Cnoesy, no=1517, id=1366, vol=3.984800e+01
assign (resid    9 and name  HB2) (resid    8 and name HG21) 4.314 2.327 2.327 !13Cnoesy, no=1518, id=1367, vol=3.986500e+01
    or (resid    9 and name  HB2) (resid    8 and name HG22)
    or (resid    9 and name  HB2) (resid    8 and name HG23)
assign (resid    8 and name HG21) (resid    9 and name  HB1) 4.185 2.189 2.189 !13Cnoesy, no=1519, id=1368, vol=3.988800e+01
    or (resid    8 and name HG22) (resid    9 and name  HB1)
    or (resid    8 and name HG23) (resid    9 and name  HB1)
assign (resid   49 and name  HB1) (resid   48 and name  HB2) 3.877 1.878 1.878 !13Cnoesy, no=1520, id=1369, vol=3.874800e+01
    or (resid   49 and name  HB1) (resid   48 and name  HB1)
assign (resid   48 and name  HB2) (resid   49 and name  HB2) 4.032 2.032 2.032 !13Cnoesy, no=1521, id=1370, vol=3.879800e+01
    or (resid   48 and name  HB1) (resid   49 and name  HB2)
assign (resid   19 and name   HB) (resid   21 and name HG12) 2.124 0.564 0.564 !13Cnoesy, no=1524, id=1373, vol=2.159100e+01
    or (resid   19 and name   HB) (resid   21 and name HG11)
    or (resid   19 and name   HB) (resid   21 and name HG13)
assign (resid   16 and name  HB1) (resid   21 and name HG12) 2.732 0.933 0.933 !13Cnoesy, no=1526, id=1375, vol=2.159000e+01
    or (resid   16 and name  HB1) (resid   21 and name HG11)
    or (resid   16 and name  HB1) (resid   21 and name HG13)
assign (resid   16 and name  HB2) (resid   21 and name HG12) 2.576 0.830 0.830 !13Cnoesy, no=1527, id=1376, vol=2.158900e+01
    or (resid   16 and name  HB2) (resid   21 and name HG11)
    or (resid   16 and name  HB2) (resid   21 and name HG13)
assign (resid   19 and name HG21) (resid   20 and name  HB1) 3.729 3.729 2.271 !13Cnoesy, no=1530, id=1379, vol=2.123400e+01
    or (resid   19 and name HG22) (resid   20 and name  HB1)
    or (resid   19 and name HG23) (resid   20 and name  HB1)
assign (resid   19 and name HG21) (resid   35 and name   HA) 3.860 1.862 1.862 !13Cnoesy, no=1533, id=1382, vol=2.119800e+01
    or (resid   19 and name HG22) (resid   35 and name   HA)
    or (resid   19 and name HG23) (resid   35 and name   HA)
assign (resid   27 and name  HZ2) (resid    7 and name  HB1) 4.130 2.132 2.132 !13Cnoesy, no=1540, id=1388, vol=3.295400e+01
assign (resid   26 and name  HD2) (resid   27 and name   HA) 4.185 2.189 2.189 !13Cnoesy, no=1544, id=1392, vol=4.316700e+01
    or (resid   26 and name  HD1) (resid   27 and name   HA)
assign (resid   49 and name  HD1) (resid   57 and name  HA2) 4.579 2.620 2.620 !13Cnoesy, no=1547, id=1395, vol=4.541500e+01
    or (resid   49 and name  HD1) (resid   57 and name  HA1)
    or (resid   49 and name  HD2) (resid   57 and name  HA2)
    or (resid   49 and name  HD2) (resid   57 and name  HA1)
assign (resid   13 and name  HB2) (resid   14 and name  HD1) 4.526 2.561 2.561 !13Cnoesy, no=1549, id=1397, vol=6.595500e+01
    or (resid   13 and name  HB2) (resid   14 and name  HD2)
    or (resid   13 and name  HB1) (resid   14 and name  HD1)
    or (resid   13 and name  HB1) (resid   14 and name  HD2)
assign (resid   19 and name   HA) (resid   36 and name  HB2) 4.246 2.254 2.254 !13Cnoesy, no=1550, id=1398, vol=6.048200e+01
    or (resid   19 and name   HA) (resid   36 and name  HB1)
    or (resid   19 and name   HA) (resid   36 and name  HB3)
assign (resid   58 and name  HB2) (resid   49 and name  HE1) 3.679 1.692 1.692 !13Cnoesy, no=1552, id=1399, vol=6.367500e+01
    or (resid   58 and name  HB2) (resid   49 and name  HE2)
assign (resid   27 and name  HH2) (resid    7 and name  HE2) 4.766 2.840 2.840 !13Cnoesy, no=1561, id=1408, vol=1.249160e+02
assign (resid   14 and name  HD1) (resid   40 and name  HB1) 3.812 1.817 1.817 !13Cnoesy, no=1563, id=1410, vol=1.322620e+02
    or (resid   14 and name  HD2) (resid   40 and name  HB1)
assign (resid   47 and name  HB2) (resid   28 and name  HB2) 3.812 1.817 1.817 !13Cnoesy, no=1569, id=1416, vol=3.421400e+01
assign (resid   47 and name  HB2) (resid   45 and name  HB2) 3.828 1.832 1.832 !13Cnoesy, no=1570, id=1417, vol=3.425300e+01
    or (resid   47 and name  HB2) (resid   45 and name  HB1)
    or (resid   47 and name  HB2) (resid   45 and name  HB3)
assign (resid   74 and name  HB2) (resid   74 and name   HA) 2.207 0.609 0.609 !13Cnoesy, no=1579, id=1426, vol=3.258100e+01
    or (resid   74 and name  HB1) (resid   74 and name   HA)
assign (resid    9 and name   HA) (resid    8 and name   HA) 3.755 1.763 1.763 !13Cnoesy, no=1585, id=1432, vol=6.164700e+01
assign (resid   24 and name   HA) (resid   27 and name  HD1) 4.433 2.456 2.456 !13Cnoesy, no=1587, id=1434, vol=6.251300e+01
assign (resid   43 and name   HA) (resid   47 and name   HA) 3.645 1.661 1.661 !13Cnoesy, no=1588, id=1435, vol=6.375600e+01
assign (resid   15 and name  HB2) (resid   14 and name  HD1) 4.579 2.620 2.620 !13Cnoesy, no=1590, id=1437, vol=6.341600e+01
    or (resid   15 and name  HB2) (resid   14 and name  HD2)
assign (resid   15 and name  HB1) (resid   14 and name  HD1) 4.843 2.931 2.931 !13Cnoesy, no=1591, id=1438, vol=6.344000e+01
    or (resid   15 and name  HB1) (resid   14 and name  HD2)
assign (resid   36 and name  HB2) (resid   16 and name  HB1) 4.391 2.410 2.410 !13Cnoesy, no=1592, id=1439, vol=3.616100e+01
    or (resid   36 and name  HB1) (resid   16 and name  HB1)
    or (resid   36 and name  HB3) (resid   16 and name  HB1)
assign (resid   17 and name  HD2) (resid   16 and name  HB1) 3.573 1.596 1.596 !13Cnoesy, no=1593, id=1440, vol=3.606700e+01
assign (resid   17 and name  HD2) (resid   16 and name  HB2) 3.603 1.622 1.622 !13Cnoesy, no=1594, id=1441, vol=3.606700e+01
assign (resid   36 and name  HB2) (resid   35 and name  HB1) 4.314 2.327 2.327 !13Cnoesy, no=1598, id=1445, vol=3.794400e+01
    or (resid   36 and name  HB1) (resid   35 and name  HB1)
    or (resid   36 and name  HB3) (resid   35 and name  HB1)
assign (resid   36 and name  HB2) (resid   35 and name  HB2) 4.391 2.410 2.410 !13Cnoesy, no=1599, id=1446, vol=3.798100e+01
    or (resid   36 and name  HB1) (resid   35 and name  HB2)
    or (resid   36 and name  HB3) (resid   35 and name  HB2)
assign (resid   14 and name  HE1) (resid   35 and name  HB1) 4.579 2.620 2.620 !13Cnoesy, no=1603, id=1450, vol=3.798400e+01
    or (resid   14 and name  HE2) (resid   35 and name  HB1)
assign (resid   14 and name   HZ) (resid   35 and name  HB2) 4.478 2.506 2.506 !13Cnoesy, no=1604, id=1451, vol=3.782900e+01
assign (resid   38 and name  HA2) (resid   41 and name  HB1) 4.391 2.410 2.410 !13Cnoesy, no=1606, id=1453, vol=4.611400e+01
assign (resid   38 and name  HA1) (resid   41 and name  HB1) 4.157 2.160 2.160 !13Cnoesy, no=1607, id=1454, vol=4.609200e+01
assign (resid    6 and name  HA2) (resid    5 and name  HB2) 3.518 1.547 1.547 !13Cnoesy, no=1614, id=1461, vol=4.527300e+01
    or (resid    6 and name  HA1) (resid    5 and name  HB2)
assign (resid    5 and name  HG2) (resid    6 and name  HA2) 3.860 1.862 1.862 !13Cnoesy, no=1615, id=1462, vol=4.525900e+01
    or (resid    5 and name  HG2) (resid    6 and name  HA1)
    or (resid    5 and name  HG1) (resid    6 and name  HA2)
    or (resid    5 and name  HG1) (resid    6 and name  HA1)
assign (resid    6 and name  HA2) (resid   24 and name  HD1) 4.185 2.189 2.989 !13Cnoesy, no=1617, id=1464, vol=4.534200e+01
    or (resid    6 and name  HA1) (resid   24 and name  HD1)
assign (resid   31 and name  HA1) (resid   32 and name   HA) 3.894 1.895 1.895 !13Cnoesy, no=1618, id=1465, vol=4.523900e+01
assign (resid   46 and name  HA2) (resid   65 and name  HD2) 4.279 2.289 2.289 !13Cnoesy, no=1625, id=1472, vol=4.488200e+01
    or (resid   46 and name  HA2) (resid   65 and name  HD1)
assign (resid   65 and name  HD2) (resid   46 and name  HA1) 4.079 2.080 2.080 !13Cnoesy, no=1626, id=1473, vol=4.472100e+01
    or (resid   65 and name  HD1) (resid   46 and name  HA1)
assign (resid   45 and name  HB2) (resid   46 and name  HA2) 4.279 2.289 2.289 !13Cnoesy, no=1628, id=1475, vol=4.490600e+01
    or (resid   45 and name  HB1) (resid   46 and name  HA2)
    or (resid   45 and name  HB3) (resid   46 and name  HA2)
assign (resid   24 and name  HD2) (resid   27 and name  HE3) 4.433 2.456 2.456 !13Cnoesy, no=1631, id=1478, vol=5.016400e+01
assign (resid   35 and name   HA) (resid   23 and name   HB) 4.928 3.036 3.036 !13Cnoesy, no=1639, id=1486, vol=5.223500e+01
assign (resid   35 and name   HA) (resid   27 and name  HE3) 4.698 2.759 2.759 !13Cnoesy, no=1640, id=1487, vol=5.237100e+01
assign (resid   38 and name  HA2) (resid   37 and name   HA) 3.729 1.738 1.738 !13Cnoesy, no=1644, id=1490, vol=5.264100e+01
assign (resid   22 and name   HA) (resid   14 and name  HD1) 4.391 2.410 2.410 !13Cnoesy, no=1646, id=1492, vol=5.370700e+01
    or (resid   22 and name   HA) (resid   14 and name  HD2)
assign (resid   28 and name HD12) (resid   41 and name   HA) 4.055 2.056 2.056 !13Cnoesy, no=1649, id=1495, vol=5.416300e+01
    or (resid   28 and name HD11) (resid   41 and name   HA)
    or (resid   28 and name HD13) (resid   41 and name   HA)
assign (resid   29 and name  HB1) (resid   41 and name   HA) 3.518 1.547 1.547 !13Cnoesy, no=1650, id=1496, vol=5.416000e+01
assign (resid   41 and name   HA) (resid   38 and name  HA2) 3.877 1.878 1.878 !13Cnoesy, no=1651, id=1497, vol=5.403800e+01
assign (resid   29 and name   HA) (resid   41 and name  HB2) 3.545 1.571 1.671 !13Cnoesy, no=1653, id=1499, vol=5.436700e+01
assign (resid   44 and name   HA) (resid   43 and name HG12) 3.812 1.817 1.817 !13Cnoesy, no=1654, id=1500, vol=5.456200e+01
assign (resid   43 and name   HB) (resid   48 and name   HA) 4.010 2.010 2.010 !13Cnoesy, no=1661, id=1507, vol=5.502100e+01
assign (resid   75 and name   HA) (resid   74 and name  HG2) 3.828 1.832 2.532 !13Cnoesy, no=1663, id=1509, vol=5.580500e+01
assign (resid   21 and name   HB) (resid   20 and name   HA) 3.798 1.803 1.903 !13Cnoesy, no=1667, id=1513, vol=5.591900e+01
assign (resid   21 and name   HA) (resid   20 and name   HA) 4.104 2.105 2.105 !13Cnoesy, no=1668, id=1514, vol=5.591900e+01
assign (resid    7 and name   HA) (resid    8 and name HG21) 3.150 1.240 1.240 !13Cnoesy, no=1669, id=1515, vol=5.602300e+01
    or (resid    7 and name   HA) (resid    8 and name HG22)
    or (resid    7 and name   HA) (resid    8 and name HG23)
assign (resid    7 and name   HA) (resid   27 and name  HZ2) 4.314 2.327 2.327 !13Cnoesy, no=1671, id=1517, vol=5.602300e+01
assign (resid   72 and name   HA) (resid   71 and name   HA) 3.798 1.803 1.803 !13Cnoesy, no=1672, id=1518, vol=5.644100e+01
assign (resid   41 and name   HA) (resid   33 and name   HA) 3.679 1.692 1.692 !13Cnoesy, no=1673, id=1519, vol=5.716700e+01
assign (resid   25 and name  HG2) (resid   26 and name   HA) 3.377 1.425 1.425 !13Cnoesy, no=1676, id=1522, vol=5.760000e+01
    or (resid   25 and name  HG1) (resid   26 and name   HA)
assign (resid   39 and name   HA) (resid   17 and name  HB1) 3.703 1.714 2.464 !13Cnoesy, no=1678, id=1524, vol=5.619900e+01
assign (resid   77 and name  HE1) (resid   77 and name   HA) 3.545 1.571 1.571 !13Cnoesy, no=1679, id=1525, vol=5.670700e+01
assign (resid   14 and name   HA) (resid   25 and name   HA) 4.130 2.132 2.132 !13Cnoesy, no=1685, id=1531, vol=5.631400e+01
assign (resid   67 and name  HB2) (resid   64 and name   HA) 2.340 0.685 0.685 !13Cnoesy, no=1687, id=1533, vol=5.681700e+01
    or (resid   67 and name  HB1) (resid   64 and name   HA)
assign (resid   42 and name   HA) (resid   50 and name  HB2) 4.157 2.160 2.160 !13Cnoesy, no=1691, id=1537, vol=5.741800e+01
assign (resid   13 and name   HA) (resid   28 and name HD22) 3.894 1.895 1.895 !13Cnoesy, no=1694, id=1540, vol=5.769600e+01
    or (resid   13 and name   HA) (resid   28 and name HD21)
    or (resid   13 and name   HA) (resid   28 and name HD23)
assign (resid   49 and name   HA) (resid   43 and name HG12) 3.894 1.895 1.895 !13Cnoesy, no=1698, id=1544, vol=5.739200e+01
assign (resid   49 and name   HA) (resid   43 and name   HB) 3.656 1.671 1.671 !13Cnoesy, no=1699, id=1545, vol=5.734900e+01
assign (resid   50 and name  HB2) (resid   49 and name   HA) 3.656 1.671 1.671 !13Cnoesy, no=1700, id=1546, vol=5.745200e+01
assign (resid   22 and name   HA) (resid   23 and name   HA) 4.526 2.561 2.561 !13Cnoesy, no=1701, id=1547, vol=5.776500e+01
assign (resid   13 and name  HB2) (resid   23 and name   HA) 3.949 1.949 1.949 !13Cnoesy, no=1702, id=1548, vol=5.776300e+01
    or (resid   13 and name  HB1) (resid   23 and name   HA)
assign (resid   23 and name   HA) (resid   28 and name HD12) 4.391 2.410 2.410 !13Cnoesy, no=1704, id=1550, vol=5.790000e+01
    or (resid   23 and name   HA) (resid   28 and name HD11)
    or (resid   23 and name   HA) (resid   28 and name HD13)
assign (resid   63 and name   HA) (resid   29 and name  HB2) 4.104 2.105 2.105 !13Cnoesy, no=1707, id=1553, vol=5.784100e+01
assign (resid   74 and name   HA) (resid   74 and name  HG2) 2.591 0.839 0.839 !13Cnoesy, no=1708, id=1554, vol=5.755600e+01
assign (resid   74 and name   HA) (resid   74 and name  HD1) 2.280 0.650 0.650 !13Cnoesy, no=1709, id=1555, vol=5.755600e+01
assign (resid   74 and name   HA) (resid   27 and name  HZ2) 4.215 2.221 2.221 !13Cnoesy, no=1713, id=1559, vol=5.747700e+01
assign (resid   74 and name   HA) (resid   27 and name  HH2) 4.215 2.221 2.221 !13Cnoesy, no=1714, id=1560, vol=5.755600e+01
assign (resid   11 and name  HD2) (resid   12 and name   HA) 3.969 1.969 2.069 !13Cnoesy, no=1719, id=1565, vol=5.811100e+01
    or (resid   11 and name  HD1) (resid   12 and name   HA)
assign (resid   44 and name   HA) (resid   43 and name HG22) 2.344 0.687 0.687 !13Cnoesy, no=1722, id=1568, vol=1.748200e+01
    or (resid   44 and name   HA) (resid   43 and name HG21)
    or (resid   44 and name   HA) (resid   43 and name HG23)
assign (resid   66 and name HG12) (resid   29 and name   HA) 3.485 1.518 1.518 !13Cnoesy, no=1726, id=1572, vol=2.115500e+01
    or (resid   66 and name HG11) (resid   29 and name   HA)
    or (resid   66 and name HG13) (resid   29 and name   HA)
assign (resid   48 and name HD12) (resid   48 and name   HA) 1.787 0.399 0.399 !13Cnoesy, no=1732, id=1578, vol=2.353600e+01
    or (resid   48 and name HD11) (resid   48 and name   HA)
    or (resid   48 and name HD13) (resid   48 and name   HA)
assign (resid   65 and name  HD2) (resid   48 and name HD12) 2.942 1.082 1.082 !13Cnoesy, no=1734, id=1580, vol=2.366100e+01
    or (resid   65 and name  HD2) (resid   48 and name HD11)
    or (resid   65 and name  HD2) (resid   48 and name HD13)
    or (resid   65 and name  HD1) (resid   48 and name HD12)
    or (resid   65 and name  HD1) (resid   48 and name HD11)
    or (resid   65 and name  HD1) (resid   48 and name HD13)
assign (resid   46 and name  HA2) (resid   48 and name HD12) 3.328 1.384 1.384 !13Cnoesy, no=1735, id=1581, vol=2.366100e+01
    or (resid   46 and name  HA2) (resid   48 and name HD11)
    or (resid   46 and name  HA2) (resid   48 and name HD13)
assign (resid   48 and name HD12) (resid   49 and name  HD1) 3.679 1.692 1.692 !13Cnoesy, no=1738, id=1584, vol=2.366100e+01
    or (resid   48 and name HD12) (resid   49 and name  HD2)
    or (resid   48 and name HD11) (resid   49 and name  HD1)
    or (resid   48 and name HD11) (resid   49 and name  HD2)
    or (resid   48 and name HD13) (resid   49 and name  HD1)
    or (resid   48 and name HD13) (resid   49 and name  HD2)
assign (resid   72 and name HD12) (resid   76 and name  HB2) 2.288 0.655 0.655 !13Cnoesy, no=1742, id=1588, vol=2.317000e+01
    or (resid   72 and name HD11) (resid   76 and name  HB2)
    or (resid   72 and name HD13) (resid   76 and name  HB2)
assign (resid   72 and name   HA) (resid   72 and name HD12) 1.783 0.397 0.947 !13Cnoesy, no=1743, id=1589, vol=2.306600e+01
    or (resid   72 and name   HA) (resid   72 and name HD11)
    or (resid   72 and name   HA) (resid   72 and name HD13)
assign (resid   28 and name HD22) (resid   40 and name  HB2) 2.799 2.799 3.201 !13Cnoesy, no=1745, id=1591, vol=2.461900e+01
    or (resid   28 and name HD21) (resid   40 and name  HB2)
    or (resid   28 and name HD23) (resid   40 and name  HB2)
assign (resid   28 and name HD22) (resid   14 and name  HE1) 3.051 3.051 2.949 !13Cnoesy, no=1746, id=1592, vol=2.461900e+01
    or (resid   28 and name HD22) (resid   14 and name  HE2)
    or (resid   28 and name HD21) (resid   14 and name  HE1)
    or (resid   28 and name HD21) (resid   14 and name  HE2)
    or (resid   28 and name HD23) (resid   14 and name  HE1)
    or (resid   28 and name HD23) (resid   14 and name  HE2)
assign (resid    4 and name HD22) (resid   23 and name   HB) 2.972 1.104 1.104 !13Cnoesy, no=1749, id=1595, vol=2.461900e+01
    or (resid    4 and name HD21) (resid   23 and name   HB)
    or (resid    4 and name HD23) (resid   23 and name   HB)
assign (resid   61 and name   HA) (resid   64 and name HD22) 1.938 0.469 0.469 !13Cnoesy, no=1750, id=1596, vol=2.461900e+01
    or (resid   61 and name   HA) (resid   64 and name HD21)
    or (resid   61 and name   HA) (resid   64 and name HD23)
assign (resid   74 and name  HG1) (resid   74 and name   HA) 2.776 0.963 0.963 !13Cnoesy, no=1755, id=1601, vol=2.493000e+01
assign (resid   77 and name  HG2) (resid   77 and name  HE1) 2.724 0.927 0.927 !13Cnoesy, no=1757, id=1603, vol=2.500800e+01
assign (resid   24 and name  HG1) (resid   73 and name  HG2) 3.370 1.420 1.620 !13Cnoesy, no=1761, id=1607, vol=2.649900e+01
assign (resid   40 and name  HB1) (resid   28 and name   HG) 3.844 1.847 1.847 !13Cnoesy, no=1764, id=1610, vol=2.671500e+01
assign (resid   11 and name  HG2) (resid    8 and name HG21) 4.185 2.189 2.189 !13Cnoesy, no=1765, id=1611, vol=2.740900e+01
    or (resid   11 and name  HG2) (resid    8 and name HG22)
    or (resid   11 and name  HG2) (resid    8 and name HG23)
    or (resid   11 and name  HG1) (resid    8 and name HG21)
    or (resid   11 and name  HG1) (resid    8 and name HG22)
    or (resid   11 and name  HG1) (resid    8 and name HG23)
assign (resid   46 and name  HA2) (resid   43 and name HG11) 4.433 2.456 2.456 !13Cnoesy, no=1771, id=1617, vol=2.836800e+01
assign (resid   25 and name  HB1) (resid   28 and name HD12) 4.079 2.080 2.080 !13Cnoesy, no=1772, id=1618, vol=2.927400e+01
    or (resid   25 and name  HB1) (resid   28 and name HD11)
    or (resid   25 and name  HB1) (resid   28 and name HD13)
assign (resid   25 and name  HG2) (resid   25 and name  HB1) 2.173 0.590 0.590 !13Cnoesy, no=1773, id=1619, vol=2.918700e+01
    or (resid   25 and name  HG1) (resid   25 and name  HB1)
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.574 0.828 0.828 !13Cnoesy, no=1774, id=1620, vol=2.918700e+01
assign (resid   13 and name  HB2) (resid   25 and name  HB1) 4.246 2.254 2.254 !13Cnoesy, no=1775, id=1621, vol=2.925300e+01
    or (resid   13 and name  HB1) (resid   25 and name  HB1)
assign (resid   74 and name  HD2) (resid   74 and name  HE2) 3.138 1.231 1.231 !13Cnoesy, no=1777, id=1623, vol=2.905200e+01
assign (resid   41 and name  HG1) (resid   33 and name  HD2) 3.844 1.847 1.847 !13Cnoesy, no=1780, id=1626, vol=2.946600e+01
    or (resid   41 and name  HG1) (resid   33 and name  HD1)
assign (resid   41 and name  HB1) (resid   33 and name  HD2) 3.969 1.969 1.969 !13Cnoesy, no=1781, id=1627, vol=2.946600e+01
    or (resid   41 and name  HB1) (resid   33 and name  HD1)
assign (resid   33 and name  HE2) (resid   33 and name  HB1) 3.257 1.326 1.326 !13Cnoesy, no=1783, id=1629, vol=3.057600e+01
    or (resid   33 and name  HE1) (resid   33 and name  HB1)
assign (resid   33 and name  HB2) (resid   33 and name  HE2) 3.403 1.448 1.448 !13Cnoesy, no=1786, id=1632, vol=3.060500e+01
    or (resid   33 and name  HB2) (resid   33 and name  HE1)
assign (resid   33 and name  HB2) (resid   33 and name  HG2) 2.851 1.016 1.016 !13Cnoesy, no=1787, id=1633, vol=3.054800e+01
assign (resid   41 and name  HB1) (resid   49 and name  HE1) 4.579 2.620 2.620 !13Cnoesy, no=1790, id=1636, vol=3.055600e+01
    or (resid   41 and name  HB1) (resid   49 and name  HE2)
assign (resid   10 and name  HA2) (resid   11 and name  HB1) 3.200 3.200 2.800 !13Cnoesy, no=1793, id=1639, vol=3.212600e+01
    or (resid   10 and name  HA1) (resid   11 and name  HB1)
assign (resid   14 and name  HE1) (resid   17 and name  HB1) 4.478 2.506 2.506 !13Cnoesy, no=1794, id=1640, vol=3.212000e+01
    or (resid   14 and name  HE2) (resid   17 and name  HB1)
assign (resid   17 and name  HB1) (resid   14 and name   HZ) 4.246 2.254 2.254 !13Cnoesy, no=1795, id=1641, vol=3.216500e+01
assign (resid   13 and name  HB2) (resid   24 and name  HB1) 3.613 1.632 1.632 !13Cnoesy, no=1796, id=1642, vol=3.231200e+01
    or (resid   13 and name  HB1) (resid   24 and name  HB1)
assign (resid   24 and name  HB1) (resid   27 and name  HD1) 3.877 1.878 1.878 !13Cnoesy, no=1797, id=1643, vol=3.224900e+01
assign (resid   24 and name  HB1) (resid   24 and name  HD2) 3.310 1.370 1.370 !13Cnoesy, no=1798, id=1644, vol=3.222900e+01
assign (resid   23 and name   HB) (resid   16 and name  HB1) 4.246 2.254 2.254 !13Cnoesy, no=1802, id=1648, vol=3.411700e+01
assign (resid   45 and name  HB2) (resid   47 and name  HB1) 4.185 2.189 2.189 !13Cnoesy, no=1804, id=1650, vol=3.429400e+01
    or (resid   45 and name  HB1) (resid   47 and name  HB1)
    or (resid   45 and name  HB3) (resid   47 and name  HB1)
assign (resid   29 and name  HB2) (resid   49 and name  HE1) 4.215 2.221 2.221 !13Cnoesy, no=1805, id=1651, vol=3.427800e+01
    or (resid   29 and name  HB2) (resid   49 and name  HE2)
assign (resid   29 and name  HB2) (resid   49 and name  HD1) 4.526 2.561 2.561 !13Cnoesy, no=1808, id=1654, vol=3.437800e+01
    or (resid   29 and name  HB2) (resid   49 and name  HD2)
assign (resid   14 and name  HE1) (resid   16 and name  HB1) 4.246 2.254 2.254 !13Cnoesy, no=1810, id=1656, vol=3.607500e+01
    or (resid   14 and name  HE2) (resid   16 and name  HB1)
assign (resid   50 and name  HB1) (resid   43 and name   HB) 4.526 2.561 2.561 !13Cnoesy, no=1814, id=1660, vol=3.895100e+01
assign (resid   50 and name  HB1) (resid   41 and name  HB2) 4.635 2.686 2.686 !13Cnoesy, no=1816, id=1662, vol=3.884800e+01
assign (resid   50 and name  HB2) (resid   43 and name   HB) 4.351 2.367 2.367 !13Cnoesy, no=1819, id=1665, vol=3.879200e+01
assign (resid    9 and name  HB1) (resid   10 and name  HA2) 4.579 2.620 2.620 !13Cnoesy, no=1822, id=1668, vol=3.987100e+01
    or (resid    9 and name  HB1) (resid   10 and name  HA1)
assign (resid    9 and name  HB2) (resid   10 and name  HA2) 4.478 2.506 2.506 !13Cnoesy, no=1823, id=1669, vol=3.971700e+01
    or (resid    9 and name  HB2) (resid   10 and name  HA1)
assign (resid   26 and name   HA) (resid   28 and name  HB1) 4.157 2.160 2.160 !13Cnoesy, no=1824, id=1670, vol=4.014500e+01
!assign (resid   46 and name  HA2) (resid   28 and name  HB2) 4.279 2.289 3.189 !13Cnoesy, no=1831, id=1677, vol=4.030300e+01
assign (resid   28 and name  HB2) (resid   40 and name  HB1) 4.010 2.010 2.210 !13Cnoesy, no=1832, id=1678, vol=4.017900e+01
assign (resid   28 and name  HB1) (resid   25 and name  HG2) 4.157 2.160 2.160 !13Cnoesy, no=1833, id=1679, vol=4.017900e+01
    or (resid   28 and name  HB1) (resid   25 and name  HG1)
assign (resid   14 and name  HE1) (resid   40 and name  HB2) 3.894 1.895 1.895 !13Cnoesy, no=1835, id=1681, vol=4.064900e+01
    or (resid   14 and name  HE2) (resid   40 and name  HB2)
assign (resid   40 and name  HB2) (resid   14 and name  HD1) 4.079 2.080 2.080 !13Cnoesy, no=1836, id=1682, vol=4.057900e+01
    or (resid   40 and name  HB2) (resid   14 and name  HD2)
assign (resid   40 and name  HB1) (resid   14 and name  HE1) 4.010 2.010 2.010 !13Cnoesy, no=1837, id=1683, vol=4.059400e+01
    or (resid   40 and name  HB1) (resid   14 and name  HE2)
assign (resid   40 and name  HB1) (resid   28 and name HD22) 4.055 2.056 2.056 !13Cnoesy, no=1841, id=1687, vol=4.072900e+01
    or (resid   40 and name  HB1) (resid   28 and name HD21)
    or (resid   40 and name  HB1) (resid   28 and name HD23)
assign (resid   77 and name  HG1) (resid   77 and name  HE1) 2.812 0.988 0.988 !13Cnoesy, no=1847, id=1693, vol=4.142200e+01
assign (resid   77 and name  HE1) (resid    6 and name  HA2) 3.912 1.913 1.913 !13Cnoesy, no=1848, id=1694, vol=4.115100e+01
    or (resid   77 and name  HE1) (resid    6 and name  HA1)
assign (resid   74 and name  HE1) (resid   30 and name  HB2) 3.949 1.949 1.949 !13Cnoesy, no=1850, id=1696, vol=4.142200e+01
assign (resid   33 and name  HE2) (resid   41 and name  HB1) 3.912 1.913 1.913 !13Cnoesy, no=1853, id=1699, vol=4.169000e+01
    or (resid   33 and name  HE1) (resid   41 and name  HB1)
assign (resid   27 and name  HD1) (resid   30 and name  HB2) 4.478 2.506 2.506 !13Cnoesy, no=1857, id=1703, vol=4.187600e+01
assign (resid   71 and name  HD2) (resid   72 and name  HB2) 4.433 2.456 2.456 !13Cnoesy, no=1861, id=1707, vol=4.179800e+01
assign (resid   64 and name  HB1) (resid   61 and name HG21) 3.328 1.384 1.384 !13Cnoesy, no=1864, id=1710, vol=4.189400e+01
    or (resid   64 and name  HB1) (resid   61 and name HG22)
    or (resid   64 and name  HB1) (resid   61 and name HG23)
assign (resid   64 and name   HA) (resid   64 and name  HB2) 2.199 0.604 0.604 !13Cnoesy, no=1866, id=1712, vol=4.183600e+01
assign (resid   72 and name  HB1) (resid   71 and name  HD2) 4.032 2.032 2.032 !13Cnoesy, no=1869, id=1715, vol=4.198900e+01
assign (resid   48 and name  HB2) (resid   58 and name   HA) 4.104 2.105 2.105 !13Cnoesy, no=1872, id=1718, vol=4.271400e+01
    or (resid   48 and name  HB1) (resid   58 and name   HA)
assign (resid   34 and name  HB1) (resid   27 and name  HE3) 3.592 1.613 1.613 !13Cnoesy, no=1874, id=1720, vol=4.349300e+01
assign (resid   34 and name  HB1) (resid   23 and name HG22) 2.920 1.066 1.066 !13Cnoesy, no=1878, id=1724, vol=4.346300e+01
    or (resid   34 and name  HB1) (resid   23 and name HG21)
    or (resid   34 and name  HB1) (resid   23 and name HG23)
assign (resid   28 and name HD12) (resid   14 and name  HB2) 3.573 1.596 1.596 !13Cnoesy, no=1880, id=1725, vol=4.326100e+01
    or (resid   28 and name HD11) (resid   14 and name  HB2)
    or (resid   28 and name HD13) (resid   14 and name  HB2)
assign (resid   25 and name  HB2) (resid   12 and name   HA) 3.170 1.256 1.256 !13Cnoesy, no=1885, id=1730, vol=2.924400e+01
assign (resid    7 and name   HA) (resid   27 and name  HH2) 4.526 2.561 2.561 !13Cnoesy, no=1888, id=1733, vol=5.621600e+01
assign (resid   48 and name  HB2) (resid   65 and name  HD2) 4.185 2.189 2.189 !13Cnoesy, no=1891, id=1736, vol=4.267700e+01
    or (resid   48 and name  HB2) (resid   65 and name  HD1)
    or (resid   48 and name  HB1) (resid   65 and name  HD2)
    or (resid   48 and name  HB1) (resid   65 and name  HD1)
assign (resid   71 and name  HD2) (resid   71 and name   HA) 3.026 3.026 2.974 !13Cnoesy, no=1893, id=1738, vol=5.810000e+01
assign (resid   24 and name  HG2) (resid   27 and name  HZ2) 5.273 3.476 3.476 !13Cnoesy, no=1894, id=1739, vol=1.145090e+02
assign (resid   49 and name  HE1) (resid   61 and name HG21) 4.478 2.506 2.506 !13Cnoesy, no=1895, id=1740, vol=2.190900e+01
    or (resid   49 and name  HE1) (resid   61 and name HG22)
    or (resid   49 and name  HE1) (resid   61 and name HG23)
    or (resid   49 and name  HE2) (resid   61 and name HG21)
    or (resid   49 and name  HE2) (resid   61 and name HG22)
    or (resid   49 and name  HE2) (resid   61 and name HG23)
assign (resid   49 and name  HD1) (resid   61 and name HG21) 4.433 2.456 2.456 !13Cnoesy, no=1896, id=1741, vol=2.195700e+01
    or (resid   49 and name  HD1) (resid   61 and name HG22)
    or (resid   49 and name  HD1) (resid   61 and name HG23)
    or (resid   49 and name  HD2) (resid   61 and name HG21)
    or (resid   49 and name  HD2) (resid   61 and name HG22)
    or (resid   49 and name  HD2) (resid   61 and name HG23)
assign (resid   19 and name HG21) (resid   20 and name  HE1) 4.055 2.056 2.056 !13Cnoesy, no=1897, id=1742, vol=2.128400e+01
    or (resid   19 and name HG22) (resid   20 and name  HE1)
    or (resid   19 and name HG23) (resid   20 and name  HE1)
assign (resid    7 and name  HB1) (resid    6 and name  HA2) 3.844 1.847 1.847 !13Cnoesy, no=1901, id=1746, vol=3.285000e+01
    or (resid    7 and name  HB1) (resid    6 and name  HA1)
assign (resid   77 and name   HA) (resid   77 and name  HG1) 2.312 0.668 0.668 !13Cnoesy, no=1902, id=1747, vol=5.661300e+01
assign (resid   43 and name HG22) (resid   14 and name  HE1) 4.433 2.456 2.456 !13Cnoesy, no=1912, id=1756, vol=1.745200e+01
    or (resid   43 and name HG22) (resid   14 and name  HE2)
    or (resid   43 and name HG21) (resid   14 and name  HE1)
    or (resid   43 and name HG21) (resid   14 and name  HE2)
    or (resid   43 and name HG23) (resid   14 and name  HE1)
    or (resid   43 and name HG23) (resid   14 and name  HE2)
assign (resid   42 and name  HB1) (resid   14 and name   HZ) 4.433 2.456 2.456 !13Cnoesy, no=1914, id=1758, vol=6.751500e+01
assign (resid   30 and name   HN) (resid   29 and name   HN) 2.206 2.206 4.294 !15Nnoesy, no=45, id=1760, vol=1.209340e+02
assign (resid   30 and name   HN) (resid   32 and name   HN) 2.271 2.271 4.229 !15Nnoesy, no=46, id=1761, vol=1.209460e+02
assign (resid   30 and name   HN) (resid   31 and name  HA1) 3.426 1.467 1.617 !15Nnoesy, no=48, id=1763, vol=1.210060e+02
assign (resid   30 and name   HN) (resid   30 and name  HB2) 2.640 0.871 0.871 !15Nnoesy, no=49, id=1764, vol=1.209470e+02
assign (resid   27 and name  HE1) (resid   27 and name  HZ2) 2.369 0.702 0.702 !15Nnoesy, no=57, id=1772, vol=1.262130e+02
assign (resid   27 and name  HE1) (resid   27 and name  HE3) 2.771 2.771 3.729 !15Nnoesy, no=58, id=1773, vol=1.262130e+02
assign (resid   27 and name  HE1) (resid   27 and name  HD1) 2.163 0.585 0.585 !15Nnoesy, no=59, id=1774, vol=1.262130e+02
assign (resid   31 and name   HN) (resid   29 and name   HN) 2.881 2.881 3.619 !15Nnoesy, no=63, id=1778, vol=1.115590e+02
assign (resid   31 and name   HN) (resid   29 and name   HA) 2.955 1.091 1.091 !15Nnoesy, no=65, id=1780, vol=1.115420e+02
assign (resid   31 and name   HN) (resid   31 and name  HA1) 2.665 0.888 0.888 !15Nnoesy, no=66, id=1781, vol=4.100000e+09
assign (resid   29 and name   HN) (resid   29 and name  HB2) 3.177 1.262 1.262 !15Nnoesy, no=72, id=1786, vol=1.202850e+02
assign (resid   29 and name   HN) (resid   28 and name  HB1) 2.938 1.079 1.079 !15Nnoesy, no=73, id=1787, vol=1.202900e+02
assign (resid   43 and name   HN) (resid   43 and name   HA) 3.310 1.370 1.370 !15Nnoesy, no=77, id=1791, vol=1.209970e+02
assign (resid   39 and name   HN) (resid   40 and name   HN) 2.317 0.671 0.671 !15Nnoesy, no=79, id=1793, vol=1.230030e+02
assign (resid   39 and name   HN) (resid   38 and name   HN) 2.184 0.596 0.596 !15Nnoesy, no=80, id=1794, vol=1.230110e+02
assign (resid   39 and name   HN) (resid   41 and name   HN) 3.031 1.148 1.148 !15Nnoesy, no=82, id=1796, vol=1.230400e+02
assign (resid   39 and name   HN) (resid   42 and name   HN) 3.017 3.017 3.483 !15Nnoesy, no=83, id=1797, vol=1.229930e+02
assign (resid   39 and name   HN) (resid   35 and name  HB1) 2.535 0.804 0.804 !15Nnoesy, no=85, id=1799, vol=1.230060e+02
assign (resid   39 and name   HN) (resid   35 and name  HB2) 2.932 1.075 1.075 !15Nnoesy, no=86, id=1800, vol=1.230270e+02
assign (resid   22 and name   HN) (resid   22 and name  HB1) 3.285 1.349 1.349 !15Nnoesy, no=92, id=1806, vol=1.256700e+02
assign (resid   16 and name   HN) (resid   16 and name  HB1) 3.218 1.294 1.294 !15Nnoesy, no=93, id=1807, vol=1.261050e+02
assign (resid   16 and name   HN) (resid   23 and name   HN) 3.337 1.392 1.392 !15Nnoesy, no=94, id=1808, vol=1.261050e+02
assign (resid   16 and name   HN) (resid   15 and name  HB1) 3.031 1.148 1.148 !15Nnoesy, no=96, id=1810, vol=1.260150e+02
assign (resid   16 and name   HN) (resid   16 and name  HB2) 3.365 1.415 1.415 !15Nnoesy, no=97, id=1811, vol=1.261050e+02
assign (resid   34 and name   HN) (resid   40 and name   HN) 3.310 1.370 1.370 !15Nnoesy, no=98, id=1812, vol=1.107000e+02
assign (resid   40 and name   HN) (resid   35 and name   HN) 2.503 0.783 0.783 !15Nnoesy, no=100, id=1814, vol=1.106810e+02
assign (resid   40 and name   HN) (resid   42 and name   HN) 2.558 2.558 3.942 !15Nnoesy, no=103, id=1817, vol=1.106650e+02
assign (resid   40 and name   HN) (resid   14 and name  HD1) 3.426 1.467 1.467 !15Nnoesy, no=104, id=1818, vol=1.106690e+02
    or (resid   40 and name   HN) (resid   14 and name  HD2)
assign (resid   40 and name   HN) (resid   35 and name  HB2) 2.998 1.123 1.123 !15Nnoesy, no=108, id=1822, vol=1.106690e+02
assign (resid   14 and name   HN) (resid   14 and name  HD1) 2.862 2.862 3.638 !15Nnoesy, no=110, id=1824, vol=1.245710e+02
    or (resid   14 and name   HN) (resid   14 and name  HD2)
assign (resid   14 and name   HN) (resid   15 and name   HN) 3.285 1.349 1.349 !15Nnoesy, no=113, id=1827, vol=1.245090e+02
assign (resid   35 and name   HN) (resid   34 and name   HA) 3.132 1.226 1.226 !15Nnoesy, no=114, id=1828, vol=1.175000e+02
assign (resid   34 and name   HN) (resid   35 and name   HN) 2.067 0.534 0.534 !15Nnoesy, no=115, id=1829, vol=1.174740e+02
assign (resid   35 and name   HN) (resid   39 and name   HN) 2.685 2.685 3.815 !15Nnoesy, no=117, id=1831, vol=1.174730e+02
assign (resid   35 and name   HN) (resid   33 and name   HA) 3.059 1.170 1.170 !15Nnoesy, no=118, id=1832, vol=1.174200e+02
assign (resid   35 and name   HN) (resid   35 and name  HB1) 2.857 1.020 1.020 !15Nnoesy, no=119, id=1833, vol=1.174550e+02
assign (resid   35 and name   HN) (resid   35 and name  HB2) 2.571 0.826 0.826 !15Nnoesy, no=120, id=1834, vol=1.174940e+02
assign (resid   35 and name   HN) (resid   34 and name  HB1) 2.378 0.707 1.007 !15Nnoesy, no=121, id=1835, vol=1.174670e+02
assign (resid   27 and name   HN) (resid   24 and name  HB2) 2.862 1.024 1.024 !15Nnoesy, no=125, id=1839, vol=1.175580e+02
assign (resid   27 and name  HE1) (resid   27 and name   HN) 3.365 3.365 3.135 !15Nnoesy, no=126, id=1840, vol=1.175040e+02
assign (resid   27 and name   HN) (resid   27 and name  HD1) 3.132 1.226 1.226 !15Nnoesy, no=127, id=1841, vol=1.174600e+02
assign (resid   27 and name   HN) (resid   27 and name  HB2) 3.074 1.182 1.182 !15Nnoesy, no=129, id=1843, vol=1.174990e+02
assign (resid   26 and name   HN) (resid   24 and name  HB2) 3.460 1.496 1.496 !15Nnoesy, no=132, id=1846, vol=1.154450e+02
assign (resid   26 and name   HN) (resid   25 and name  HG2) 2.703 2.703 3.797 !15Nnoesy, no=134, id=1848, vol=1.156560e+02
    or (resid   26 and name   HN) (resid   25 and name  HG1)
assign (resid   40 and name   HN) (resid   37 and name   HN) 3.177 3.177 3.323 !15Nnoesy, no=137, id=1851, vol=1.132210e+02
assign (resid   39 and name   HN) (resid   37 and name   HN) 2.633 0.866 0.866 !15Nnoesy, no=138, id=1852, vol=1.132120e+02
assign (resid   37 and name   HN) (resid    1 and name  HA2) 3.098 3.098 3.402 !15Nnoesy, no=140, id=1854, vol=1.132000e+02
    or (resid   37 and name   HN) (resid    1 and name  HA1)
assign (resid   37 and name   HN) (resid   37 and name  HB2) 2.814 0.990 0.990 !15Nnoesy, no=141, id=1855, vol=1.132300e+02
assign (resid   37 and name   HN) (resid   37 and name  HB1) 3.052 1.164 1.164 !15Nnoesy, no=145, id=1859, vol=1.132070e+02
assign (resid   29 and name   HN) (resid   28 and name   HN) 2.802 0.981 0.981 !15Nnoesy, no=146, id=1860, vol=1.262130e+02
assign (resid   28 and name   HN) (resid   28 and name  HB1) 2.391 0.714 0.914 !15Nnoesy, no=148, id=1862, vol=1.262130e+02
assign (resid   28 and name   HN) (resid   30 and name   HN) 3.674 1.687 1.687 !15Nnoesy, no=150, id=1864, vol=1.262130e+02
assign (resid   28 and name   HN) (resid   27 and name  HB2) 3.864 1.866 1.866 !15Nnoesy, no=155, id=1869, vol=1.262130e+02
assign (resid   28 and name   HN) (resid   28 and name  HB2) 2.814 0.990 0.990 !15Nnoesy, no=156, id=1870, vol=1.262130e+02
assign (resid   80 and name   HN) (resid   79 and name  HB2) 1.859 0.432 0.432 !15Nnoesy, no=159, id=1873, vol=1.273670e+02
    or (resid   80 and name   HN) (resid   79 and name  HB1)
assign (resid   50 and name HD21) (resid   50 and name HD22) 1.897 0.450 0.450 !15Nnoesy, no=161, id=1875, vol=1.119630e+02
assign (resid   13 and name   HN) (resid   14 and name   HN) 2.726 2.726 3.774 !15Nnoesy, no=163, id=1877, vol=1.148580e+02
assign (resid   13 and name   HN) (resid   25 and name   HN) 3.011 1.133 1.133 !15Nnoesy, no=164, id=1878, vol=1.148850e+02
assign (resid   13 and name   HN) (resid   12 and name   HA) 2.682 0.899 0.899 !15Nnoesy, no=166, id=1879, vol=1.148730e+02
assign (resid   13 and name   HN) (resid   12 and name  HB2) 3.074 1.182 1.182 !15Nnoesy, no=169, id=1882, vol=1.148530e+02
    or (resid   13 and name   HN) (resid   12 and name  HB1)
assign (resid   34 and name   HN) (resid   41 and name   HN) 3.106 1.206 1.206 !15Nnoesy, no=170, id=1883, vol=1.153940e+02
assign (resid   40 and name   HN) (resid   41 and name   HN) 2.227 0.620 0.620 !15Nnoesy, no=171, id=1884, vol=1.154380e+02
assign (resid   41 and name   HN) (resid   38 and name  HA1) 3.149 1.240 1.240 !15Nnoesy, no=176, id=1889, vol=1.154200e+02
assign (resid   41 and name   HN) (resid   40 and name   HA) 3.460 1.496 1.496 !15Nnoesy, no=177, id=1890, vol=1.153170e+02
assign (resid   41 and name   HN) (resid   41 and name  HB2) 2.771 0.960 0.960 !15Nnoesy, no=180, id=1893, vol=1.154480e+02
assign (resid   43 and name   HN) (resid   42 and name   HN) 3.024 3.024 3.476 !15Nnoesy, no=183, id=1896, vol=1.157590e+02
assign (resid   41 and name   HN) (resid   42 and name   HN) 2.074 0.538 0.538 !15Nnoesy, no=184, id=1897, vol=1.157070e+02
assign (resid   42 and name   HN) (resid   42 and name  HB1) 2.835 1.005 1.005 !15Nnoesy, no=185, id=1898, vol=1.156490e+02
assign (resid   42 and name   HN) (resid   42 and name  HB2) 2.722 0.926 0.926 !15Nnoesy, no=186, id=1899, vol=1.157250e+02
assign (resid   42 and name   HN) (resid   45 and name  HB2) 2.967 1.100 1.100 !15Nnoesy, no=190, id=1903, vol=1.157100e+02
    or (resid   42 and name   HN) (resid   45 and name  HB1)
    or (resid   42 and name   HN) (resid   45 and name  HB3)
assign (resid   47 and name   HN) (resid   46 and name   HN) 2.050 0.525 0.525 !15Nnoesy, no=191, id=1904, vol=1.173000e+02
assign (resid   47 and name   HN) (resid   46 and name  HA2) 2.756 0.950 0.950 !15Nnoesy, no=193, id=1906, vol=1.173480e+02
assign (resid   47 and name   HN) (resid   47 and name  HB1) 3.038 1.154 1.154 !15Nnoesy, no=194, id=1907, vol=1.173230e+02
assign (resid   47 and name   HN) (resid   47 and name  HB2) 2.943 1.083 1.083 !15Nnoesy, no=195, id=1908, vol=1.172860e+02
assign (resid   47 and name   HN) (resid   48 and name   HN) 2.671 0.891 0.891 !15Nnoesy, no=198, id=1911, vol=1.173400e+02
assign (resid   45 and name   HN) (resid   44 and name   HN) 2.596 0.842 0.842 !15Nnoesy, no=199, id=1912, vol=1.186380e+02
assign (resid   45 and name   HN) (resid   46 and name   HN) 2.087 0.545 0.545 !15Nnoesy, no=200, id=1913, vol=1.186500e+02
assign (resid   45 and name   HN) (resid   43 and name HD12) 3.038 3.038 3.462 !15Nnoesy, no=205, id=1918, vol=1.186690e+02
    or (resid   45 and name   HN) (resid   43 and name HD11)
    or (resid   45 and name   HN) (resid   43 and name HD13)
assign (resid   34 and name   HN) (resid   32 and name   HN) 3.477 3.477 3.023 !15Nnoesy, no=207, id=1920, vol=1.185270e+02
assign (resid   31 and name   HN) (resid   32 and name   HN) 1.911 0.457 0.457 !15Nnoesy, no=208, id=1921, vol=1.185570e+02
assign (resid   32 and name   HN) (resid   31 and name  HA1) 2.719 0.924 0.924 !15Nnoesy, no=210, id=1922, vol=1.185400e+02
assign (resid   32 and name   HN) (resid   31 and name  HA2) 2.710 0.918 0.918 !15Nnoesy, no=211, id=1923, vol=1.185100e+02
assign (resid   32 and name   HN) (resid   32 and name  HB2) 2.136 0.571 1.771 !15Nnoesy, no=212, id=1924, vol=1.185430e+02
assign (resid   19 and name   HN) (resid   21 and name   HN) 3.535 1.562 1.562 !15Nnoesy, no=213, id=1925, vol=1.088940e+02
assign (resid   19 and name   HN) (resid   17 and name   HA) 2.814 0.990 0.990 !15Nnoesy, no=214, id=1926, vol=1.089260e+02
assign (resid   19 and name   HN) (resid   35 and name  HB1) 2.955 2.955 3.545 !15Nnoesy, no=215, id=1927, vol=1.089380e+02
assign (resid   44 and name   HN) (resid   17 and name  HG2) 3.337 3.337 3.163 !15Nnoesy, no=218, id=1930, vol=1.245800e+02
assign (resid   65 and name   HN) (resid   66 and name   HN) 3.017 1.138 1.138 !15Nnoesy, no=223, id=1935, vol=1.192000e+02
assign (resid   76 and name   HN) (resid   76 and name   HA) 3.460 1.496 1.496 !15Nnoesy, no=227, id=1939, vol=1.196270e+02
assign (resid   76 and name   HN) (resid   76 and name  HB2) 3.337 1.392 1.392 !15Nnoesy, no=228, id=1940, vol=1.196260e+02
assign (resid   49 and name   HN) (resid   49 and name  HD1) 2.967 1.100 1.100 !15Nnoesy, no=230, id=1942, vol=1.191930e+02
    or (resid   49 and name   HN) (resid   49 and name  HD2)
assign (resid   49 and name   HN) (resid   49 and name   HA) 3.218 1.294 1.294 !15Nnoesy, no=231, id=1943, vol=1.191630e+02
assign (resid   49 and name   HN) (resid   48 and name  HB2) 3.149 1.240 1.240 !15Nnoesy, no=234, id=1946, vol=1.191720e+02
    or (resid   49 and name   HN) (resid   48 and name  HB1)
assign (resid   63 and name   HN) (resid   63 and name  HG2) 2.871 1.030 1.030 !15Nnoesy, no=237, id=1949, vol=1.198490e+02
assign (resid   63 and name   HN) (resid   66 and name   HB) 2.422 2.422 4.078 !15Nnoesy, no=238, id=1950, vol=1.198480e+02
assign (resid   21 and name   HN) (resid   21 and name   HB) 3.045 1.159 1.159 !15Nnoesy, no=239, id=1951, vol=1.200410e+02
assign (resid   75 and name   HN) (resid   75 and name   HA) 2.818 0.993 0.993 !15Nnoesy, no=241, id=1953, vol=1.205880e+02
assign (resid   75 and name   HN) (resid   75 and name  HB2) 2.526 0.797 0.797 !15Nnoesy, no=242, id=1954, vol=1.205300e+02
assign (resid   75 and name   HN) (resid   72 and name HD22) 3.074 3.074 3.426 !15Nnoesy, no=243, id=1955, vol=1.205910e+02
    or (resid   75 and name   HN) (resid   72 and name HD21)
    or (resid   75 and name   HN) (resid   72 and name HD23)
assign (resid   16 and name   HN) (resid   15 and name   HN) 2.853 2.853 3.647 !15Nnoesy, no=245, id=1957, vol=1.212290e+02
assign (resid   15 and name   HN) (resid   14 and name  HD1) 2.589 0.838 0.838 !15Nnoesy, no=246, id=1958, vol=1.212750e+02
    or (resid   15 and name   HN) (resid   14 and name  HD2)
assign (resid   15 and name   HN) (resid   15 and name  HB2) 2.333 0.680 0.680 !15Nnoesy, no=247, id=1959, vol=1.212400e+02
assign (resid   15 and name   HN) (resid   14 and name  HB1) 2.985 2.985 3.515 !15Nnoesy, no=248, id=1960, vol=1.211820e+02
assign (resid   63 and name   HN) (resid   64 and name   HN) 3.038 1.154 1.154 !15Nnoesy, no=250, id=1962, vol=1.209160e+02
assign (resid   64 and name   HN) (resid   66 and name   HB) 2.746 2.746 3.754 !15Nnoesy, no=252, id=1964, vol=1.209100e+02
assign (resid   14 and name   HN) (resid   25 and name   HN) 2.973 1.105 1.105 !15Nnoesy, no=256, id=1968, vol=1.215730e+02
assign (resid   25 and name   HN) (resid   24 and name  HB2) 3.059 1.170 1.170 !15Nnoesy, no=262, id=1973, vol=1.215790e+02
assign (resid    4 and name   HN) (resid    3 and name  HB2) 3.123 1.219 1.219 !15Nnoesy, no=264, id=1975, vol=1.222370e+02
assign (resid   49 and name   HN) (resid   48 and name   HN) 3.410 1.453 1.453 !15Nnoesy, no=265, id=1976, vol=1.227450e+02
assign (resid   79 and name   HN) (resid   80 and name   HN) 3.228 1.303 1.303 !15Nnoesy, no=271, id=1982, vol=1.228660e+02
assign (resid   38 and name   HN) (resid   34 and name   HN) 3.250 3.250 3.250 !15Nnoesy, no=272, id=1983, vol=1.058040e+02
assign (resid   40 and name   HN) (resid   38 and name   HN) 2.798 2.798 3.702 !15Nnoesy, no=273, id=1984, vol=1.057440e+02
assign (resid   37 and name   HN) (resid   38 and name   HN) 2.297 0.660 0.660 !15Nnoesy, no=275, id=1986, vol=1.057630e+02
assign (resid   41 and name   HN) (resid   38 and name   HN) 3.903 1.904 1.904 !15Nnoesy, no=276, id=1987, vol=1.057760e+02
assign (resid   38 and name   HN) (resid   35 and name  HB1) 2.482 0.770 1.020 !15Nnoesy, no=279, id=1990, vol=1.058070e+02
assign (resid   38 and name   HN) (resid   35 and name  HB2) 2.938 1.079 1.079 !15Nnoesy, no=280, id=1991, vol=1.058020e+02
assign (resid   38 and name   HN) (resid   33 and name  HB2) 2.575 0.829 1.429 !15Nnoesy, no=281, id=1992, vol=1.057990e+02
assign (resid   46 and name   HN) (resid   44 and name   HN) 3.031 1.148 1.148 !15Nnoesy, no=283, id=1994, vol=1.040200e+02
assign (resid   46 and name   HN) (resid   46 and name  HA2) 2.396 0.718 0.718 !15Nnoesy, no=286, id=1997, vol=1.040710e+02
assign (resid   46 and name   HN) (resid   44 and name  HB2) 2.881 2.881 3.619 !15Nnoesy, no=288, id=1999, vol=1.040540e+02
    or (resid   46 and name   HN) (resid   44 and name  HB1)
    or (resid   46 and name   HN) (resid   44 and name  HB3)
assign (resid   66 and name   HN) (resid   67 and name   HN) 3.285 1.349 1.349 !15Nnoesy, no=295, id=2006, vol=1.222180e+02
assign (resid   30 and name   HN) (resid   30 and name  HB1) 3.024 1.143 1.143 !15Nnoesy, no=300, id=2011, vol=1.209080e+02
assign (resid   23 and name   HN) (resid   23 and name HG12) 2.943 1.083 1.083 !15Nnoesy, no=301, id=2012, vol=1.199780e+02
    or (resid   23 and name   HN) (resid   23 and name HG11)
    or (resid   23 and name   HN) (resid   23 and name HG13)
assign (resid   34 and name   HN) (resid   41 and name  HG2) 2.943 1.083 1.083 !15Nnoesy, no=302, id=2013, vol=1.288470e+02
assign (resid   34 and name   HN) (resid   34 and name  HB1) 2.610 0.852 0.852 !15Nnoesy, no=304, id=2015, vol=1.288370e+02
assign (resid   34 and name   HN) (resid   33 and name  HB2) 2.726 0.929 1.629 !15Nnoesy, no=305, id=2016, vol=1.288000e+02
assign (resid   27 and name  HE1) (resid   74 and name  HG1) 2.943 1.083 1.083 !15Nnoesy, no=308, id=2019, vol=1.262130e+02
assign (resid   27 and name  HE1) (resid   24 and name  HB2) 3.031 1.148 1.148 !15Nnoesy, no=309, id=2020, vol=1.262130e+02
assign (resid   29 and name   HN) (resid   28 and name  HB2) 2.906 1.055 1.055 !15Nnoesy, no=311, id=2022, vol=1.202590e+02
assign (resid   40 and name   HN) (resid   40 and name  HB2) 2.775 0.962 0.962 !15Nnoesy, no=314, id=2024, vol=1.106860e+02
assign (resid   44 and name   HN) (resid   43 and name HG22) 3.228 1.303 1.303 !15Nnoesy, no=322, id=2032, vol=1.244810e+02
    or (resid   44 and name   HN) (resid   43 and name HG21)
    or (resid   44 and name   HN) (resid   43 and name HG23)
assign (resid   65 and name   HN) (resid   66 and name HG22) 3.106 1.206 1.206 !15Nnoesy, no=324, id=2034, vol=1.192190e+02
    or (resid   65 and name   HN) (resid   66 and name HG21)
    or (resid   65 and name   HN) (resid   66 and name HG23)
assign (resid   49 and name   HN) (resid   43 and name HD12) 3.262 1.330 1.330 !15Nnoesy, no=325, id=2035, vol=1.191550e+02
    or (resid   49 and name   HN) (resid   43 and name HD11)
    or (resid   49 and name   HN) (resid   43 and name HD13)
assign (resid   64 and name   HN) (resid   64 and name HD22) 2.818 0.993 0.993 !15Nnoesy, no=326, id=2036, vol=1.208920e+02
    or (resid   64 and name   HN) (resid   64 and name HD21)
    or (resid   64 and name   HN) (resid   64 and name HD23)
assign (resid   48 and name   HN) (resid   43 and name HD12) 2.876 1.034 1.034 !15Nnoesy, no=328, id=2038, vol=1.227450e+02
    or (resid   48 and name   HN) (resid   43 and name HD11)
    or (resid   48 and name   HN) (resid   43 and name HD13)
assign (resid   38 and name   HN) (resid   33 and name  HG2) 3.273 1.339 1.639 !15Nnoesy, no=329, id=2039, vol=1.057960e+02
assign (resid   67 and name   HN) (resid   66 and name HG12) 2.998 1.123 1.123 !15Nnoesy, no=332, id=2042, vol=1.222130e+02
    or (resid   67 and name   HN) (resid   66 and name HG11)
    or (resid   67 and name   HN) (resid   66 and name HG13)
assign (resid   27 and name   HN) (resid   27 and name  HE3) 3.864 1.866 1.866 !15Nnoesy, no=333, id=2043, vol=1.174620e+02
assign (resid   21 and name   HN) (resid   16 and name   HN) 3.577 1.600 1.600 !15Nnoesy, no=335, id=2045, vol=1.199730e+02
assign (resid   21 and name   HN) (resid   22 and name   HN) 3.496 1.528 1.528 !15Nnoesy, no=336, id=2046, vol=1.199930e+02
assign (resid   39 and name   HN) (resid   34 and name   HN) 3.114 3.114 3.386 !15Nnoesy, no=340, id=2050, vol=1.229760e+02
assign (resid   23 and name   HN) (resid   22 and name   HN) 3.761 1.768 1.768 !15Nnoesy, no=343, id=2053, vol=1.256970e+02
assign (resid   43 and name   HN) (resid   47 and name   HN) 3.577 1.600 1.600 !15Nnoesy, no=348, id=2057, vol=1.172570e+02
assign (resid   27 and name  HE1) (resid   73 and name  HB2) 3.074 1.182 1.182 !15Nnoesy, no=349, id=2058, vol=1.262130e+02
    or (resid   27 and name  HE1) (resid   73 and name  HB1)
assign (resid   16 and name   HN) (resid   23 and name HG12) 3.535 1.562 1.562 !15Nnoesy, no=350, id=2059, vol=4.490000e+09
    or (resid   16 and name   HN) (resid   23 and name HG11)
    or (resid   16 and name   HN) (resid   23 and name HG13)
assign (resid   34 and name   HN) (resid   42 and name   HN) 4.041 4.041 2.549 !15Nnoesy, no=356, id=2064, vol=1.155930e+02
assign (resid   46 and name   HN) (resid   42 and name   HN) 4.095 2.096 2.096 !15Nnoesy, no=358, id=2066, vol=1.159370e+02
assign (resid   47 and name   HN) (resid   43 and name HG12) 3.090 1.194 2.194 !15Nnoesy, no=362, id=2070, vol=1.173320e+02
assign (resid   41 and name   HN) (resid   35 and name   HN) 3.600 1.620 1.620 !15Nnoesy, no=365, id=2072, vol=1.174560e+02
assign (resid   30 and name   HN) (resid   27 and name   HN) 3.991 1.991 1.991 !15Nnoesy, no=366, id=2073, vol=1.174880e+02
assign (resid   27 and name   HN) (resid   29 and name   HN) 3.903 1.904 1.904 !15Nnoesy, no=368, id=2075, vol=1.175060e+02
assign (resid   27 and name   HN) (resid   28 and name HD22) 3.577 1.600 1.600 !15Nnoesy, no=370, id=2077, vol=1.175330e+02
    or (resid   27 and name   HN) (resid   28 and name HD21)
    or (resid   27 and name   HN) (resid   28 and name HD23)
assign (resid   29 and name   HN) (resid   32 and name   HN) 3.556 3.556 2.944 !15Nnoesy, no=371, id=2078, vol=1.185650e+02
assign (resid   43 and name   HN) (resid   45 and name   HN) 3.793 1.798 1.798 !15Nnoesy, no=372, id=2079, vol=1.186610e+02
assign (resid   45 and name   HN) (resid   17 and name  HG2) 3.515 3.515 2.985 !15Nnoesy, no=373, id=2080, vol=1.187030e+02
assign (resid   73 and name   HN) (resid   73 and name  HG2) 2.729 0.931 0.931 !15Nnoesy, no=374, id=2081, vol=1.189580e+02
assign (resid   74 and name   HN) (resid   70 and name   HA) 2.938 1.079 1.079 !15Nnoesy, no=376, id=2083, vol=1.192900e+02
assign (resid   29 and name   HN) (resid   40 and name  HB1) 3.991 2.191 2.841 !15Nnoesy, no=379, id=2086, vol=1.203070e+02
assign (resid   23 and name   HN) (resid   14 and name  HD1) 3.945 1.946 1.946 !15Nnoesy, no=382, id=2089, vol=1.198910e+02
    or (resid   23 and name   HN) (resid   14 and name  HD2)
assign (resid   43 and name   HN) (resid   42 and name  HB1) 3.623 1.641 1.641 !15Nnoesy, no=385, id=2092, vol=1.209340e+02
assign (resid   30 and name   HN) (resid   31 and name  HA2) 2.835 2.835 3.665 !15Nnoesy, no=389, id=2096, vol=1.209470e+02
assign (resid   30 and name   HN) (resid   34 and name   HN) 3.761 3.761 2.739 !15Nnoesy, no=390, id=2097, vol=1.209270e+02
assign (resid    5 and name   HN) (resid    5 and name  HB2) 2.991 1.118 1.118 !15Nnoesy, no=391, id=2098, vol=1.211620e+02
assign (resid   15 and name   HN) (resid   14 and name  HE1) 3.285 1.349 1.349 !15Nnoesy, no=392, id=2099, vol=1.212250e+02
    or (resid   15 and name   HN) (resid   14 and name  HE2)
assign (resid   15 and name   HN) (resid    9 and name   HA) 2.539 2.539 3.961 !15Nnoesy, no=393, id=2100, vol=1.212250e+02
assign (resid   79 and name   HN) (resid   79 and name  HB2) 3.059 1.170 1.170 !15Nnoesy, no=398, id=2104, vol=1.228700e+02
    or (resid   79 and name   HN) (resid   79 and name  HB1)
assign (resid   40 and name   HN) (resid   28 and name HD12) 3.991 1.991 1.991 !15Nnoesy, no=401, id=2107, vol=1.106810e+02
    or (resid   40 and name   HN) (resid   28 and name HD11)
    or (resid   40 and name   HN) (resid   28 and name HD13)
assign (resid   49 and name   HN) (resid   49 and name  HB1) 2.998 1.123 1.123 !15Nnoesy, no=402, id=2108, vol=1.191550e+02
assign (resid   50 and name HD22) (resid   50 and name  HB1) 2.979 1.109 1.109 !15Nnoesy, no=413, id=2112, vol=1.119530e+02
assign (resid   50 and name HD21) (resid   50 and name  HB1) 2.922 1.067 1.067 !15Nnoesy, no=414, id=2113, vol=1.119750e+02
assign (resid   50 and name HD22) (resid   43 and name HG22) 3.761 1.768 1.768 !15Nnoesy, no=415, id=2114, vol=1.119650e+02
    or (resid   50 and name HD22) (resid   43 and name HG21)
    or (resid   50 and name HD22) (resid   43 and name HG23)
assign (resid   50 and name HD21) (resid   43 and name HG22) 4.296 2.307 2.307 !15Nnoesy, no=417, id=2116, vol=1.118960e+02
    or (resid   50 and name HD21) (resid   43 and name HG21)
    or (resid   50 and name HD21) (resid   43 and name HG23)
assign (resid   30 and name   HN) (resid   41 and name  HG2) 3.866 1.869 1.869 !HCNnoesy, no=3, id=2117, vol=6.670000e+07
    or (resid   30 and name   HN) (resid   41 and name  HG1)
assign (resid   30 and name   HN) (resid   29 and name   HA) 2.399 0.719 0.719 !HCNnoesy, no=4, id=2118, vol=9.940000e+08
assign (resid   30 and name   HN) (resid   30 and name   HA) 2.456 0.754 0.754 !HCNnoesy, no=5, id=2119, vol=5.230000e+08
assign (resid   30 and name   HN) (resid   31 and name  HA2) 2.483 2.483 4.017 !HCNnoesy, no=6, id=2120, vol=4.690000e+08
    or (resid   30 and name   HN) (resid   31 and name  HA1)
assign (resid   30 and name   HN) (resid   30 and name  HB2) 2.436 0.742 0.742 !HCNnoesy, no=7, id=2121, vol=6.400000e+08
    or (resid   30 and name   HN) (resid   30 and name  HB1)
assign (resid   30 and name   HN) (resid   29 and name  HB2) 2.580 2.580 3.920 !HCNnoesy, no=8, id=2122, vol=2.880000e+08
    or (resid   30 and name   HN) (resid   29 and name  HB1)
assign (resid   30 and name   HN) (resid   66 and name HG22) 3.508 1.538 1.538 !HCNnoesy, no=10, id=2124, vol=7.320000e+07
    or (resid   30 and name   HN) (resid   66 and name HG21)
    or (resid   30 and name   HN) (resid   66 and name HG23)
assign (resid   23 and name   HN) (resid   23 and name   HB) 3.986 1.986 1.986 !HCNnoesy, no=11, id=2125, vol=1.610000e+08
assign (resid   23 and name   HN) (resid   23 and name   HA) 3.746 1.754 1.754 !HCNnoesy, no=12, id=2126, vol=6.760000e+07
assign (resid   23 and name   HN) (resid   15 and name   HA) 3.566 1.589 1.589 !HCNnoesy, no=13, id=2127, vol=9.000000e+07
assign (resid   23 and name   HN) (resid   22 and name   HA) 2.925 1.069 1.069 !HCNnoesy, no=14, id=2128, vol=2.690000e+08
assign (resid   34 and name   HN) (resid   38 and name  HA2) 3.266 1.334 1.334 !HCNnoesy, no=17, id=2131, vol=1.100000e+08
    or (resid   34 and name   HN) (resid   38 and name  HA1)
assign (resid   34 and name   HN) (resid   23 and name HG22) 3.399 1.444 1.444 !HCNnoesy, no=19, id=2133, vol=1.620000e+08
    or (resid   34 and name   HN) (resid   23 and name HG21)
    or (resid   34 and name   HN) (resid   23 and name HG23)
assign (resid   34 and name   HN) (resid    2 and name  HB2) 3.953 1.954 1.954 !HCNnoesy, no=20, id=2134, vol=3.690000e+07
    or (resid   34 and name   HN) (resid    2 and name  HB1)
assign (resid   34 and name   HN) (resid   33 and name   HA) 2.269 0.643 0.643 !HCNnoesy, no=21, id=2135, vol=1.140000e+09
assign (resid   34 and name   HN) (resid   34 and name  HB2) 2.560 0.819 0.819 !HCNnoesy, no=23, id=2137, vol=4.040000e+08
    or (resid   34 and name   HN) (resid   34 and name  HB1)
assign (resid   34 and name   HN) (resid   40 and name  HB2) 4.020 2.020 2.020 !HCNnoesy, no=24, id=2138, vol=8.210000e+07
    or (resid   34 and name   HN) (resid   40 and name  HB1)
assign (resid   34 and name   HN) (resid   41 and name  HG2) 3.177 1.261 1.261 !HCNnoesy, no=25, id=2139, vol=1.550000e+08
    or (resid   34 and name   HN) (resid   41 and name  HG1)
assign (resid   34 and name   HN) (resid   33 and name  HB2) 2.776 0.964 0.964 !HCNnoesy, no=26, id=2140, vol=2.520000e+08
    or (resid   34 and name   HN) (resid   33 and name  HB1)
assign (resid   34 and name   HN) (resid   33 and name  HD2) 3.433 3.433 3.067 !HCNnoesy, no=27, id=2141, vol=1.610000e+08
    or (resid   34 and name   HN) (resid   33 and name  HD1)
assign (resid   34 and name   HN) (resid   35 and name  HB2) 3.292 1.355 1.355 !HCNnoesy, no=29, id=2143, vol=1.470000e+08
    or (resid   34 and name   HN) (resid   35 and name  HB1)
assign (resid   34 and name   HN) (resid   33 and name  HG2) 3.043 1.157 1.257 !HCNnoesy, no=30, id=2144, vol=2.090000e+08
    or (resid   34 and name   HN) (resid   33 and name  HG1)
assign (resid   27 and name  HE1) (resid   27 and name  HH2) 3.242 3.242 3.258 !HCNnoesy, no=31, id=2145, vol=1.020000e+08
assign (resid   27 and name  HE1) (resid   27 and name   HA) 3.102 3.102 3.398 !HCNnoesy, no=33, id=2147, vol=1.170000e+08
assign (resid   27 and name  HE1) (resid   74 and name  HB2) 3.482 1.515 1.515 !HCNnoesy, no=36, id=2150, vol=1.980000e+08
    or (resid   27 and name  HE1) (resid   74 and name  HB1)
assign (resid   27 and name  HE1) (resid   74 and name  HD2) 2.961 1.096 1.096 !HCNnoesy, no=38, id=2152, vol=2.240000e+08
    or (resid   27 and name  HE1) (resid   74 and name  HD1)
assign (resid   27 and name  HE1) (resid   24 and name  HG2) 2.991 1.118 1.118 !HCNnoesy, no=40, id=2154, vol=1.840000e+08
    or (resid   27 and name  HE1) (resid   24 and name  HG1)
assign (resid   27 and name  HE1) (resid   74 and name  HG2) 2.818 0.993 0.993 !HCNnoesy, no=41, id=2155, vol=1.610000e+08
    or (resid   27 and name  HE1) (resid   74 and name  HG1)
assign (resid   31 and name   HN) (resid   29 and name  HB2) 3.469 1.504 1.504 !HCNnoesy, no=46, id=2160, vol=5.880000e+07
    or (resid   31 and name   HN) (resid   29 and name  HB1)
assign (resid   31 and name   HN) (resid   30 and name   HA) 2.961 1.096 1.096 !HCNnoesy, no=47, id=2161, vol=2.060000e+08
assign (resid   31 and name   HN) (resid   31 and name  HA2) 2.182 0.595 0.595 !HCNnoesy, no=48, id=2162, vol=1.650000e+09
    or (resid   31 and name   HN) (resid   31 and name  HA1)
assign (resid   29 and name   HN) (resid   29 and name   HA) 2.342 0.686 0.686 !HCNnoesy, no=50, id=2164, vol=6.300000e+08
assign (resid   29 and name   HN) (resid   30 and name  HB2) 3.581 1.603 1.603 !HCNnoesy, no=54, id=2168, vol=6.660000e+07
    or (resid   29 and name   HN) (resid   30 and name  HB1)
assign (resid   29 and name   HN) (resid   28 and name  HB2) 2.640 0.871 0.871 !HCNnoesy, no=55, id=2169, vol=5.070000e+08
    or (resid   29 and name   HN) (resid   28 and name  HB1)
assign (resid   29 and name   HN) (resid   29 and name  HB2) 2.436 0.742 0.742 !HCNnoesy, no=57, id=2171, vol=4.980000e+08
    or (resid   29 and name   HN) (resid   29 and name  HB1)
assign (resid   29 and name   HN) (resid   28 and name HD22) 2.937 1.078 1.178 !HCNnoesy, no=60, id=2174, vol=2.130000e+08
    or (resid   29 and name   HN) (resid   28 and name HD21)
    or (resid   29 and name   HN) (resid   28 and name HD23)
assign (resid   29 and name   HN) (resid   66 and name HG22) 2.544 0.809 0.809 !HCNnoesy, no=61, id=2175, vol=4.080000e+08
    or (resid   29 and name   HN) (resid   66 and name HG21)
    or (resid   29 and name   HN) (resid   66 and name HG23)
assign (resid   29 and name   HN) (resid   45 and name  HB2) 3.069 3.069 3.431 !HCNnoesy, no=62, id=2176, vol=1.370000e+08
    or (resid   29 and name   HN) (resid   45 and name  HB1)
    or (resid   29 and name   HN) (resid   45 and name  HB3)
assign (resid   29 and name   HN) (resid   27 and name  HB2) 3.953 1.954 1.954 !HCNnoesy, no=63, id=2177, vol=3.090000e+07
    or (resid   29 and name   HN) (resid   27 and name  HB1)
assign (resid   43 and name   HN) (resid   42 and name  HB2) 3.069 1.177 1.177 !HCNnoesy, no=64, id=2178, vol=1.020000e+08
    or (resid   43 and name   HN) (resid   42 and name  HB1)
assign (resid   43 and name   HN) (resid   42 and name   HA) 3.157 1.246 1.246 !HCNnoesy, no=66, id=2180, vol=9.560000e+07
assign (resid   43 and name   HN) (resid   43 and name   HB) 3.063 1.173 1.173 !HCNnoesy, no=67, id=2181, vol=1.260000e+08
assign (resid   43 and name   HN) (resid   43 and name HG12) 2.906 1.056 1.056 !HCNnoesy, no=68, id=2182, vol=1.330000e+08
    or (resid   43 and name   HN) (resid   43 and name HG11)
assign (resid   43 and name   HN) (resid   43 and name HG22) 2.842 1.010 1.010 !HCNnoesy, no=69, id=2183, vol=1.540000e+08
    or (resid   43 and name   HN) (resid   43 and name HG21)
    or (resid   43 and name   HN) (resid   43 and name HG23)
assign (resid   43 and name   HN) (resid   43 and name HD12) 3.894 1.895 1.895 !HCNnoesy, no=70, id=2184, vol=1.340000e+08
    or (resid   43 and name   HN) (resid   43 and name HD11)
    or (resid   43 and name   HN) (resid   43 and name HD13)
assign (resid   39 and name   HN) (resid   17 and name  HD2) 3.058 1.169 1.169 !HCNnoesy, no=71, id=2185, vol=1.520000e+08
    or (resid   39 and name   HN) (resid   17 and name  HD1)
assign (resid   39 and name   HN) (resid   17 and name  HG2) 3.433 1.473 1.473 !HCNnoesy, no=73, id=2187, vol=9.260000e+07
    or (resid   39 and name   HN) (resid   17 and name  HG1)
assign (resid   39 and name   HN) (resid   42 and name  HB2) 3.388 1.435 1.435 !HCNnoesy, no=74, id=2188, vol=7.410000e+07
    or (resid   39 and name   HN) (resid   42 and name  HB1)
assign (resid   39 and name   HN) (resid   14 and name  HE1) 3.522 1.551 1.551 !HCNnoesy, no=75, id=2189, vol=4.920000e+07
    or (resid   39 and name   HN) (resid   14 and name  HE2)
assign (resid   39 and name   HN) (resid   39 and name   HA) 2.332 0.680 0.680 !HCNnoesy, no=77, id=2191, vol=5.730000e+08
assign (resid   39 and name   HN) (resid   40 and name   HA) 4.643 2.695 2.695 !HCNnoesy, no=78, id=2192, vol=2.430000e+08
assign (resid   39 and name   HN) (resid   38 and name  HA2) 2.531 0.801 0.801 !HCNnoesy, no=80, id=2194, vol=4.140000e+08
    or (resid   39 and name   HN) (resid   38 and name  HA1)
assign (resid   39 and name   HN) (resid   33 and name  HE2) 3.791 1.797 1.797 !HCNnoesy, no=81, id=2195, vol=1.300000e+08
    or (resid   39 and name   HN) (resid   33 and name  HE1)
assign (resid   39 and name   HN) (resid   37 and name  HB2) 3.079 1.185 1.185 !HCNnoesy, no=82, id=2196, vol=1.500000e+08
    or (resid   39 and name   HN) (resid   37 and name  HB1)
assign (resid   39 and name   HN) (resid   35 and name  HB2) 2.380 0.708 0.708 !HCNnoesy, no=83, id=2197, vol=5.470000e+08
    or (resid   39 and name   HN) (resid   35 and name  HB1)
assign (resid   39 and name   HN) (resid   17 and name  HB2) 3.866 1.869 1.869 !HCNnoesy, no=84, id=2198, vol=5.130000e+07
    or (resid   39 and name   HN) (resid   17 and name  HB1)
assign (resid   39 and name   HN) (resid   33 and name  HD2) 3.597 1.617 1.617 !HCNnoesy, no=86, id=2200, vol=6.570000e+07
    or (resid   39 and name   HN) (resid   33 and name  HD1)
assign (resid   39 and name   HN) (resid   33 and name  HG2) 4.871 2.966 2.966 !HCNnoesy, no=87, id=2201, vol=1.850000e+08
    or (resid   39 and name   HN) (resid   33 and name  HG1)
assign (resid   39 and name   HN) (resid   39 and name  HB2) 1.950 0.475 0.475 !HCNnoesy, no=89, id=2203, vol=1.630000e+09
    or (resid   39 and name   HN) (resid   39 and name  HB1)
    or (resid   39 and name   HN) (resid   39 and name  HB3)
assign (resid   62 and name   HN) (resid   61 and name   HB) 3.522 1.551 1.551 !HCNnoesy, no=91, id=2205, vol=8.260000e+07
assign (resid   62 and name   HN) (resid   61 and name   HA) 3.597 1.617 1.617 !HCNnoesy, no=92, id=2206, vol=6.440000e+07
assign (resid   62 and name   HN) (resid   62 and name   HA) 3.444 1.483 1.483 !HCNnoesy, no=93, id=2207, vol=7.910000e+07
assign (resid   62 and name   HN) (resid   62 and name  HB2) 2.885 1.040 1.040 !HCNnoesy, no=95, id=2209, vol=1.740000e+08
    or (resid   62 and name   HN) (resid   62 and name  HB1)
assign (resid    6 and name   HN) (resid    6 and name  HA2) 4.282 2.292 2.292 !HCNnoesy, no=96, id=2210, vol=7.890000e+07
    or (resid    6 and name   HN) (resid    6 and name  HA1)
assign (resid   22 and name   HN) (resid   21 and name   HA) 3.150 1.241 1.241 !HCNnoesy, no=97, id=2211, vol=1.960000e+08
assign (resid   22 and name   HN) (resid   22 and name  HB2) 3.725 1.735 1.735 !HCNnoesy, no=98, id=2212, vol=1.300000e+08
    or (resid   22 and name   HN) (resid   22 and name  HB1)
assign (resid   22 and name   HN) (resid   21 and name HG22) 2.641 0.872 0.872 !HCNnoesy, no=99, id=2213, vol=4.660000e+08
    or (resid   22 and name   HN) (resid   21 and name HG21)
    or (resid   22 and name   HN) (resid   21 and name HG23)
assign (resid   22 and name   HN) (resid   22 and name   HA) 3.923 1.923 1.923 !HCNnoesy, no=100, id=2214, vol=1.710000e+08
assign (resid   22 and name   HN) (resid   21 and name   HB) 4.020 2.020 2.020 !HCNnoesy, no=101, id=2215, vol=5.140000e+07
assign (resid   16 and name   HN) (resid   15 and name  HB2) 2.986 1.115 1.115 !HCNnoesy, no=102, id=2216, vol=1.740000e+08
    or (resid   16 and name   HN) (resid   15 and name  HB1)
assign (resid   16 and name   HN) (resid   22 and name   HA) 3.378 1.426 1.426 !HCNnoesy, no=103, id=2217, vol=9.560000e+07
assign (resid   16 and name   HN) (resid   16 and name   HA) 3.768 1.775 1.775 !HCNnoesy, no=104, id=2218, vol=2.230000e+08
assign (resid   16 and name   HN) (resid   17 and name  HD2) 3.746 1.754 1.754 !HCNnoesy, no=105, id=2219, vol=8.700000e+07
    or (resid   16 and name   HN) (resid   17 and name  HD1)
assign (resid   16 and name   HN) (resid   15 and name   HA) 2.933 1.075 1.075 !HCNnoesy, no=107, id=2221, vol=3.770000e+08
assign (resid   16 and name   HN) (resid   22 and name  HB2) 4.340 2.354 2.354 !HCNnoesy, no=108, id=2222, vol=3.140000e+08
    or (resid   16 and name   HN) (resid   22 and name  HB1)
assign (resid   16 and name   HN) (resid   16 and name  HB2) 3.227 1.302 1.302 !HCNnoesy, no=109, id=2223, vol=1.910000e+08
    or (resid   16 and name   HN) (resid   16 and name  HB1)
assign (resid   16 and name   HN) (resid   21 and name   HB) 4.643 2.695 2.695 !HCNnoesy, no=110, id=2224, vol=9.150000e+07
assign (resid   14 and name   HN) (resid   15 and name  HB2) 4.181 2.185 2.185 !HCNnoesy, no=114, id=2228, vol=1.980000e+07
    or (resid   14 and name   HN) (resid   15 and name  HB1)
assign (resid   14 and name   HN) (resid   24 and name   HA) 3.242 1.314 1.314 !HCNnoesy, no=115, id=2229, vol=8.620000e+07
assign (resid   14 and name   HN) (resid   13 and name   HA) 2.807 0.985 0.985 !HCNnoesy, no=116, id=2230, vol=3.100000e+08
assign (resid   14 and name   HN) (resid   14 and name   HA) 3.028 1.146 1.146 !HCNnoesy, no=117, id=2231, vol=1.370000e+08
assign (resid   14 and name   HN) (resid   23 and name HG12) 3.079 1.185 1.185 !HCNnoesy, no=119, id=2233, vol=1.320000e+08
    or (resid   14 and name   HN) (resid   23 and name HG11)
    or (resid   14 and name   HN) (resid   23 and name HG13)
assign (resid   14 and name   HN) (resid   13 and name  HB2) 2.713 0.920 0.920 !HCNnoesy, no=120, id=2234, vol=2.260000e+08
    or (resid   14 and name   HN) (resid   13 and name  HB1)
assign (resid   14 and name   HN) (resid   25 and name  HB2) 4.137 2.139 2.139 !HCNnoesy, no=122, id=2236, vol=3.730000e+07
    or (resid   14 and name   HN) (resid   25 and name  HB1)
assign (resid   35 and name   HN) (resid   33 and name  HB2) 2.948 1.087 1.087 !HCNnoesy, no=123, id=2237, vol=1.510000e+08
    or (resid   35 and name   HN) (resid   33 and name  HB1)
assign (resid   35 and name   HN) (resid   33 and name  HG2) 3.444 1.483 1.483 !HCNnoesy, no=124, id=2238, vol=9.700000e+07
    or (resid   35 and name   HN) (resid   33 and name  HG1)
assign (resid   35 and name   HN) (resid   36 and name  HB2) 3.815 1.819 1.859 !HCNnoesy, no=125, id=2239, vol=3.230000e+07
    or (resid   35 and name   HN) (resid   36 and name  HB1)
    or (resid   35 and name   HN) (resid   36 and name  HB3)
assign (resid   35 and name   HN) (resid   35 and name   HA) 2.675 0.894 0.894 !HCNnoesy, no=128, id=2242, vol=4.490000e+08
assign (resid   35 and name   HN) (resid   38 and name  HA2) 2.885 1.040 1.040 !HCNnoesy, no=129, id=2243, vol=1.780000e+08
    or (resid   35 and name   HN) (resid   38 and name  HA1)
assign (resid   35 and name   HN) (resid   34 and name  HB2) 2.665 0.887 0.887 !HCNnoesy, no=130, id=2244, vol=3.380000e+08
    or (resid   35 and name   HN) (resid   34 and name  HB1)
assign (resid   35 and name   HN) (resid   40 and name  HB2) 3.522 1.551 1.551 !HCNnoesy, no=132, id=2246, vol=1.360000e+08
    or (resid   35 and name   HN) (resid   40 and name  HB1)
assign (resid   35 and name   HN) (resid   35 and name  HB2) 2.333 0.680 0.680 !HCNnoesy, no=133, id=2247, vol=6.960000e+08
    or (resid   35 and name   HN) (resid   35 and name  HB1)
assign (resid   35 and name   HN) (resid   41 and name  HG2) 3.551 1.576 1.576 !HCNnoesy, no=134, id=2248, vol=1.990000e+08
    or (resid   35 and name   HN) (resid   41 and name  HG1)
assign (resid   35 and name   HN) (resid   33 and name  HD2) 3.508 3.508 2.992 !HCNnoesy, no=135, id=2249, vol=9.260000e+07
    or (resid   35 and name   HN) (resid   33 and name  HD1)
assign (resid   35 and name   HN) (resid   23 and name HG22) 3.191 1.272 1.272 !HCNnoesy, no=136, id=2250, vol=2.270000e+08
    or (resid   35 and name   HN) (resid   23 and name HG21)
    or (resid   35 and name   HN) (resid   23 and name HG23)
assign (resid   35 and name   HN) (resid   39 and name  HB2) 3.113 3.113 3.387 !HCNnoesy, no=137, id=2251, vol=2.040000e+08
    or (resid   35 and name   HN) (resid   39 and name  HB1)
    or (resid   35 and name   HN) (resid   39 and name  HB3)
assign (resid   27 and name   HN) (resid   25 and name   HA) 3.508 1.538 1.538 !HCNnoesy, no=140, id=2254, vol=1.140000e+08
assign (resid   27 and name   HN) (resid   26 and name   HA) 3.212 1.290 1.290 !HCNnoesy, no=141, id=2255, vol=1.310000e+08
assign (resid   27 and name   HN) (resid   27 and name   HA) 2.795 0.977 0.977 !HCNnoesy, no=143, id=2257, vol=2.790000e+08
assign (resid   27 and name   HN) (resid   28 and name  HB2) 3.212 1.290 1.290 !HCNnoesy, no=145, id=2259, vol=1.390000e+08
    or (resid   27 and name   HN) (resid   28 and name  HB1)
assign (resid   27 and name   HN) (resid   24 and name  HB2) 3.191 1.272 1.272 !HCNnoesy, no=146, id=2260, vol=1.640000e+08
    or (resid   27 and name   HN) (resid   24 and name  HB1)
assign (resid   27 and name   HN) (resid   27 and name  HB2) 2.557 0.817 0.817 !HCNnoesy, no=147, id=2261, vol=5.020000e+08
    or (resid   27 and name   HN) (resid   27 and name  HB1)
assign (resid   27 and name   HN) (resid   23 and name HG12) 3.986 1.986 1.986 !HCNnoesy, no=151, id=2265, vol=1.480000e+08
    or (resid   27 and name   HN) (resid   23 and name HG11)
    or (resid   27 and name   HN) (resid   23 and name HG13)
assign (resid   26 and name   HN) (resid   25 and name   HA) 3.581 1.603 1.603 !HCNnoesy, no=152, id=2266, vol=1.810000e+08
assign (resid   26 and name   HN) (resid   24 and name  HB2) 3.132 1.226 1.226 !HCNnoesy, no=153, id=2267, vol=1.680000e+08
    or (resid   26 and name   HN) (resid   24 and name  HB1)
assign (resid   26 and name   HN) (resid   26 and name  HG2) 2.858 1.021 1.021 !HCNnoesy, no=154, id=2268, vol=3.230000e+08
    or (resid   26 and name   HN) (resid   26 and name  HG1)
assign (resid   26 and name   HN) (resid   26 and name   HA) 2.649 0.877 0.877 !HCNnoesy, no=156, id=2270, vol=2.740000e+08
assign (resid   26 and name   HN) (resid   26 and name  HD2) 3.132 1.226 1.226 !HCNnoesy, no=157, id=2271, vol=1.290000e+08
    or (resid   26 and name   HN) (resid   26 and name  HD1)
assign (resid   37 and name   HN) (resid   36 and name   HA) 2.776 0.964 0.964 !HCNnoesy, no=161, id=2275, vol=3.000000e+08
assign (resid   37 and name   HN) (resid   37 and name   HA) 2.437 0.742 0.742 !HCNnoesy, no=162, id=2276, vol=6.520000e+08
assign (resid   37 and name   HN) (resid   38 and name  HA2) 2.885 2.885 3.615 !HCNnoesy, no=163, id=2277, vol=2.050000e+08
    or (resid   37 and name   HN) (resid   38 and name  HA1)
assign (resid   37 and name   HN) (resid   37 and name  HB2) 2.410 0.726 0.726 !HCNnoesy, no=164, id=2278, vol=7.530000e+08
    or (resid   37 and name   HN) (resid   37 and name  HB1)
assign (resid   37 and name   HN) (resid   35 and name  HB2) 2.784 0.969 0.969 !HCNnoesy, no=165, id=2279, vol=1.840000e+08
    or (resid   37 and name   HN) (resid   35 and name  HB1)
assign (resid   37 and name   HN) (resid   19 and name HG21) 3.566 1.589 1.589 !HCNnoesy, no=166, id=2280, vol=1.280000e+08
    or (resid   37 and name   HN) (resid   19 and name HG22)
    or (resid   37 and name   HN) (resid   19 and name HG23)
assign (resid   37 and name   HN) (resid   39 and name  HB2) 3.198 1.278 1.278 !HCNnoesy, no=167, id=2281, vol=9.040000e+07
    or (resid   37 and name   HN) (resid   39 and name  HB1)
    or (resid   37 and name   HN) (resid   39 and name  HB3)
assign (resid   37 and name   HN) (resid   36 and name  HB2) 2.338 0.683 0.683 !HCNnoesy, no=168, id=2282, vol=7.030000e+08
    or (resid   37 and name   HN) (resid   36 and name  HB1)
    or (resid   37 and name   HN) (resid   36 and name  HB3)
assign (resid   37 and name   HN) (resid   33 and name  HD2) 3.840 1.843 1.843 !HCNnoesy, no=169, id=2283, vol=5.240000e+07
    or (resid   37 and name   HN) (resid   33 and name  HD1)
assign (resid   28 and name   HN) (resid   25 and name   HA) 2.727 0.929 0.929 !HCNnoesy, no=170, id=2284, vol=2.440000e+08
assign (resid   28 and name   HN) (resid   26 and name   HA) 3.102 1.203 1.203 !HCNnoesy, no=171, id=2285, vol=9.670000e+07
assign (resid   28 and name   HN) (resid   28 and name   HA) 2.917 1.064 1.064 !HCNnoesy, no=172, id=2286, vol=2.110000e+08
assign (resid   28 and name   HN) (resid   27 and name   HA) 2.858 1.021 1.021 !HCNnoesy, no=173, id=2287, vol=1.990000e+08
assign (resid   28 and name   HN) (resid   28 and name  HB2) 2.313 0.669 0.669 !HCNnoesy, no=175, id=2289, vol=8.450000e+08
    or (resid   28 and name   HN) (resid   28 and name  HB1)
assign (resid   28 and name   HN) (resid   25 and name  HG2) 3.685 1.698 1.698 !HCNnoesy, no=176, id=2290, vol=1.690000e+08
    or (resid   28 and name   HN) (resid   25 and name  HG1)
assign (resid   28 and name   HN) (resid   27 and name  HB2) 3.058 1.169 1.169 !HCNnoesy, no=178, id=2292, vol=1.850000e+08
    or (resid   28 and name   HN) (resid   27 and name  HB1)
assign (resid   28 and name   HN) (resid   28 and name HD22) 2.428 2.428 4.072 !HCNnoesy, no=180, id=2294, vol=5.560000e+08
    or (resid   28 and name   HN) (resid   28 and name HD21)
    or (resid   28 and name   HN) (resid   28 and name HD23)
assign (resid   28 and name   HN) (resid   28 and name HD12) 2.534 0.802 0.802 !HCNnoesy, no=181, id=2295, vol=4.870000e+08
    or (resid   28 and name   HN) (resid   28 and name HD11)
    or (resid   28 and name   HN) (resid   28 and name HD13)
assign (resid   28 and name   HN) (resid   45 and name  HB2) 3.482 1.515 1.715 !HCNnoesy, no=182, id=2296, vol=1.050000e+08
    or (resid   28 and name   HN) (resid   45 and name  HB1)
    or (resid   28 and name   HN) (resid   45 and name  HB3)
assign (resid   80 and name   HN) (resid   80 and name   HA) 2.097 2.097 4.403 !HCNnoesy, no=183, id=2297, vol=1.330000e+09
assign (resid   80 and name   HN) (resid   79 and name   HA) 1.974 1.974 4.526 !HCNnoesy, no=184, id=2298, vol=1.920000e+09
assign (resid   80 and name   HN) (resid   80 and name  HB2) 1.925 0.463 0.563 !HCNnoesy, no=185, id=2299, vol=1.850000e+09
    or (resid   80 and name   HN) (resid   80 and name  HB1)
assign (resid   80 and name   HN) (resid   77 and name  HB2) 3.746 1.754 1.754 !HCNnoesy, no=187, id=2301, vol=3.320000e+07
    or (resid   80 and name   HN) (resid   77 and name  HB1)
assign (resid   80 and name   HN) (resid   78 and name  HB2) 2.878 2.878 3.622 !HCNnoesy, no=188, id=2302, vol=1.270000e+08
    or (resid   80 and name   HN) (resid   78 and name  HB1)
assign (resid   80 and name   HN) (resid   80 and name HD12) 2.467 0.760 0.760 !HCNnoesy, no=191, id=2305, vol=3.320000e+08
    or (resid   80 and name   HN) (resid   80 and name HD11)
    or (resid   80 and name   HN) (resid   80 and name HD13)
assign (resid   50 and name HD21) (resid   50 and name   HA) 3.866 1.869 1.869 !HCNnoesy, no=192, id=2306, vol=3.260000e+07
assign (resid   50 and name HD21) (resid   50 and name  HB2) 2.584 0.835 0.835 !HCNnoesy, no=193, id=2307, vol=2.600000e+08
    or (resid   50 and name HD21) (resid   50 and name  HB1)
assign (resid   50 and name HD22) (resid   50 and name  HB2) 2.591 0.839 0.839 !HCNnoesy, no=194, id=2308, vol=1.450000e+08
    or (resid   50 and name HD22) (resid   50 and name  HB1)
assign (resid   13 and name   HN) (resid   13 and name  HB2) 2.189 0.599 0.599 !HCNnoesy, no=196, id=2310, vol=7.620000e+08
    or (resid   13 and name   HN) (resid   13 and name  HB1)
assign (resid   13 and name   HN) (resid   11 and name   HA) 3.132 3.132 3.368 !HCNnoesy, no=197, id=2311, vol=1.160000e+08
assign (resid   13 and name   HN) (resid   11 and name  HD2) 3.953 1.954 1.954 !HCNnoesy, no=200, id=2314, vol=2.090000e+07
    or (resid   13 and name   HN) (resid   11 and name  HD1)
assign (resid   13 and name   HN) (resid   10 and name  HA2) 3.894 1.895 1.895 !HCNnoesy, no=201, id=2315, vol=2.630000e+07
    or (resid   13 and name   HN) (resid   10 and name  HA1)
assign (resid   13 and name   HN) (resid    9 and name  HB2) 3.378 3.378 3.122 !HCNnoesy, no=203, id=2317, vol=7.970000e+07
    or (resid   13 and name   HN) (resid    9 and name  HB1)
assign (resid   13 and name   HN) (resid   25 and name  HG2) 3.631 1.648 1.648 !HCNnoesy, no=204, id=2318, vol=6.950000e+07
    or (resid   13 and name   HN) (resid   25 and name  HG1)
assign (resid   13 and name   HN) (resid   25 and name  HB2) 3.551 1.576 1.576 !HCNnoesy, no=206, id=2320, vol=8.260000e+07
    or (resid   13 and name   HN) (resid   25 and name  HB1)
assign (resid   41 and name   HN) (resid   39 and name   HA) 3.014 1.135 1.235 !HCNnoesy, no=208, id=2322, vol=2.540000e+08
assign (resid   41 and name   HN) (resid   38 and name  HA2) 3.198 1.278 1.278 !HCNnoesy, no=209, id=2323, vol=1.110000e+08
    or (resid   41 and name   HN) (resid   38 and name  HA1)
assign (resid   41 and name   HN) (resid   33 and name  HE2) 4.056 2.057 2.057 !HCNnoesy, no=210, id=2324, vol=3.150000e+08
    or (resid   41 and name   HN) (resid   33 and name  HE1)
assign (resid   41 and name   HN) (resid   40 and name  HB2) 3.157 1.246 1.246 !HCNnoesy, no=211, id=2325, vol=1.180000e+08
    or (resid   41 and name   HN) (resid   40 and name  HB1)
assign (resid   41 and name   HN) (resid   47 and name  HB2) 3.666 1.680 1.680 !HCNnoesy, no=212, id=2326, vol=1.890000e+08
    or (resid   41 and name   HN) (resid   47 and name  HB1)
assign (resid   41 and name   HN) (resid   33 and name  HG2) 3.522 1.551 1.551 !HCNnoesy, no=213, id=2327, vol=5.190000e+07
    or (resid   41 and name   HN) (resid   33 and name  HG1)
assign (resid   41 and name   HN) (resid   42 and name  HB2) 2.842 2.842 3.658 !HCNnoesy, no=215, id=2329, vol=1.780000e+08
    or (resid   41 and name   HN) (resid   42 and name  HB1)
assign (resid   41 and name   HN) (resid   35 and name  HB2) 3.457 1.493 1.493 !HCNnoesy, no=217, id=2331, vol=2.330000e+08
    or (resid   41 and name   HN) (resid   35 and name  HB1)
assign (resid   41 and name   HN) (resid   41 and name  HG2) 2.573 0.828 0.828 !HCNnoesy, no=218, id=2332, vol=4.370000e+08
    or (resid   41 and name   HN) (resid   41 and name  HG1)
assign (resid   41 and name   HN) (resid   41 and name  HB2) 2.349 0.690 0.690 !HCNnoesy, no=219, id=2333, vol=7.290000e+08
    or (resid   41 and name   HN) (resid   41 and name  HB1)
assign (resid   42 and name   HN) (resid   42 and name  HB2) 2.299 0.661 0.661 !HCNnoesy, no=223, id=2337, vol=7.530000e+08
    or (resid   42 and name   HN) (resid   42 and name  HB1)
assign (resid   42 and name   HN) (resid   42 and name   HA) 2.572 0.827 0.827 !HCNnoesy, no=224, id=2338, vol=5.550000e+08
assign (resid   42 and name   HN) (resid   39 and name   HA) 2.892 1.046 1.046 !HCNnoesy, no=225, id=2339, vol=1.950000e+08
assign (resid   42 and name   HN) (resid   38 and name  HA2) 3.666 1.680 1.680 !HCNnoesy, no=227, id=2341, vol=5.260000e+07
    or (resid   42 and name   HN) (resid   38 and name  HA1)
assign (resid   42 and name   HN) (resid   35 and name  HB2) 3.614 1.632 1.632 !HCNnoesy, no=229, id=2343, vol=1.120000e+08
    or (resid   42 and name   HN) (resid   35 and name  HB1)
assign (resid   42 and name   HN) (resid   41 and name  HG2) 3.108 1.207 1.207 !HCNnoesy, no=230, id=2344, vol=1.310000e+08
    or (resid   42 and name   HN) (resid   41 and name  HG1)
assign (resid   42 and name   HN) (resid   47 and name  HB2) 3.235 1.308 1.308 !HCNnoesy, no=231, id=2345, vol=1.090000e+08
    or (resid   42 and name   HN) (resid   47 and name  HB1)
assign (resid   42 and name   HN) (resid   41 and name  HB2) 2.743 0.941 0.941 !HCNnoesy, no=232, id=2346, vol=2.390000e+08
    or (resid   42 and name   HN) (resid   41 and name  HB1)
assign (resid   42 and name   HN) (resid   28 and name   HG) 3.705 1.716 1.716 !HCNnoesy, no=233, id=2347, vol=4.070000e+07
assign (resid   42 and name   HN) (resid   44 and name  HB2) 3.338 1.392 1.392 !HCNnoesy, no=236, id=2350, vol=5.290000e+07
    or (resid   42 and name   HN) (resid   44 and name  HB1)
    or (resid   42 and name   HN) (resid   44 and name  HB3)
assign (resid   42 and name   HN) (resid   43 and name HG22) 3.923 1.923 1.923 !HCNnoesy, no=237, id=2351, vol=3.190000e+07
    or (resid   42 and name   HN) (resid   43 and name HG21)
    or (resid   42 and name   HN) (resid   43 and name HG23)
assign (resid   47 and name   HN) (resid   46 and name  HA2) 2.276 0.647 0.647 !HCNnoesy, no=240, id=2354, vol=1.160000e+09
    or (resid   47 and name   HN) (resid   46 and name  HA1)
assign (resid   47 and name   HN) (resid   43 and name   HB) 3.347 1.400 1.400 !HCNnoesy, no=242, id=2356, vol=1.140000e+08
assign (resid   47 and name   HN) (resid   47 and name  HB2) 2.138 0.571 0.571 !HCNnoesy, no=243, id=2357, vol=1.550000e+09
    or (resid   47 and name   HN) (resid   47 and name  HB1)
assign (resid   47 and name   HN) (resid   43 and name HG12) 3.283 1.347 1.347 !HCNnoesy, no=244, id=2358, vol=9.210000e+07
    or (resid   47 and name   HN) (resid   43 and name HG11)
assign (resid   47 and name   HN) (resid   28 and name   HG) 3.184 1.267 1.417 !HCNnoesy, no=245, id=2359, vol=5.750000e+07
assign (resid   47 and name   HN) (resid   48 and name HD12) 3.085 1.190 1.190 !HCNnoesy, no=247, id=2361, vol=1.050000e+08
    or (resid   47 and name   HN) (resid   48 and name HD11)
    or (resid   47 and name   HN) (resid   48 and name HD13)
assign (resid   47 and name   HN) (resid   45 and name  HB2) 2.421 0.733 0.933 !HCNnoesy, no=248, id=2362, vol=4.770000e+08
    or (resid   47 and name   HN) (resid   45 and name  HB1)
    or (resid   47 and name   HN) (resid   45 and name  HB3)
assign (resid   47 and name   HN) (resid   44 and name  HB2) 3.212 3.212 3.288 !HCNnoesy, no=249, id=2363, vol=1.570000e+08
    or (resid   47 and name   HN) (resid   44 and name  HB1)
    or (resid   47 and name   HN) (resid   44 and name  HB3)
assign (resid   47 and name   HN) (resid   43 and name HG22) 3.009 3.009 3.491 !HCNnoesy, no=250, id=2364, vol=1.590000e+08
    or (resid   47 and name   HN) (resid   43 and name HG21)
    or (resid   47 and name   HN) (resid   43 and name HG23)
assign (resid   47 and name   HN) (resid   43 and name HD12) 2.953 1.090 1.090 !HCNnoesy, no=251, id=2365, vol=1.210000e+08
    or (resid   47 and name   HN) (resid   43 and name HD11)
    or (resid   47 and name   HN) (resid   43 and name HD13)
assign (resid   47 and name   HN) (resid   43 and name   HA) 2.265 0.641 0.641 !HCNnoesy, no=252, id=2366, vol=8.740000e+08
assign (resid   47 and name   HN) (resid   47 and name   HA) 2.517 0.792 0.792 !HCNnoesy, no=253, id=2367, vol=5.640000e+08
assign (resid   45 and name   HN) (resid   42 and name  HB2) 3.614 1.632 1.632 !HCNnoesy, no=254, id=2368, vol=1.020000e+08
    or (resid   45 and name   HN) (resid   42 and name  HB1)
assign (resid   45 and name   HN) (resid   44 and name   HA) 2.614 0.854 0.854 !HCNnoesy, no=255, id=2369, vol=4.260000e+08
assign (resid   45 and name   HN) (resid   45 and name   HA) 2.350 0.690 0.690 !HCNnoesy, no=256, id=2370, vol=6.460000e+08
assign (resid   45 and name   HN) (resid   46 and name  HA2) 2.640 2.640 3.860 !HCNnoesy, no=257, id=2371, vol=3.590000e+08
    or (resid   45 and name   HN) (resid   46 and name  HA1)
assign (resid   45 and name   HN) (resid   47 and name  HB2) 3.522 1.551 1.551 !HCNnoesy, no=258, id=2372, vol=1.310000e+08
    or (resid   45 and name   HN) (resid   47 and name  HB1)
assign (resid   45 and name   HN) (resid   28 and name HD12) 3.648 1.664 1.664 !HCNnoesy, no=259, id=2373, vol=1.160000e+08
    or (resid   45 and name   HN) (resid   28 and name HD11)
    or (resid   45 and name   HN) (resid   28 and name HD13)
assign (resid   45 and name   HN) (resid   45 and name  HB2) 1.989 0.495 0.495 !HCNnoesy, no=260, id=2374, vol=1.750000e+09
    or (resid   45 and name   HN) (resid   45 and name  HB1)
    or (resid   45 and name   HN) (resid   45 and name  HB3)
assign (resid   45 and name   HN) (resid   44 and name  HB2) 2.202 0.606 0.606 !HCNnoesy, no=261, id=2375, vol=8.080000e+08
    or (resid   45 and name   HN) (resid   44 and name  HB1)
    or (resid   45 and name   HN) (resid   44 and name  HB3)
assign (resid   45 and name   HN) (resid   43 and name   HA) 2.732 0.933 0.933 !HCNnoesy, no=262, id=2376, vol=1.560000e+08
assign (resid   45 and name   HN) (resid   43 and name   HB) 3.666 1.680 1.680 !HCNnoesy, no=263, id=2377, vol=8.500000e+07
assign (resid   45 and name   HN) (resid   43 and name HG12) 3.953 1.954 1.954 !HCNnoesy, no=264, id=2378, vol=8.100000e+07
    or (resid   45 and name   HN) (resid   43 and name HG11)
assign (resid   45 and name   HN) (resid   28 and name HD22) 3.319 1.377 1.377 !HCNnoesy, no=265, id=2379, vol=7.810000e+07
    or (resid   45 and name   HN) (resid   28 and name HD21)
    or (resid   45 and name   HN) (resid   28 and name HD23)
assign (resid   32 and name   HN) (resid   29 and name  HB2) 3.923 1.923 2.223 !HCNnoesy, no=267, id=2381, vol=1.060000e+08
    or (resid   32 and name   HN) (resid   29 and name  HB1)
assign (resid   32 and name   HN) (resid   33 and name   HA) 4.056 2.057 2.057 !HCNnoesy, no=270, id=2384, vol=1.140000e+08
assign (resid   32 and name   HN) (resid   32 and name   HA) 2.430 0.738 0.738 !HCNnoesy, no=271, id=2385, vol=6.570000e+08
assign (resid   32 and name   HN) (resid   31 and name  HA2) 2.224 0.618 0.618 !HCNnoesy, no=272, id=2386, vol=1.320000e+09
    or (resid   32 and name   HN) (resid   31 and name  HA1)
assign (resid   32 and name   HN) (resid   32 and name  HB2) 2.162 0.584 0.884 !HCNnoesy, no=273, id=2387, vol=1.750000e+09
    or (resid   32 and name   HN) (resid   32 and name  HB1)
assign (resid   32 and name   HN) (resid   41 and name  HG2) 3.768 1.775 1.775 !HCNnoesy, no=274, id=2388, vol=8.660000e+07
    or (resid   32 and name   HN) (resid   41 and name  HG1)
assign (resid   19 and name   HN) (resid   19 and name   HB) 3.614 1.632 1.632 !HCNnoesy, no=275, id=2389, vol=1.920000e+08
assign (resid   19 and name   HN) (resid   35 and name  HB2) 4.137 2.139 2.139 !HCNnoesy, no=276, id=2390, vol=4.100000e+07
    or (resid   19 and name   HN) (resid   35 and name  HB1)
assign (resid   19 and name   HN) (resid   17 and name  HB2) 3.866 1.869 1.869 !HCNnoesy, no=277, id=2391, vol=1.390000e+08
    or (resid   19 and name   HN) (resid   17 and name  HB1)
assign (resid   19 and name   HN) (resid   19 and name   HA) 2.675 0.894 0.894 !HCNnoesy, no=279, id=2393, vol=2.620000e+08
assign (resid   19 and name   HN) (resid   16 and name   HA) 4.020 2.020 2.020 !HCNnoesy, no=280, id=2394, vol=1.480000e+08
assign (resid   19 and name   HN) (resid   18 and name  HA2) 2.545 0.810 0.810 !HCNnoesy, no=281, id=2395, vol=4.110000e+08
    or (resid   19 and name   HN) (resid   18 and name  HA1)
assign (resid   19 and name   HN) (resid   16 and name  HB2) 3.469 1.504 1.504 !HCNnoesy, no=282, id=2396, vol=7.810000e+07
    or (resid   19 and name   HN) (resid   16 and name  HB1)
assign (resid   19 and name   HN) (resid   17 and name  HG2) 3.840 1.843 1.843 !HCNnoesy, no=283, id=2397, vol=1.370000e+08
    or (resid   19 and name   HN) (resid   17 and name  HG1)
assign (resid   19 and name   HN) (resid   19 and name HG21) 2.328 0.678 0.678 !HCNnoesy, no=285, id=2399, vol=8.110000e+08
    or (resid   19 and name   HN) (resid   19 and name HG22)
    or (resid   19 and name   HN) (resid   19 and name HG23)
assign (resid   19 and name   HN) (resid   39 and name  HB2) 3.866 1.869 1.869 !HCNnoesy, no=286, id=2400, vol=9.850000e+07
    or (resid   19 and name   HN) (resid   39 and name  HB1)
    or (resid   19 and name   HN) (resid   39 and name  HB3)
assign (resid   44 and name   HN) (resid   43 and name HD12) 4.020 2.020 2.020 !HCNnoesy, no=287, id=2401, vol=2.160000e+08
    or (resid   44 and name   HN) (resid   43 and name HD11)
    or (resid   44 and name   HN) (resid   43 and name HD13)
assign (resid   44 and name   HN) (resid   43 and name   HA) 3.986 1.986 1.986 !HCNnoesy, no=288, id=2402, vol=4.760000e+07
assign (resid   44 and name   HN) (resid   43 and name   HB) 3.791 1.797 1.797 !HCNnoesy, no=289, id=2403, vol=1.160000e+08
assign (resid   73 and name   HN) (resid   70 and name  HB2) 4.340 2.354 2.354 !HCNnoesy, no=291, id=2405, vol=2.810000e+09
    or (resid   73 and name   HN) (resid   70 and name  HB1)
assign (resid   72 and name   HN) (resid   69 and name   HA) 3.705 1.716 1.716 !HCNnoesy, no=295, id=2409, vol=3.720000e+07
assign (resid   65 and name   HN) (resid   64 and name   HA) 3.113 1.212 1.212 !HCNnoesy, no=300, id=2414, vol=1.490000e+08
assign (resid   65 and name   HN) (resid   65 and name   HA) 2.677 0.896 0.896 !HCNnoesy, no=302, id=2416, vol=3.770000e+08
assign (resid   65 and name   HN) (resid   65 and name  HD2) 3.163 1.251 1.251 !HCNnoesy, no=303, id=2417, vol=8.630000e+07
    or (resid   65 and name   HN) (resid   65 and name  HD1)
assign (resid   65 and name   HN) (resid   64 and name  HB2) 2.855 1.019 1.019 !HCNnoesy, no=304, id=2418, vol=1.940000e+08
    or (resid   65 and name   HN) (resid   64 and name  HB1)
assign (resid   65 and name   HN) (resid   65 and name  HB2) 2.520 0.794 0.794 !HCNnoesy, no=305, id=2419, vol=5.120000e+08
    or (resid   65 and name   HN) (resid   65 and name  HB1)
assign (resid   65 and name   HN) (resid   65 and name  HG2) 2.709 0.917 0.917 !HCNnoesy, no=306, id=2420, vol=3.000000e+08
    or (resid   65 and name   HN) (resid   65 and name  HG1)
assign (resid   65 and name   HN) (resid   64 and name HD12) 3.566 1.589 1.589 !HCNnoesy, no=308, id=2422, vol=5.740000e+07
    or (resid   65 and name   HN) (resid   64 and name HD11)
    or (resid   65 and name   HN) (resid   64 and name HD13)
assign (resid   76 and name   HN) (resid   76 and name  HB2) 3.631 1.648 1.648 !HCNnoesy, no=310, id=2424, vol=1.790000e+08
    or (resid   76 and name   HN) (resid   76 and name  HB1)
assign (resid   76 and name   HN) (resid   76 and name  HG2) 3.705 1.716 1.716 !HCNnoesy, no=311, id=2425, vol=7.920000e+07
    or (resid   76 and name   HN) (resid   76 and name  HG1)
assign (resid   49 and name   HN) (resid   48 and name HD12) 3.495 1.527 1.527 !HCNnoesy, no=314, id=2428, vol=1.570000e+08
    or (resid   49 and name   HN) (resid   48 and name HD11)
    or (resid   49 and name   HN) (resid   48 and name HD13)
assign (resid   49 and name   HN) (resid   48 and name   HA) 2.852 1.017 1.017 !HCNnoesy, no=316, id=2430, vol=2.280000e+08
assign (resid   49 and name   HN) (resid   49 and name  HB2) 2.691 0.905 0.905 !HCNnoesy, no=317, id=2431, vol=2.890000e+08
    or (resid   49 and name   HN) (resid   49 and name  HB1)
assign (resid   49 and name   HN) (resid   47 and name  HB2) 3.986 1.986 1.986 !HCNnoesy, no=318, id=2432, vol=4.210000e+07
    or (resid   49 and name   HN) (resid   47 and name  HB1)
assign (resid   63 and name   HN) (resid   61 and name   HB) 3.866 1.869 1.869 !HCNnoesy, no=319, id=2433, vol=6.290000e+07
assign (resid   63 and name   HN) (resid   63 and name  HG2) 2.411 0.727 0.727 !HCNnoesy, no=322, id=2436, vol=5.250000e+08
    or (resid   63 and name   HN) (resid   63 and name  HG1)
assign (resid   63 and name   HN) (resid   64 and name  HB2) 4.095 2.096 2.096 !HCNnoesy, no=325, id=2439, vol=3.660000e+08
    or (resid   63 and name   HN) (resid   64 and name  HB1)
assign (resid   21 and name   HN) (resid   16 and name  HB2) 3.791 1.797 1.797 !HCNnoesy, no=326, id=2440, vol=1.180000e+08
    or (resid   21 and name   HN) (resid   16 and name  HB1)
assign (resid   21 and name   HN) (resid   19 and name   HB) 3.495 1.527 1.527 !HCNnoesy, no=327, id=2441, vol=1.560000e+08
assign (resid   21 and name   HN) (resid   21 and name   HA) 3.631 1.648 1.648 !HCNnoesy, no=328, id=2442, vol=2.950000e+08
assign (resid   21 and name   HN) (resid   21 and name HG12) 2.299 0.661 0.661 !HCNnoesy, no=331, id=2445, vol=1.310000e+09
    or (resid   21 and name   HN) (resid   21 and name HG11)
    or (resid   21 and name   HN) (resid   21 and name HG13)
assign (resid   75 and name   HN) (resid   75 and name  HB2) 2.589 0.838 0.838 !HCNnoesy, no=334, id=2448, vol=4.020000e+08
    or (resid   75 and name   HN) (resid   75 and name  HB1)
assign (resid   75 and name   HN) (resid   74 and name  HB2) 3.170 1.256 1.256 !HCNnoesy, no=335, id=2449, vol=1.980000e+08
    or (resid   75 and name   HN) (resid   74 and name  HB1)
assign (resid   75 and name   HN) (resid   75 and name HD12) 3.004 1.128 1.128 !HCNnoesy, no=339, id=2453, vol=1.540000e+08
    or (resid   75 and name   HN) (resid   75 and name HD11)
    or (resid   75 and name   HN) (resid   75 and name HD13)
assign (resid   15 and name   HN) (resid   15 and name  HB2) 2.144 0.575 0.575 !HCNnoesy, no=341, id=2455, vol=1.360000e+09
    or (resid   15 and name   HN) (resid   15 and name  HB1)
assign (resid   15 and name   HN) (resid   14 and name   HA) 2.243 0.629 0.629 !HCNnoesy, no=343, id=2457, vol=1.250000e+09
assign (resid   15 and name   HN) (resid   23 and name HG12) 3.666 1.680 1.680 !HCNnoesy, no=344, id=2458, vol=1.700000e+08
    or (resid   15 and name   HN) (resid   23 and name HG11)
    or (resid   15 and name   HN) (resid   23 and name HG13)
assign (resid   15 and name   HN) (resid   22 and name   HA) 3.705 1.716 1.716 !HCNnoesy, no=346, id=2460, vol=1.170000e+08
assign (resid   15 and name   HN) (resid   14 and name  HB2) 2.875 1.033 1.033 !HCNnoesy, no=347, id=2461, vol=2.390000e+08
    or (resid   15 and name   HN) (resid   14 and name  HB1)
assign (resid   15 and name   HN) (resid    9 and name  HB2) 3.666 1.680 1.680 !HCNnoesy, no=348, id=2462, vol=1.110000e+08
    or (resid   15 and name   HN) (resid    9 and name  HB1)
assign (resid   64 and name   HN) (resid   61 and name   HA) 4.137 2.139 2.139 !HCNnoesy, no=352, id=2466, vol=3.170000e+08
assign (resid   64 and name   HN) (resid   64 and name  HB2) 2.195 0.602 0.602 !HCNnoesy, no=356, id=2470, vol=7.520000e+08
    or (resid   64 and name   HN) (resid   64 and name  HB1)
assign (resid   64 and name   HN) (resid   63 and name  HG2) 3.043 1.157 1.157 !HCNnoesy, no=357, id=2471, vol=1.720000e+08
    or (resid   64 and name   HN) (resid   63 and name  HG1)
assign (resid   64 and name   HN) (resid   63 and name  HB2) 2.493 0.777 0.777 !HCNnoesy, no=358, id=2472, vol=4.640000e+08
    or (resid   64 and name   HN) (resid   63 and name  HB1)
assign (resid   64 and name   HN) (resid   64 and name HD12) 3.014 1.135 1.135 !HCNnoesy, no=361, id=2475, vol=1.880000e+08
    or (resid   64 and name   HN) (resid   64 and name HD11)
    or (resid   64 and name   HN) (resid   64 and name HD13)
assign (resid    5 and name   HN) (resid    4 and name   HA) 2.878 1.036 1.036 !HCNnoesy, no=368, id=2482, vol=2.040000e+08
assign (resid   68 and name   HN) (resid   68 and name  HB2) 2.693 0.907 0.907 !HCNnoesy, no=369, id=2483, vol=2.950000e+08
    or (resid   68 and name   HN) (resid   68 and name  HB1)
assign (resid    5 and name   HN) (resid    5 and name  HG2) 3.768 1.775 1.775 !HCNnoesy, no=370, id=2484, vol=7.830000e+07
    or (resid    5 and name   HN) (resid    5 and name  HG1)
assign (resid   25 and name   HN) (resid   13 and name  HB2) 3.227 1.302 1.302 !HCNnoesy, no=374, id=2488, vol=1.230000e+08
    or (resid   25 and name   HN) (resid   13 and name  HB1)
assign (resid   25 and name   HN) (resid   24 and name   HA) 2.376 0.706 0.706 !HCNnoesy, no=375, id=2489, vol=6.620000e+08
assign (resid   25 and name   HN) (resid   25 and name   HA) 2.711 0.919 0.919 !HCNnoesy, no=376, id=2490, vol=3.260000e+08
assign (resid   25 and name   HN) (resid   13 and name   HA) 2.842 1.010 1.010 !HCNnoesy, no=377, id=2491, vol=3.530000e+08
assign (resid   25 and name   HN) (resid   25 and name  HG2) 2.524 2.524 3.976 !HCNnoesy, no=379, id=2493, vol=4.710000e+08
    or (resid   25 and name   HN) (resid   25 and name  HG1)
assign (resid   25 and name   HN) (resid   24 and name  HB2) 2.713 0.920 0.920 !HCNnoesy, no=380, id=2494, vol=3.100000e+08
    or (resid   25 and name   HN) (resid   24 and name  HB1)
assign (resid   25 and name   HN) (resid   25 and name  HB2) 2.276 0.648 0.648 !HCNnoesy, no=381, id=2495, vol=8.960000e+08
    or (resid   25 and name   HN) (resid   25 and name  HB1)
assign (resid   25 and name   HN) (resid   28 and name HD22) 3.433 1.473 1.473 !HCNnoesy, no=383, id=2497, vol=1.290000e+08
    or (resid   25 and name   HN) (resid   28 and name HD21)
    or (resid   25 and name   HN) (resid   28 and name HD23)
assign (resid   25 and name   HN) (resid   28 and name HD12) 3.894 1.895 1.895 !HCNnoesy, no=384, id=2498, vol=9.510000e+07
    or (resid   25 and name   HN) (resid   28 and name HD11)
    or (resid   25 and name   HN) (resid   28 and name HD13)
assign (resid    4 and name   HN) (resid    3 and name   HA) 3.410 1.453 1.453 !HCNnoesy, no=385, id=2499, vol=1.130000e+08
assign (resid    4 and name   HN) (resid    4 and name  HB2) 3.815 1.819 1.819 !HCNnoesy, no=386, id=2500, vol=8.650000e+07
    or (resid    4 and name   HN) (resid    4 and name  HB1)
assign (resid   48 and name   HN) (resid   47 and name   HA) 2.621 0.859 0.859 !HCNnoesy, no=387, id=2501, vol=3.730000e+08
assign (resid   48 and name   HN) (resid   48 and name HD12) 2.878 1.036 1.036 !HCNnoesy, no=388, id=2502, vol=2.280000e+08
    or (resid   48 and name   HN) (resid   48 and name HD11)
    or (resid   48 and name   HN) (resid   48 and name HD13)
assign (resid   48 and name   HN) (resid   49 and name  HD1) 4.230 2.236 2.236 !HCNnoesy, no=389, id=2503, vol=8.490000e+07
    or (resid   48 and name   HN) (resid   49 and name  HD2)
assign (resid   48 and name   HN) (resid   43 and name   HA) 3.815 1.819 1.819 !HCNnoesy, no=390, id=2504, vol=6.070000e+07
assign (resid   48 and name   HN) (resid   48 and name   HA) 2.763 0.955 0.955 !HCNnoesy, no=391, id=2505, vol=2.680000e+08
assign (resid   48 and name   HN) (resid   48 and name  HB2) 2.487 2.487 4.013 !HCNnoesy, no=392, id=2506, vol=5.000000e+08
    or (resid   48 and name   HN) (resid   48 and name  HB1)
assign (resid   48 and name   HN) (resid   47 and name  HB2) 2.558 0.818 0.818 !HCNnoesy, no=393, id=2507, vol=3.830000e+08
    or (resid   48 and name   HN) (resid   47 and name  HB1)
assign (resid   48 and name   HN) (resid   48 and name   HG) 2.649 2.649 3.851 !HCNnoesy, no=394, id=2508, vol=2.780000e+08
assign (resid   48 and name   HN) (resid   48 and name HD22) 2.729 0.931 0.931 !HCNnoesy, no=395, id=2509, vol=2.060000e+08
    or (resid   48 and name   HN) (resid   48 and name HD21)
    or (resid   48 and name   HN) (resid   48 and name HD23)
assign (resid   79 and name   HN) (resid   78 and name   HA) 2.978 1.108 1.108 !HCNnoesy, no=396, id=2510, vol=1.490000e+08
assign (resid   38 and name   HN) (resid   37 and name   HA) 2.702 0.913 0.913 !HCNnoesy, no=399, id=2513, vol=2.970000e+08
assign (resid   38 and name   HN) (resid   38 and name  HA2) 2.131 0.568 0.568 !HCNnoesy, no=400, id=2514, vol=1.370000e+09
    or (resid   38 and name   HN) (resid   38 and name  HA1)
assign (resid   38 and name   HN) (resid   33 and name  HE2) 2.978 1.108 1.108 !HCNnoesy, no=401, id=2515, vol=1.140000e+08
    or (resid   38 and name   HN) (resid   33 and name  HE1)
assign (resid   38 and name   HN) (resid   37 and name  HB2) 2.995 1.121 1.121 !HCNnoesy, no=402, id=2516, vol=1.370000e+08
    or (resid   38 and name   HN) (resid   37 and name  HB1)
assign (resid   38 and name   HN) (resid   35 and name  HB2) 2.673 0.893 0.893 !HCNnoesy, no=403, id=2517, vol=2.750000e+08
    or (resid   38 and name   HN) (resid   35 and name  HB1)
assign (resid   38 and name   HN) (resid   33 and name  HB2) 2.736 0.936 0.936 !HCNnoesy, no=404, id=2518, vol=2.490000e+08
    or (resid   38 and name   HN) (resid   33 and name  HB1)
assign (resid   38 and name   HN) (resid   33 and name  HD2) 2.685 0.901 0.901 !HCNnoesy, no=405, id=2519, vol=2.510000e+08
    or (resid   38 and name   HN) (resid   33 and name  HD1)
assign (resid   38 and name   HN) (resid   33 and name  HG2) 2.896 1.048 1.048 !HCNnoesy, no=406, id=2520, vol=1.880000e+08
    or (resid   38 and name   HN) (resid   33 and name  HG1)
assign (resid   38 and name   HN) (resid   39 and name  HB2) 2.868 2.868 3.632 !HCNnoesy, no=408, id=2522, vol=1.550000e+08
    or (resid   38 and name   HN) (resid   39 and name  HB1)
    or (resid   38 and name   HN) (resid   39 and name  HB3)
assign (resid   38 and name   HN) (resid   36 and name  HB2) 3.074 1.181 1.331 !HCNnoesy, no=409, id=2523, vol=1.390000e+08
    or (resid   38 and name   HN) (resid   36 and name  HB1)
    or (resid   38 and name   HN) (resid   36 and name  HB3)
assign (resid   46 and name   HN) (resid   43 and name   HB) 3.482 1.515 1.515 !HCNnoesy, no=410, id=2524, vol=8.170000e+07
assign (resid   46 and name   HN) (resid   28 and name HD22) 3.310 1.369 1.369 !HCNnoesy, no=411, id=2525, vol=1.620000e+08
    or (resid   46 and name   HN) (resid   28 and name HD21)
    or (resid   46 and name   HN) (resid   28 and name HD23)
assign (resid   46 and name   HN) (resid   42 and name  HB2) 4.020 2.020 2.020 !HCNnoesy, no=412, id=2526, vol=1.030000e+08
    or (resid   46 and name   HN) (resid   42 and name  HB1)
assign (resid   46 and name   HN) (resid   43 and name   HA) 2.467 0.760 0.760 !HCNnoesy, no=413, id=2527, vol=3.560000e+08
assign (resid   46 and name   HN) (resid   45 and name   HA) 2.577 0.830 0.830 !HCNnoesy, no=416, id=2530, vol=3.640000e+08
assign (resid   46 and name   HN) (resid   46 and name  HA2) 2.002 0.501 0.501 !HCNnoesy, no=417, id=2531, vol=2.580000e+09
    or (resid   46 and name   HN) (resid   46 and name  HA1)
assign (resid   46 and name   HN) (resid   47 and name  HB2) 2.858 1.021 1.021 !HCNnoesy, no=418, id=2532, vol=1.930000e+08
    or (resid   46 and name   HN) (resid   47 and name  HB1)
assign (resid   46 and name   HN) (resid   43 and name HG12) 3.347 1.400 1.400 !HCNnoesy, no=419, id=2533, vol=7.420000e+07
    or (resid   46 and name   HN) (resid   43 and name HG11)
assign (resid   46 and name   HN) (resid   48 and name HD12) 3.258 3.258 3.242 !HCNnoesy, no=421, id=2535, vol=9.970000e+07
    or (resid   46 and name   HN) (resid   48 and name HD11)
    or (resid   46 and name   HN) (resid   48 and name HD13)
assign (resid   46 and name   HN) (resid   45 and name  HB2) 2.316 0.671 0.671 !HCNnoesy, no=422, id=2536, vol=6.160000e+08
    or (resid   46 and name   HN) (resid   45 and name  HB1)
    or (resid   46 and name   HN) (resid   45 and name  HB3)
assign (resid   46 and name   HN) (resid   43 and name HG22) 3.091 3.091 3.409 !HCNnoesy, no=424, id=2538, vol=1.420000e+08
    or (resid   46 and name   HN) (resid   43 and name HG21)
    or (resid   46 and name   HN) (resid   43 and name HG23)
assign (resid   46 and name   HN) (resid   43 and name HD12) 3.631 1.648 1.648 !HCNnoesy, no=425, id=2539, vol=2.110000e+08
    or (resid   46 and name   HN) (resid   43 and name HD11)
    or (resid   46 and name   HN) (resid   43 and name HD13)
assign (resid   66 and name   HN) (resid   66 and name   HA) 2.440 0.744 0.744 !HCNnoesy, no=427, id=2541, vol=4.750000e+08
assign (resid   66 and name   HN) (resid   66 and name   HB) 2.230 0.622 0.622 !HCNnoesy, no=430, id=2544, vol=8.250000e+08
assign (resid   66 and name   HN) (resid   65 and name  HG2) 2.611 0.852 0.852 !HCNnoesy, no=432, id=2546, vol=2.110000e+08
    or (resid   66 and name   HN) (resid   65 and name  HG1)
assign (resid   66 and name   HN) (resid   66 and name HG22) 2.067 0.534 0.534 !HCNnoesy, no=433, id=2547, vol=2.080000e+09
    or (resid   66 and name   HN) (resid   66 and name HG21)
    or (resid   66 and name   HN) (resid   66 and name HG23)
assign (resid   67 and name   HN) (resid   64 and name   HA) 3.597 1.617 1.617 !HCNnoesy, no=437, id=2551, vol=5.640000e+08
assign (resid   67 and name   HN) (resid   66 and name   HB) 3.242 1.314 1.314 !HCNnoesy, no=439, id=2553, vol=1.260000e+08
assign (resid   67 and name   HN) (resid   67 and name  HB2) 2.787 0.971 0.971 !HCNnoesy, no=440, id=2554, vol=3.240000e+08
    or (resid   67 and name   HN) (resid   67 and name  HB1)
assign (resid   67 and name   HN) (resid   67 and name  HG2) 2.827 0.999 0.999 !HCNnoesy, no=441, id=2555, vol=2.750000e+08
    or (resid   67 and name   HN) (resid   67 and name  HG1)
assign (resid   69 and name   HN) (resid   68 and name  HB2) 3.410 1.453 1.453 !HCNnoesy, no=443, id=2557, vol=1.060000e+08
    or (resid   69 and name   HN) (resid   68 and name  HB1)
assign (resid   69 and name   HN) (resid   68 and name HD12) 3.866 1.869 1.869 !HCNnoesy, no=444, id=2558, vol=2.680000e+08
    or (resid   69 and name   HN) (resid   68 and name HD11)
    or (resid   69 and name   HN) (resid   68 and name HD13)
assign (resid   69 and name   HN) (resid   69 and name   HA) 3.986 1.986 1.986 !HCNnoesy, no=445, id=2559, vol=6.700000e+07
assign (resid   69 and name   HN) (resid   69 and name  HB2) 3.033 1.150 1.150 !HCNnoesy, no=446, id=2560, vol=2.230000e+08
    or (resid   69 and name   HN) (resid   69 and name  HB1)
    or (resid   69 and name   HN) (resid   69 and name  HB3)
assign (resid   74 and name   HN) (resid   74 and name  HB2) 3.746 1.754 1.754 !HCNnoesy, no=447, id=2561, vol=2.970000e+08
    or (resid   74 and name   HN) (resid   74 and name  HB1)
assign (resid   23 and name   HN) (resid   24 and name  HD2) 4.137 2.139 2.139 !HCNnoesy, no=449, id=2563, vol=9.750000e+07
    or (resid   23 and name   HN) (resid   24 and name  HD1)
assign (resid   23 and name   HN) (resid   13 and name  HB2) 4.137 2.139 2.139 !HCNnoesy, no=450, id=2564, vol=3.940000e+07
    or (resid   23 and name   HN) (resid   13 and name  HB1)
assign (resid   42 and name   HN) (resid   43 and name   HA) 4.056 2.057 2.057 !HCNnoesy, no=451, id=2565, vol=2.440000e+08
assign (resid   27 and name   HN) (resid   24 and name   HA) 4.056 2.057 2.057 !HCNnoesy, no=452, id=2566, vol=1.150000e+08
assign (resid    4 and name   HN) (resid    3 and name  HB2) 4.181 2.185 2.185 !HCNnoesy, no=457, id=2571, vol=2.500000e+07
    or (resid    4 and name   HN) (resid    3 and name  HB1)
assign (resid   62 and name   HN) (resid   61 and name HG21) 4.474 2.502 2.502 !HCNnoesy, no=460, id=2574, vol=2.790000e+08
    or (resid   62 and name   HN) (resid   61 and name HG22)
    or (resid   62 and name   HN) (resid   61 and name HG23)
assign (resid   79 and name   HN) (resid   79 and name   HA) 3.096 1.198 1.198 !HCNnoesy, no=462, id=2576, vol=7.000000e+07
assign (resid   40 and name   HN) (resid   17 and name  HD2) 4.871 2.966 2.966 !HCNnoesy, no=466, id=2580, vol=2.430000e+08
    or (resid   40 and name   HN) (resid   17 and name  HD1)
assign (resid   31 and name   HN) (resid   41 and name  HB2) 4.095 2.096 2.096 !HCNnoesy, no=467, id=2581, vol=3.650000e+07
    or (resid   31 and name   HN) (resid   41 and name  HB1)
assign (resid   13 and name   HN) (resid   28 and name HD22) 4.020 2.020 2.020 !HCNnoesy, no=468, id=2582, vol=4.850000e+07
    or (resid   13 and name   HN) (resid   28 and name HD21)
    or (resid   13 and name   HN) (resid   28 and name HD23)
assign (resid   47 and name   HN) (resid   42 and name  HB2) 4.748 2.818 2.818 !HCNnoesy, no=471, id=2585, vol=2.150000e+08
    or (resid   47 and name   HN) (resid   42 and name  HB1)
assign (resid   47 and name   HN) (resid   45 and name   HA) 3.150 3.150 3.350 !HCNnoesy, no=472, id=2586, vol=1.840000e+08
assign (resid   27 and name   HN) (resid   24 and name  HD2) 4.056 2.057 2.057 !HCNnoesy, no=473, id=2587, vol=1.220000e+08
    or (resid   27 and name   HN) (resid   24 and name  HD1)
assign (resid   45 and name   HN) (resid   39 and name   HA) 4.137 2.139 2.139 !HCNnoesy, no=478, id=2592, vol=5.830000e+07
assign (resid   45 and name   HN) (resid   42 and name   HA) 4.020 2.020 2.020 !HCNnoesy, no=479, id=2593, vol=5.140000e+07
assign (resid   49 and name   HN) (resid   49 and name  HE1) 4.553 2.591 2.591 !HCNnoesy, no=482, id=2596, vol=3.680000e+07
    or (resid   49 and name   HN) (resid   49 and name  HE2)
assign (resid   49 and name   HN) (resid   43 and name   HA) 4.748 2.818 2.818 !HCNnoesy, no=483, id=2597, vol=1.710000e+09
assign (resid   29 and name   HN) (resid   26 and name   HA) 4.643 2.695 2.695 !HCNnoesy, no=486, id=2600, vol=1.870000e+08
assign (resid   23 and name   HN) (resid   27 and name  HB2) 4.230 2.236 2.236 !HCNnoesy, no=488, id=2602, vol=5.790000e+07
    or (resid   23 and name   HN) (resid   27 and name  HB1)
assign (resid   30 and name   HN) (resid   27 and name  HB2) 4.181 2.185 2.185 !HCNnoesy, no=494, id=2608, vol=4.380000e+07
    or (resid   30 and name   HN) (resid   27 and name  HB1)
assign (resid   30 and name   HN) (resid   45 and name  HB2) 4.553 2.591 2.591 !HCNnoesy, no=495, id=2609, vol=1.530000e+08
    or (resid   30 and name   HN) (resid   45 and name  HB1)
    or (resid   30 and name   HN) (resid   45 and name  HB3)
assign (resid   68 and name   HN) (resid   69 and name  HB2) 4.181 2.185 2.185 !HCNnoesy, no=496, id=2610, vol=6.640000e+07
    or (resid   68 and name   HN) (resid   69 and name  HB1)
    or (resid   68 and name   HN) (resid   69 and name  HB3)
assign (resid   48 and name   HN) (resid   46 and name  HA2) 4.137 2.139 2.139 !HCNnoesy, no=500, id=2613, vol=7.410000e+07
    or (resid   48 and name   HN) (resid   46 and name  HA1)
assign (resid   39 and name   HN) (resid   14 and name   HZ) 4.474 2.502 2.502 !HCNnoesy, no=501, id=2614, vol=1.190000e+08
assign (resid   46 and name   HN) (resid   47 and name   HA) 3.536 1.563 1.563 !HCNnoesy, no=509, id=2622, vol=2.930000e+08
assign (resid   46 and name   HN) (resid   28 and name HD12) 3.923 1.923 1.923 !HCNnoesy, no=511, id=2624, vol=2.050000e+08
    or (resid   46 and name   HN) (resid   28 and name HD11)
    or (resid   46 and name   HN) (resid   28 and name HD13)
assign (resid   21 and name   HN) (resid   19 and name   HA) 3.791 1.797 1.797 !HCNnoesy, no=513, id=2626, vol=6.550000e+07
assign (resid   40 and name   HN) (resid   34 and name  HB2) 4.095 2.096 2.096 !HCNnoesy, no=514, id=2627, vol=1.830000e+07
    or (resid   40 and name   HN) (resid   34 and name  HB1)
assign (resid   14 and name   HN) (resid    9 and name  HB2) 3.746 1.754 1.754 !HCNnoesy, no=516, id=2629, vol=1.870000e+08
    or (resid   14 and name   HN) (resid    9 and name  HB1)
assign (resid   14 and name   HN) (resid   14 and name  HB2) 2.899 1.051 1.051 !HCNnoesy, no=517, id=2630, vol=2.950000e+08
    or (resid   14 and name   HN) (resid   14 and name  HB1)
assign (resid   14 and name   HN) (resid   22 and name   HA) 4.643 2.695 2.695 !HCNnoesy, no=518, id=2631, vol=1.380000e+08
assign (resid   14 and name   HN) (resid   25 and name   HA) 4.230 2.236 2.236 !HCNnoesy, no=519, id=2632, vol=1.740000e+07
assign (resid   40 and name   HN) (resid   35 and name  HB2) 2.564 0.822 0.822 !HCNnoesy, no=522, id=2635, vol=3.670000e+08
    or (resid   40 and name   HN) (resid   35 and name  HB1)
assign (resid   40 and name   HN) (resid   41 and name  HG2) 3.310 1.369 1.369 !HCNnoesy, no=523, id=2636, vol=1.460000e+08
    or (resid   40 and name   HN) (resid   41 and name  HG1)
assign (resid   40 and name   HN) (resid   40 and name  HB2) 2.685 0.901 0.901 !HCNnoesy, no=524, id=2637, vol=4.160000e+08
    or (resid   40 and name   HN) (resid   40 and name  HB1)
assign (resid   40 and name   HN) (resid   40 and name   HA) 2.679 0.897 0.897 !HCNnoesy, no=525, id=2638, vol=5.140000e+08
assign (resid   40 and name   HN) (resid   39 and name   HA) 3.163 1.251 1.251 !HCNnoesy, no=526, id=2639, vol=2.050000e+08
assign (resid   40 and name   HN) (resid   14 and name  HE1) 3.648 1.664 1.664 !HCNnoesy, no=527, id=2640, vol=9.560000e+07
    or (resid   40 and name   HN) (resid   14 and name  HE2)
assign (resid   40 and name   HN) (resid   42 and name  HB2) 3.815 1.819 1.819 !HCNnoesy, no=529, id=2642, vol=1.000000e+08
    or (resid   40 and name   HN) (resid   42 and name  HB1)
assign (resid   40 and name   HN) (resid   39 and name  HB2) 2.364 0.699 0.699 !HCNnoesy, no=531, id=2644, vol=6.340000e+08
    or (resid   40 and name   HN) (resid   39 and name  HB1)
    or (resid   40 and name   HN) (resid   39 and name  HB3)
assign (resid   40 and name   HN) (resid   38 and name  HA2) 3.198 1.278 1.278 !HCNnoesy, no=533, id=2646, vol=1.140000e+08
    or (resid   40 and name   HN) (resid   38 and name  HA1)
assign (resid   44 and name   HN) (resid   44 and name  HB2) 2.532 0.802 0.802 !HCNnoesy, no=534, id=2647, vol=2.480000e+08
    or (resid   44 and name   HN) (resid   44 and name  HB1)
    or (resid   44 and name   HN) (resid   44 and name  HB3)
assign (resid   44 and name   HN) (resid   39 and name   HA) 4.230 2.236 2.236 !HCNnoesy, no=538, id=2651, vol=1.560000e+07
assign (resid   44 and name   HN) (resid   42 and name  HB2) 3.614 1.632 1.632 !HCNnoesy, no=539, id=2652, vol=4.710000e+07
    or (resid   44 and name   HN) (resid   42 and name  HB1)
assign (resid   44 and name   HN) (resid   43 and name HG12) 3.840 1.843 1.843 !HCNnoesy, no=542, id=2655, vol=1.244830e+02
    or (resid   44 and name   HN) (resid   43 and name HG11)
assign (resid   44 and name   HN) (resid   44 and name   HA) 2.763 0.955 0.955 !HCNnoesy, no=543, id=2656, vol=1.244830e+02
assign (resid   40 and name   HN) (resid   33 and name  HD2) 4.282 2.292 2.292 !HCNnoesy, no=545, id=2658, vol=1.106650e+02
    or (resid   40 and name   HN) (resid   33 and name  HD1)
assign (resid   31 and name   HN) (resid   41 and name  HG2) 4.095 2.096 2.096 !HCNnoesy, no=546, id=2659, vol=1.114450e+02
    or (resid   31 and name   HN) (resid   41 and name  HG1)
assign (resid   28 and name   HN) (resid   30 and name  HB2) 3.597 1.617 1.617 !HCNnoesy, no=547, id=2660, vol=1.260390e+02
    or (resid   28 and name   HN) (resid   30 and name  HB1)
assign (resid   37 and name   HN) (resid   16 and name  HB2) 4.020 2.020 2.020 !HCNnoesy, no=550, id=2663, vol=1.132780e+02
    or (resid   37 and name   HN) (resid   16 and name  HB1)
assign (resid   37 and name   HN) (resid   33 and name  HE2) 4.181 2.185 2.185 !HCNnoesy, no=551, id=2664, vol=1.132430e+02
    or (resid   37 and name   HN) (resid   33 and name  HE1)
assign (resid   37 and name   HN) (resid   33 and name  HG2) 4.095 2.096 2.096 !HCNnoesy, no=552, id=2665, vol=1.131970e+02
    or (resid   37 and name   HN) (resid   33 and name  HG1)
assign (resid   13 and name   HN) (resid    9 and name   HA) 4.181 2.185 2.185 !HCNnoesy, no=553, id=2666, vol=1.148810e+02
assign (resid   42 and name   HN) (resid   14 and name  HD1) 4.020 4.020 2.480 !HCNnoesy, no=559, id=2670, vol=1.157380e+02
    or (resid   42 and name   HN) (resid   14 and name  HD2)
assign (resid   35 and name   HN) (resid   27 and name  HB2) 4.181 2.185 2.185 !HCNnoesy, no=562, id=2673, vol=1.175640e+02
    or (resid   35 and name   HN) (resid   27 and name  HB1)
assign (resid   27 and name   HN) (resid   25 and name  HG2) 4.340 2.354 2.354 !HCNnoesy, no=564, id=2675, vol=1.176260e+02
    or (resid   27 and name   HN) (resid   25 and name  HG1)

assign (resid   14 and name  HE1) (resid   17 and name  HD1) 3.252 1.322 1.322 !13Cnoesy, no=8, id=3, vol=1.308630e+02
    or (resid   14 and name  HE2) (resid   17 and name  HD1)
    or (resid   14 and name  HE1) (resid   45 and name   HA)
    or (resid   14 and name  HE2) (resid   45 and name   HA)
assign (resid   14 and name  HD1) (resid   14 and name  HB2) 2.772 0.961 0.961 !13Cnoesy, no=17, id=9, vol=1.323050e+02
    or (resid   14 and name  HD2) (resid   14 and name  HB2)
    or (resid   14 and name  HD1) (resid   14 and name  HB1)
    or (resid   14 and name  HD2) (resid   14 and name  HB1)
assign (resid   49 and name  HD1) (resid   48 and name   HA) 3.345 1.399 1.399 !13Cnoesy, no=20, id=12, vol=1.331910e+02
    or (resid   49 and name  HD2) (resid   48 and name   HA)
    or (resid   49 and name  HD1) (resid   62 and name   HA)
    or (resid   49 and name  HD2) (resid   62 and name   HA)
assign (resid   49 and name  HD1) (resid   49 and name   HA) 2.624 0.861 0.861 !13Cnoesy, no=24, id=15, vol=1.332150e+02
    or (resid   49 and name  HD2) (resid   49 and name   HA)
    or (resid   49 and name  HD1) (resid   58 and name   HA)
    or (resid   49 and name  HD2) (resid   58 and name   HA)
assign (resid   49 and name  HD1) (resid   43 and name HD12) 2.906 1.056 1.056 !13Cnoesy, no=26, id=17, vol=1.331900e+02
    or (resid   49 and name  HD1) (resid   43 and name HD11)
    or (resid   49 and name  HD1) (resid   43 and name HD13)
    or (resid   49 and name  HD2) (resid   43 and name HD12)
    or (resid   49 and name  HD2) (resid   43 and name HD11)
    or (resid   49 and name  HD2) (resid   43 and name HD13)
    or (resid   49 and name  HD1) (resid   48 and name HD22)
    or (resid   49 and name  HD1) (resid   48 and name HD21)
    or (resid   49 and name  HD1) (resid   48 and name HD23)
    or (resid   49 and name  HD2) (resid   48 and name HD22)
    or (resid   49 and name  HD2) (resid   48 and name HD21)
    or (resid   49 and name  HD2) (resid   48 and name HD23)
assign (resid   71 and name  HD2) (resid   68 and name HD22) 2.934 1.076 1.076 !13Cnoesy, no=31, id=21, vol=1.190400e+02
    or (resid   71 and name  HD2) (resid   68 and name HD21)
    or (resid   71 and name  HD2) (resid   68 and name HD23)
    or (resid   71 and name  HD2) (resid   68 and name HD12)
    or (resid   71 and name  HD2) (resid   68 and name HD11)
    or (resid   71 and name  HD2) (resid   68 and name HD13)
assign (resid   49 and name  HE1) (resid   41 and name   HA) 3.322 1.379 1.379 !13Cnoesy, no=36, id=24, vol=1.180150e+02
    or (resid   49 and name  HE2) (resid   41 and name   HA)
    or (resid   49 and name  HE1) (resid   50 and name   HA)
    or (resid   49 and name  HE2) (resid   50 and name   HA)
assign (resid   49 and name  HE1) (resid   29 and name   HA) 2.750 2.750 3.350 !13Cnoesy, no=37, id=25, vol=1.179720e+02
    or (resid   49 and name  HE2) (resid   29 and name   HA)
    or (resid   48 and name  HE1) (resid   49 and name   HA)
    or (resid   49 and name  HE2) (resid   49 and name   HA)
assign (resid   49 and name  HE1) (resid   51 and name  HB1) 3.446 1.484 1.484 !13Cnoesy, no=39, id=27, vol=1.180820e+02
    or (resid   49 and name  HE2) (resid   51 and name  HB1)
    or (resid   49 and name  HE1) (resid   58 and name  HB1)
    or (resid   49 and name  HE2) (resid   58 and name  HB1)
assign (resid   49 and name  HE1) (resid   47 and name  HB1) 2.740 0.938 0.938 !13Cnoesy, no=40, id=28, vol=1.179450e+02
    or (resid   49 and name  HE2) (resid   47 and name  HB1)
    or (resid   49 and name  HE1) (resid   49 and name  HB1)
    or (resid   49 and name  HE2) (resid   49 and name  HB1)
assign (resid   49 and name  HE1) (resid   41 and name  HG1) 3.339 1.394 1.394 !13Cnoesy, no=41, id=29, vol=1.180700e+02
    or (resid   49 and name  HE2) (resid   41 and name  HG1)
    or (resid   49 and name  HE1) (resid   47 and name  HB2)
    or (resid   49 and name  HE2) (resid   47 and name  HB2)
assign (resid   49 and name  HE1) (resid   28 and name  HB1) 3.294 3.294 2.706 !13Cnoesy, no=42, id=30, vol=1.179480e+02
    or (resid   49 and name  HE2) (resid   28 and name  HB1)
    or (resid   49 and name  HE1) (resid   41 and name  HG2)
    or (resid   49 and name  HE2) (resid   41 and name  HG2)
    or (resid   49 and name  HE1) (resid   43 and name   HB)
    or (resid   49 and name  HE2) (resid   43 and name   HB)
    or (resid   49 and name  HE1) (resid   65 and name  HB2)
    or (resid   49 and name  HE1) (resid   65 and name  HB1)
    or (resid   49 and name  HE2) (resid   65 and name  HB2)
    or (resid   49 and name  HE2) (resid   65 and name  HB1)
assign (resid   22 and name   HA) (resid   15 and name  HB2) 2.920 1.066 1.066 !13Cnoesy, no=48, id=35, vol=5.365700e+01
    or (resid   22 and name   HA) (resid   15 and name  HB1)
assign (resid   35 and name   HA) (resid   21 and name HG22) 3.223 1.299 1.299 !13Cnoesy, no=55, id=41, vol=5.221300e+01
    or (resid   35 and name   HA) (resid   21 and name HG21)
    or (resid   35 and name   HA) (resid   21 and name HG23)
    or (resid   35 and name   HA) (resid   23 and name HG12)
    or (resid   35 and name   HA) (resid   23 and name HG11)
    or (resid   35 and name   HA) (resid   23 and name HG13)
assign (resid   13 and name   HA) (resid   25 and name  HB1) 3.084 1.189 1.189 !13Cnoesy, no=61, id=45, vol=5.760000e+01
    or (resid   13 and name   HA) (resid   24 and name  HB1)
assign (resid   14 and name  HD1) (resid   16 and name   HA) 3.112 1.211 1.211 !13Cnoesy, no=63, id=47, vol=5.266900e+01
    or (resid   14 and name  HD2) (resid   16 and name   HA)
    or (resid   50 and name   HA) (resid   49 and name  HD1)
    or (resid   50 and name   HA) (resid   49 and name  HD2)
assign (resid   30 and name   HA) (resid   74 and name  HE1) 2.250 2.250 3.750 !13Cnoesy, no=65, id=48, vol=5.275100e+01
    or (resid   16 and name   HA) (resid   40 and name  HB1)
assign (resid   16 and name   HA) (resid   36 and name  HB2) 3.328 1.384 1.384 !13Cnoesy, no=66, id=49, vol=5.265700e+01
    or (resid   16 and name   HA) (resid   36 and name  HB1)
    or (resid   16 and name   HA) (resid   36 and name  HB3)
    or (resid   16 and name   HA) (resid   44 and name  HB2)
    or (resid   16 and name   HA) (resid   44 and name  HB1)
    or (resid   16 and name   HA) (resid   44 and name  HB3)
    or (resid   30 and name   HA) (resid   26 and name  HG2)
    or (resid   30 and name   HA) (resid   26 and name  HG1)
    or (resid   30 and name   HA) (resid   28 and name  HB2)
    or (resid   50 and name   HA) (resid   43 and name HG11)
    or (resid   50 and name   HA) (resid   44 and name  HB2)
    or (resid   50 and name   HA) (resid   44 and name  HB1)
    or (resid   50 and name   HA) (resid   44 and name  HB3)
assign (resid   16 and name   HA) (resid   17 and name  HG2) 2.740 0.938 0.938 !13Cnoesy, no=67, id=50, vol=5.266000e+01
    or (resid   16 and name   HA) (resid   39 and name  HB2)
    or (resid   16 and name   HA) (resid   39 and name  HB1)
    or (resid   16 and name   HA) (resid   39 and name  HB3)
    or (resid   50 and name   HA) (resid   43 and name   HB)
assign (resid   34 and name   HA) (resid   23 and name HG22) 2.847 2.847 3.153 !13Cnoesy, no=81, id=62, vol=5.677900e+01
    or (resid   34 and name   HA) (resid   23 and name HG21)
    or (resid   34 and name   HA) (resid   23 and name HG23)
    or (resid   34 and name   HA) (resid   23 and name HG12)
    or (resid   34 and name   HA) (resid   23 and name HG11)
    or (resid   34 and name   HA) (resid   23 and name HG13)
assign (resid   49 and name   HA) (resid   43 and name HG11) 3.162 1.250 1.250 !13Cnoesy, no=88, id=69, vol=5.746300e+01
    or (resid   49 and name   HA) (resid   48 and name  HB2)
    or (resid   49 and name   HA) (resid   48 and name  HB1)
assign (resid   54 and name   HA) (resid   54 and name  HB2) 1.571 0.309 0.309 !13Cnoesy, no=94, id=75, vol=5.853600e+01
    or (resid   54 and name   HA) (resid   54 and name  HB1)
    or (resid   56 and name   HA) (resid   56 and name  HB2)
    or (resid   56 and name   HA) (resid   56 and name  HB1)
assign (resid   71 and name   HA) (resid   72 and name  HB2) 2.634 0.867 1.267 !13Cnoesy, no=99, id=80, vol=5.834700e+01
    or (resid    2 and name   HA) (resid    3 and name  HD2)
    or (resid    2 and name   HA) (resid    3 and name  HD1)
    or (resid    2 and name   HA) (resid    4 and name  HB2)
    or (resid    2 and name   HA) (resid    4 and name  HB1)
assign (resid   71 and name   HA) (resid   75 and name HD22) 2.460 0.756 0.756 !13Cnoesy, no=101, id=82, vol=5.842900e+01
    or (resid   71 and name   HA) (resid   75 and name HD21)
    or (resid   71 and name   HA) (resid   75 and name HD23)
    or (resid   71 and name   HA) (resid   75 and name HD12)
    or (resid   71 and name   HA) (resid   75 and name HD11)
    or (resid   71 and name   HA) (resid   75 and name HD13)
assign (resid    7 and name   HA) (resid    7 and name  HB2) 2.329 0.678 0.678 !13Cnoesy, no=109, id=88, vol=5.610600e+01
    or (resid    7 and name   HA) (resid    7 and name  HD2)
    or (resid    7 and name   HA) (resid    7 and name  HD1)
assign (resid    8 and name   HA) (resid    4 and name HD22) 3.247 1.318 2.698 !13Cnoesy, no=117, id=94, vol=6.199800e+01
    or (resid    8 and name   HA) (resid    4 and name HD21)
    or (resid    8 and name   HA) (resid    4 and name HD23)
    or (resid    8 and name   HA) (resid    4 and name HD12)
    or (resid    8 and name   HA) (resid    4 and name HD11)
    or (resid    8 and name   HA) (resid    4 and name HD13)
    or (resid    8 and name   HA) (resid   72 and name HD22)
    or (resid    8 and name   HA) (resid   72 and name HD21)
    or (resid    8 and name   HA) (resid   72 and name HD23)
    or (resid    8 and name   HA) (resid   79 and name HD12)
    or (resid    8 and name   HA) (resid   79 and name HD11)
    or (resid    8 and name   HA) (resid   79 and name HD13)
    or (resid    8 and name   HA) (resid   80 and name HD22)
    or (resid    8 and name   HA) (resid   80 and name HD21)
    or (resid    8 and name   HA) (resid   80 and name HD23)
    or (resid    8 and name   HA) (resid   80 and name HD12)
    or (resid    8 and name   HA) (resid   80 and name HD11)
    or (resid    8 and name   HA) (resid   80 and name HD13)
assign (resid   42 and name  HB1) (resid   39 and name  HB2) 3.044 1.159 1.159 !13Cnoesy, no=121, id=97, vol=6.755600e+01
    or (resid   42 and name  HB1) (resid   39 and name  HB1)
    or (resid   42 and name  HB1) (resid   39 and name  HB3)
    or (resid   42 and name  HB1) (resid   43 and name   HB)
assign (resid    3 and name   HA) (resid    3 and name  HG2) 2.372 0.703 0.903 !13Cnoesy, no=125, id=100, vol=5.654700e+01
    or (resid    3 and name   HA) (resid    3 and name  HG1)
assign (resid    4 and name   HA) (resid    4 and name  HB2) 2.009 0.505 0.505 !13Cnoesy, no=127, id=101, vol=5.512300e+01
    or (resid    4 and name   HA) (resid    4 and name  HB1)
    or (resid    4 and name   HA) (resid    4 and name   HG)
assign (resid   61 and name   HB) (resid   64 and name  HB2) 3.044 3.044 2.956 !13Cnoesy, no=134, id=107, vol=6.933600e+01
    or (resid   61 and name   HB) (resid   64 and name   HG)
assign (resid   52 and name   HB) (resid   51 and name  HB1) 3.166 1.253 1.253 !13Cnoesy, no=135, id=108, vol=6.947300e+01
    or (resid   61 and name   HB) (resid   58 and name  HB2)
    or (resid   61 and name   HB) (resid   60 and name  HB2)
assign (resid   61 and name   HB) (resid   62 and name  HG2) 3.267 3.267 2.733 !13Cnoesy, no=136, id=109, vol=6.935000e+01
    or (resid   61 and name   HB) (resid   62 and name  HG1)
    or (resid   61 and name   HB) (resid   63 and name  HG2)
assign (resid   61 and name   HB) (resid   48 and name HD22) 2.685 0.901 0.901 !13Cnoesy, no=139, id=112, vol=6.936100e+01
    or (resid   61 and name   HB) (resid   48 and name HD21)
    or (resid   61 and name   HB) (resid   48 and name HD23)
    or (resid   61 and name   HB) (resid   64 and name HD22)
    or (resid   61 and name   HB) (resid   64 and name HD21)
    or (resid   61 and name   HB) (resid   64 and name HD23)
    or (resid   61 and name   HB) (resid   64 and name HD12)
    or (resid   61 and name   HB) (resid   64 and name HD11)
    or (resid   61 and name   HB) (resid   64 and name HD13)
assign (resid   24 and name   HA) (resid    9 and name   HA) 3.613 1.632 1.632 !13Cnoesy, no=141, id=114, vol=6.258100e+01
    or (resid   24 and name   HA) (resid   23 and name   HA)
assign (resid   24 and name   HA) (resid   24 and name  HD1) 3.501 1.532 1.532 !13Cnoesy, no=144, id=116, vol=6.258100e+01
    or (resid   24 and name   HA) (resid   73 and name  HD2)
    or (resid   24 and name   HA) (resid   73 and name  HD1)
assign (resid   24 and name   HA) (resid   26 and name  HG2) 3.527 1.555 1.655 !13Cnoesy, no=146, id=118, vol=6.254600e+01
    or (resid   24 and name   HA) (resid   26 and name  HG1)
    or (resid   24 and name   HA) (resid   73 and name  HG2)
assign (resid   24 and name   HA) (resid   24 and name  HG1) 2.481 0.769 0.769 !13Cnoesy, no=147, id=119, vol=6.254400e+01
    or (resid   24 and name   HA) (resid   24 and name  HB2)
assign (resid   45 and name   HA) (resid   40 and name   HA) 3.278 1.343 1.343 !13Cnoesy, no=161, id=132, vol=5.158500e+01
    or (resid   45 and name   HA) (resid   46 and name  HA2)
assign (resid   61 and name   HA) (resid   63 and name  HB2) 3.518 1.547 1.547 !13Cnoesy, no=163, id=133, vol=6.318100e+01
    or (resid   61 and name   HA) (resid   63 and name  HB1)
    or (resid   61 and name   HA) (resid   62 and name  HB2)
    or (resid   61 and name   HA) (resid   62 and name  HB1)
assign (resid   61 and name   HA) (resid   64 and name  HB2) 2.403 0.722 0.722 !13Cnoesy, no=164, id=134, vol=6.314200e+01
    or (resid   61 and name   HA) (resid   64 and name   HG)
assign (resid   69 and name   HA) (resid   68 and name   HG) 2.605 2.605 3.395 !13Cnoesy, no=170, id=138, vol=5.383700e+01
    or (resid   69 and name   HA) (resid   72 and name  HB1)
    or (resid   69 and name   HA) (resid   73 and name  HG1)
assign (resid   17 and name   HA) (resid   17 and name  HG1) 2.222 0.617 0.617 !13Cnoesy, no=174, id=141, vol=6.397500e+01
    or (resid   17 and name   HA) (resid   17 and name  HB1)
assign (resid   70 and name   HA) (resid   72 and name HD22) 3.299 1.361 1.361 !13Cnoesy, no=177, id=144, vol=6.038000e+01
    or (resid   70 and name   HA) (resid   72 and name HD21)
    or (resid   70 and name   HA) (resid   72 and name HD23)
    or (resid   70 and name   HA) (resid   75 and name HD22)
    or (resid   70 and name   HA) (resid   75 and name HD21)
    or (resid   70 and name   HA) (resid   75 and name HD23)
    or (resid   70 and name   HA) (resid   75 and name HD12)
    or (resid   70 and name   HA) (resid   75 and name HD11)
    or (resid   70 and name   HA) (resid   75 and name HD13)
    or (resid   70 and name   HA) (resid   66 and name HG12)
    or (resid   70 and name   HA) (resid   66 and name HG11)
    or (resid   70 and name   HA) (resid   66 and name HG13)
assign (resid   70 and name   HA) (resid   70 and name  HB2) 1.900 0.451 0.451 !13Cnoesy, no=179, id=145, vol=6.040600e+01
    or (resid   70 and name   HA) (resid   70 and name  HB1)
assign (resid   67 and name   HA) (resid   67 and name  HD2) 2.512 0.789 0.789 !13Cnoesy, no=183, id=149, vol=5.775100e+01
    or (resid   67 and name   HA) (resid   67 and name  HD1)
    or (resid   62 and name   HA) (resid   65 and name  HD2)
    or (resid   62 and name   HA) (resid   65 and name  HD1)
assign (resid   62 and name   HA) (resid   48 and name HD22) 2.679 0.897 0.897 !13Cnoesy, no=185, id=151, vol=5.771900e+01
    or (resid   62 and name   HA) (resid   48 and name HD21)
    or (resid   62 and name   HA) (resid   48 and name HD23)
    or (resid   67 and name   HA) (resid   66 and name HG12)
    or (resid   67 and name   HA) (resid   66 and name HG11)
    or (resid   67 and name   HA) (resid   66 and name HG13)
assign (resid   17 and name  HD1) (resid   17 and name  HG2) 2.621 0.859 0.859 !13Cnoesy, no=191, id=156, vol=5.134500e+01
    or (resid   17 and name  HD1) (resid   39 and name  HB2)
    or (resid   17 and name  HD1) (resid   39 and name  HB1)
    or (resid   17 and name  HD1) (resid   39 and name  HB3)
assign (resid   64 and name   HA) (resid   64 and name  HB2) 1.972 0.486 0.486 !13Cnoesy, no=203, id=166, vol=5.663300e+01
    or (resid   80 and name   HA) (resid   80 and name  HB2)
    or (resid   80 and name   HA) (resid   80 and name  HB1)
assign (resid   80 and name   HA) (resid   80 and name HD12) 1.986 0.493 0.493 !13Cnoesy, no=204, id=167, vol=5.664800e+01
    or (resid   80 and name   HA) (resid   80 and name HD11)
    or (resid   80 and name   HA) (resid   80 and name HD13)
    or (resid   64 and name   HA) (resid   64 and name HD12)
    or (resid   64 and name   HA) (resid   64 and name HD11)
    or (resid   64 and name   HA) (resid   64 and name HD13)
assign (resid   63 and name   HA) (resid   67 and name  HB2) 1.959 1.959 4.041 !13Cnoesy, no=207, id=170, vol=5.773300e+01
    or (resid   63 and name   HA) (resid   67 and name  HB1)
    or (resid   74 and name   HA) (resid   26 and name  HB2)
    or (resid   74 and name   HA) (resid   73 and name  HB2)
    or (resid   74 and name   HA) (resid   73 and name  HB1)
assign (resid   63 and name   HA) (resid   63 and name  HG2) 2.129 0.566 0.566 !13Cnoesy, no=209, id=171, vol=5.800500e+01
    or (resid   63 and name   HA) (resid   63 and name  HG1)
assign (resid   38 and name  HA1) (resid   33 and name  HG1) 2.676 0.895 0.895 !13Cnoesy, no=225, id=185, vol=4.608700e+01
    or (resid   38 and name  HA1) (resid   33 and name  HD2)
    or (resid   38 and name  HA1) (resid   33 and name  HD1)
assign (resid   53 and name  HA2) (resid   54 and name   HA) 2.789 0.972 0.972 !13Cnoesy, no=227, id=187, vol=4.530500e+01
    or (resid   53 and name  HA1) (resid   54 and name   HA)
    or (resid   55 and name  HA2) (resid   54 and name   HA)
    or (resid   55 and name  HA1) (resid   54 and name   HA)
    or (resid   55 and name  HA2) (resid   56 and name   HA)
    or (resid   55 and name  HA1) (resid   56 and name   HA)
    or (resid   57 and name  HA2) (resid   56 and name   HA)
    or (resid   57 and name  HA1) (resid   56 and name   HA)
assign (resid   57 and name  HA2) (resid   62 and name  HG2) 2.957 1.093 1.093 !13Cnoesy, no=228, id=188, vol=4.530300e+01
    or (resid   57 and name  HA2) (resid   62 and name  HG1)
    or (resid   57 and name  HA1) (resid   62 and name  HG2)
    or (resid   57 and name  HA1) (resid   62 and name  HG1)
    or (resid   59 and name  HA2) (resid   62 and name  HG2)
    or (resid   59 and name  HA2) (resid   62 and name  HG1)
    or (resid   59 and name  HA1) (resid   62 and name  HG2)
    or (resid   59 and name  HA1) (resid   62 and name  HG1)
    or (resid   59 and name  HA2) (resid   63 and name  HG2)
    or (resid   59 and name  HA1) (resid   63 and name  HG2)
    or (resid   59 and name  HA2) (resid   63 and name  HG1)
    or (resid   59 and name  HA1) (resid   63 and name  HG1)
assign (resid   57 and name  HA2) (resid   62 and name  HB2) 2.726 0.929 0.929 !13Cnoesy, no=229, id=189, vol=4.530700e+01
    or (resid   57 and name  HA2) (resid   62 and name  HB1)
    or (resid   57 and name  HA1) (resid   62 and name  HB2)
    or (resid   57 and name  HA1) (resid   62 and name  HB1)
    or (resid   59 and name  HA2) (resid   62 and name  HB2)
    or (resid   59 and name  HA2) (resid   62 and name  HB1)
    or (resid   59 and name  HA1) (resid   62 and name  HB2)
    or (resid   59 and name  HA1) (resid   62 and name  HB1)
assign (resid   55 and name  HA2) (resid   48 and name HD22) 2.518 2.518 3.482 !13Cnoesy, no=230, id=190, vol=4.531300e+01
    or (resid   55 and name  HA2) (resid   48 and name HD21)
    or (resid   55 and name  HA2) (resid   48 and name HD23)
    or (resid   55 and name  HA1) (resid   48 and name HD22)
    or (resid   55 and name  HA1) (resid   48 and name HD21)
    or (resid   55 and name  HA1) (resid   48 and name HD23)
    or (resid   57 and name  HA2) (resid   43 and name HD12)
    or (resid   57 and name  HA2) (resid   43 and name HD11)
    or (resid   57 and name  HA2) (resid   43 and name HD13)
    or (resid   57 and name  HA1) (resid   43 and name HD12)
    or (resid   57 and name  HA1) (resid   43 and name HD11)
    or (resid   57 and name  HA1) (resid   43 and name HD13)
    or (resid   57 and name  HA2) (resid   48 and name HD22)
    or (resid   57 and name  HA2) (resid   48 and name HD21)
    or (resid   57 and name  HA2) (resid   48 and name HD23)
    or (resid   57 and name  HA1) (resid   48 and name HD22)
    or (resid   57 and name  HA1) (resid   48 and name HD21)
    or (resid   57 and name  HA1) (resid   48 and name HD23)
    or (resid   59 and name  HA2) (resid   48 and name HD22)
    or (resid   59 and name  HA2) (resid   48 and name HD21)
    or (resid   59 and name  HA2) (resid   48 and name HD23)
    or (resid   59 and name  HA1) (resid   48 and name HD22)
    or (resid   59 and name  HA1) (resid   48 and name HD21)
    or (resid   59 and name  HA1) (resid   48 and name HD23)
    or (resid   59 and name  HA2) (resid   64 and name HD22)
    or (resid   59 and name  HA2) (resid   64 and name HD21)
    or (resid   59 and name  HA2) (resid   64 and name HD23)
    or (resid   59 and name  HA1) (resid   64 and name HD22)
    or (resid   59 and name  HA1) (resid   64 and name HD21)
    or (resid   59 and name  HA1) (resid   64 and name HD23)
    or (resid   59 and name  HA2) (resid   64 and name HD12)
    or (resid   59 and name  HA2) (resid   64 and name HD11)
    or (resid   59 and name  HA2) (resid   64 and name HD13)
    or (resid   59 and name  HA1) (resid   64 and name HD12)
    or (resid   59 and name  HA1) (resid   64 and name HD11)
    or (resid   59 and name  HA1) (resid   64 and name HD13)
assign (resid   53 and name  HA2) (resid   52 and name HG21) 3.162 1.250 1.250 !13Cnoesy, no=231, id=191, vol=4.532800e+01
    or (resid   53 and name  HA2) (resid   52 and name HG22)
    or (resid   53 and name  HA2) (resid   52 and name HG23)
    or (resid   53 and name  HA1) (resid   52 and name HG21)
    or (resid   53 and name  HA1) (resid   52 and name HG22)
    or (resid   53 and name  HA1) (resid   52 and name HG23)
    or (resid   57 and name  HA2) (resid   52 and name HG21)
    or (resid   57 and name  HA2) (resid   52 and name HG22)
    or (resid   57 and name  HA2) (resid   52 and name HG23)
    or (resid   57 and name  HA1) (resid   52 and name HG21)
    or (resid   57 and name  HA1) (resid   52 and name HG22)
    or (resid   57 and name  HA1) (resid   52 and name HG23)
    or (resid   59 and name  HA2) (resid   61 and name HG21)
    or (resid   59 and name  HA2) (resid   61 and name HG22)
    or (resid   59 and name  HA2) (resid   61 and name HG23)
    or (resid   59 and name  HA1) (resid   61 and name HG21)
    or (resid   59 and name  HA1) (resid   61 and name HG22)
    or (resid   59 and name  HA1) (resid   61 and name HG23)
assign (resid   59 and name  HA2) (resid   64 and name  HB2) 2.952 2.952 3.048 !13Cnoesy, no=233, id=192, vol=4.526500e+01
    or (resid   59 and name  HA1) (resid   64 and name  HB2)
    or (resid   59 and name  HA2) (resid   64 and name   HG)
    or (resid   59 and name  HA1) (resid   64 and name   HG)
    or (resid   59 and name  HA2) (resid   67 and name  HG2)
    or (resid   59 and name  HA2) (resid   67 and name  HG1)
    or (resid   59 and name  HA1) (resid   67 and name  HG2)
    or (resid   59 and name  HA1) (resid   67 and name  HG1)
    or (resid   53 and name  HA2) (resid   33 and name  HG1)
    or (resid   53 and name  HA1) (resid   33 and name  HG1)
    or (resid   53 and name  HA2) (resid   33 and name  HD2)
    or (resid   53 and name  HA2) (resid   33 and name  HD1)
    or (resid   53 and name  HA1) (resid   33 and name  HD2)
    or (resid   53 and name  HA1) (resid   33 and name  HD1)
    or (resid   53 and name  HA2) (resid   41 and name  HB2)
    or (resid   53 and name  HA1) (resid   41 and name  HB2)
    or (resid   55 and name  HA2) (resid   33 and name  HG1)
    or (resid   55 and name  HA1) (resid   33 and name  HG1)
    or (resid   55 and name  HA2) (resid   33 and name  HD2)
    or (resid   55 and name  HA2) (resid   33 and name  HD1)
    or (resid   55 and name  HA1) (resid   33 and name  HD2)
    or (resid   55 and name  HA1) (resid   33 and name  HD1)
    or (resid   55 and name  HA2) (resid   41 and name  HB2)
    or (resid   55 and name  HA1) (resid   41 and name  HB2)
    or (resid   57 and name  HA2) (resid   41 and name  HB2)
    or (resid   57 and name  HA1) (resid   41 and name  HB2)
assign (resid   58 and name  HB1) (resid   61 and name HG21) 3.703 1.714 1.714 !13Cnoesy, no=234, id=193, vol=6.384700e+01
    or (resid   58 and name  HB1) (resid   61 and name HG22)
    or (resid   58 and name  HB1) (resid   61 and name HG23)
    or (resid   60 and name  HB1) (resid   61 and name HG21)
    or (resid   60 and name  HB1) (resid   61 and name HG22)
    or (resid   60 and name  HB1) (resid   61 and name HG23)
assign (resid   58 and name  HB1) (resid   58 and name   HA) 1.939 0.470 0.470 !13Cnoesy, no=235, id=194, vol=6.398000e+01
    or (resid   60 and name  HB1) (resid   60 and name   HA)
assign (resid   58 and name  HB1) (resid   58 and name  HB2) 1.526 0.291 0.291 !13Cnoesy, no=237, id=195, vol=6.399600e+01
    or (resid   60 and name  HB1) (resid   60 and name  HB2)
assign (resid   58 and name  HB1) (resid   62 and name  HG2) 3.219 1.295 1.295 !13Cnoesy, no=238, id=196, vol=6.400800e+01
    or (resid   58 and name  HB1) (resid   62 and name  HG1)
    or (resid   60 and name  HB1) (resid   63 and name  HG2)
assign (resid   58 and name  HB1) (resid   62 and name  HB2) 2.937 1.078 1.078 !13Cnoesy, no=239, id=197, vol=6.398000e+01
    or (resid   58 and name  HB1) (resid   62 and name  HB1)
    or (resid   60 and name  HB1) (resid   63 and name  HB2)
    or (resid   60 and name  HB1) (resid   63 and name  HB1)
assign (resid   60 and name  HB1) (resid   64 and name  HB2) 3.299 1.361 1.361 !13Cnoesy, no=240, id=198, vol=6.399500e+01
    or (resid   60 and name  HB1) (resid   64 and name   HG)
assign (resid   60 and name  HB1) (resid   64 and name HD22) 3.223 1.299 1.299 !13Cnoesy, no=241, id=199, vol=6.399600e+01
    or (resid   60 and name  HB1) (resid   64 and name HD21)
    or (resid   60 and name  HB1) (resid   64 and name HD23)
    or (resid   60 and name  HB1) (resid   64 and name HD12)
    or (resid   60 and name  HB1) (resid   64 and name HD11)
    or (resid   60 and name  HB1) (resid   64 and name HD13)
assign (resid   70 and name  HB1) (resid   67 and name   HA) 1.872 0.438 0.538 !13Cnoesy, no=243, id=201, vol=6.301900e+01
    or (resid   70 and name   HA) (resid   70 and name  HB1)
assign (resid   70 and name  HB1) (resid   26 and name  HD2) 3.029 1.147 1.147 !13Cnoesy, no=245, id=202, vol=6.298700e+01
    or (resid   70 and name  HB1) (resid   26 and name  HD1)
    or (resid   70 and name  HB1) (resid   71 and name  HB2)
assign (resid   70 and name  HB1) (resid   67 and name  HB2) 2.830 1.001 1.201 !13Cnoesy, no=246, id=203, vol=6.301500e+01
    or (resid   70 and name  HB1) (resid   67 and name  HB1)
    or (resid   70 and name  HB1) (resid   26 and name  HB1)
assign (resid   70 and name  HB1) (resid   26 and name  HG2) 3.138 1.231 1.231 !13Cnoesy, no=248, id=205, vol=6.300500e+01
    or (resid   70 and name  HB1) (resid   26 and name  HG1)
    or (resid   70 and name  HB1) (resid   69 and name  HB2)
    or (resid   70 and name  HB1) (resid   69 and name  HB1)
    or (resid   70 and name  HB1) (resid   69 and name  HB3)
assign (resid   70 and name  HB2) (resid   26 and name  HG2) 3.196 1.277 1.277 !13Cnoesy, no=264, id=219, vol=6.301800e+01
    or (resid   70 and name  HB2) (resid   26 and name  HG1)
    or (resid   70 and name  HB2) (resid   74 and name  HG1)
assign (resid    2 and name  HB1) (resid    2 and name   HA) 1.688 0.356 0.356 !13Cnoesy, no=265, id=220, vol=6.385000e+01
    or (resid   54 and name   HA) (resid   54 and name  HB1)
    or (resid   56 and name   HA) (resid   56 and name  HB1)
    or (resid   58 and name  HB2) (resid   58 and name   HA)
assign (resid   58 and name  HB2) (resid   62 and name  HG2) 2.865 1.026 1.026 !13Cnoesy, no=267, id=222, vol=6.395100e+01
    or (resid   58 and name  HB2) (resid   62 and name  HG1)
    or (resid   60 and name  HB2) (resid   63 and name  HG2)
    or (resid   56 and name  HB1) (resid   62 and name  HG2)
    or (resid   56 and name  HB1) (resid   62 and name  HG1)
    or (resid   56 and name  HB1) (resid   63 and name  HG1)
assign (resid   51 and name   HA) (resid   51 and name  HB2) 1.663 0.346 0.346 !13Cnoesy, no=269, id=224, vol=6.380000e+01
    or (resid   54 and name   HA) (resid   54 and name  HB2)
    or (resid   56 and name   HA) (resid   56 and name  HB2)
assign (resid    2 and name  HB2) (resid    3 and name  HB2) 2.671 0.892 0.992 !13Cnoesy, no=271, id=226, vol=6.381800e+01
    or (resid    2 and name  HB2) (resid    4 and name  HB2)
    or (resid    2 and name  HB2) (resid    4 and name  HB1)
assign (resid    2 and name  HB2) (resid    4 and name HD22) 2.549 0.812 0.812 !13Cnoesy, no=273, id=228, vol=6.379200e+01
    or (resid    2 and name  HB2) (resid    4 and name HD21)
    or (resid    2 and name  HB2) (resid    4 and name HD23)
    or (resid    2 and name  HB2) (resid    4 and name HD12)
    or (resid    2 and name  HB2) (resid    4 and name HD11)
    or (resid    2 and name  HB2) (resid    4 and name HD13)
assign (resid   27 and name  HB1) (resid   34 and name  HB2) 3.485 1.518 1.518 !13Cnoesy, no=280, id=234, vol=2.795600e+01
    or (resid   27 and name  HB1) (resid   40 and name  HB2)
assign (resid   17 and name  HD2) (resid   16 and name  HB1) 3.196 1.277 1.277 !13Cnoesy, no=285, id=239, vol=5.120500e+01
    or (resid   17 and name  HD2) (resid   35 and name  HB1)
assign (resid   17 and name  HD2) (resid   17 and name  HG1) 2.697 0.909 0.909 !13Cnoesy, no=286, id=240, vol=5.135500e+01
    or (resid   17 and name  HD2) (resid   17 and name  HB1)
assign (resid   25 and name   HA) (resid   24 and name   HA) 3.454 1.491 1.491 !13Cnoesy, no=288, id=242, vol=5.946000e+01
    or (resid   25 and name   HA) (resid   26 and name   HA)
assign (resid   46 and name  HA2) (resid   43 and name HD12) 3.041 1.156 1.156 !13Cnoesy, no=311, id=261, vol=4.477600e+01
    or (resid   46 and name  HA2) (resid   43 and name HD11)
    or (resid   46 and name  HA2) (resid   43 and name HD13)
    or (resid   46 and name  HA2) (resid   48 and name HD12)
    or (resid   46 and name  HA2) (resid   48 and name HD11)
    or (resid   46 and name  HA2) (resid   48 and name HD13)
assign (resid   16 and name  HB1) (resid   23 and name HG22) 3.238 1.310 1.410 !13Cnoesy, no=315, id=263, vol=3.607700e+01
    or (resid   16 and name  HB1) (resid   23 and name HG21)
    or (resid   16 and name  HB1) (resid   23 and name HG23)
    or (resid   16 and name  HB1) (resid   19 and name HG21)
    or (resid   16 and name  HB1) (resid   19 and name HG22)
    or (resid   16 and name  HB1) (resid   19 and name HG23)
assign (resid   16 and name  HB1) (resid   17 and name  HG2) 2.962 2.962 3.038 !13Cnoesy, no=318, id=266, vol=3.607900e+01
    or (resid   16 and name  HB1) (resid   21 and name   HB)
assign (resid   13 and name  HB2) (resid    8 and name HG21) 3.377 1.425 1.425 !13Cnoesy, no=329, id=275, vol=6.583900e+01
    or (resid   13 and name  HB2) (resid    8 and name HG22)
    or (resid   13 and name  HB2) (resid    8 and name HG23)
    or (resid   13 and name  HB1) (resid    8 and name HG21)
    or (resid   13 and name  HB1) (resid    8 and name HG22)
    or (resid   13 and name  HB1) (resid    8 and name HG23)
    or (resid   13 and name  HB2) (resid   24 and name  HG1)
    or (resid   13 and name  HB1) (resid   24 and name  HG1)
    or (resid   13 and name  HB2) (resid   24 and name  HB2)
    or (resid   13 and name  HB1) (resid   24 and name  HB2)
assign (resid   13 and name  HB2) (resid    9 and name  HB1) 2.716 0.922 0.922 !13Cnoesy, no=332, id=277, vol=6.583200e+01
    or (resid   13 and name  HB1) (resid    9 and name  HB1)
    or (resid   13 and name  HB2) (resid   24 and name  HD1)
    or (resid   13 and name  HB1) (resid   24 and name  HD1)
assign (resid   13 and name  HB2) (resid   14 and name  HB2) 2.764 2.764 3.236 !13Cnoesy, no=333, id=278, vol=6.585500e+01
    or (resid   13 and name  HB1) (resid   14 and name  HB2)
    or (resid   13 and name  HB2) (resid   14 and name  HB1)
    or (resid   13 and name  HB1) (resid   14 and name  HB1)
    or (resid   13 and name  HB2) (resid   22 and name  HB1)
    or (resid   13 and name  HB1) (resid   22 and name  HB1)
assign (resid   13 and name  HB2) (resid    9 and name  HB2) 2.576 0.830 0.830 !13Cnoesy, no=334, id=279, vol=6.582900e+01
    or (resid   13 and name  HB1) (resid    9 and name  HB2)
    or (resid   13 and name  HB2) (resid   22 and name  HB2)
    or (resid   13 and name  HB1) (resid   22 and name  HB2)
assign (resid   13 and name  HB2) (resid   11 and name  HG2) 3.573 1.596 1.596 !13Cnoesy, no=335, id=280, vol=6.587200e+01
    or (resid   13 and name  HB2) (resid   11 and name  HG1)
    or (resid   13 and name  HB1) (resid   11 and name  HG2)
    or (resid   13 and name  HB1) (resid   11 and name  HG1)
    or (resid   13 and name  HB2) (resid   24 and name  HB1)
    or (resid   13 and name  HB1) (resid   24 and name  HB1)
assign (resid   71 and name  HD2) (resid   71 and name  HB2) 2.687 0.902 0.902 !13Cnoesy, no=349, id=290, vol=3.074400e+01
    or (resid   71 and name  HD2) (resid   71 and name  HB1)
assign (resid   68 and name   HA) (resid   71 and name  HB2) 2.569 2.569 3.431 !13Cnoesy, no=351, id=292, vol=3.076800e+01
    or (resid   71 and name  HB2) (resid   69 and name   HA)
    or (resid   70 and name   HA) (resid   71 and name  HB2)
    or (resid   68 and name   HA) (resid   71 and name  HB1)
    or (resid   71 and name  HB1) (resid   69 and name   HA)
assign (resid   71 and name  HB1) (resid   72 and name  HB1) 2.930 1.073 1.173 !13Cnoesy, no=353, id=293, vol=3.082800e+01
    or (resid   71 and name  HB1) (resid   75 and name  HB2)
    or (resid   71 and name  HB1) (resid   75 and name  HB1)
    or (resid   71 and name  HB1) (resid   75 and name   HG)
    or (resid   71 and name  HB2) (resid   68 and name   HG)
    or (resid   71 and name  HB2) (resid   72 and name  HB1)
    or (resid   71 and name  HB2) (resid   75 and name  HB2)
    or (resid   71 and name  HB2) (resid   75 and name  HB1)
assign (resid   71 and name  HB2) (resid   69 and name  HB2) 3.029 1.147 1.147 !13Cnoesy, no=354, id=294, vol=3.076100e+01
    or (resid   71 and name  HB2) (resid   69 and name  HB1)
    or (resid   71 and name  HB2) (resid   69 and name  HB3)
    or (resid   71 and name  HB2) (resid   72 and name  HB2)
    or (resid   71 and name  HB1) (resid   69 and name  HB2)
    or (resid   71 and name  HB1) (resid   69 and name  HB1)
    or (resid   71 and name  HB1) (resid   69 and name  HB3)
    or (resid   71 and name  HB1) (resid   72 and name  HB2)
assign (resid   71 and name  HB2) (resid   68 and name HD22) 2.426 0.736 0.736 !13Cnoesy, no=355, id=295, vol=3.070100e+01
    or (resid   71 and name  HB2) (resid   68 and name HD21)
    or (resid   71 and name  HB2) (resid   68 and name HD23)
    or (resid   71 and name  HB2) (resid   68 and name HD12)
    or (resid   71 and name  HB2) (resid   68 and name HD11)
    or (resid   71 and name  HB2) (resid   68 and name HD13)
    or (resid   71 and name  HB2) (resid   75 and name HD12)
    or (resid   71 and name  HB2) (resid   75 and name HD11)
    or (resid   71 and name  HB2) (resid   75 and name HD13)
    or (resid   71 and name  HB1) (resid   68 and name HD22)
    or (resid   71 and name  HB1) (resid   68 and name HD21)
    or (resid   71 and name  HB1) (resid   68 and name HD23)
    or (resid   71 and name  HB1) (resid   68 and name HD12)
    or (resid   71 and name  HB1) (resid   68 and name HD11)
    or (resid   71 and name  HB1) (resid   68 and name HD13)
    or (resid   71 and name  HB1) (resid   75 and name HD22)
    or (resid   71 and name  HB1) (resid   75 and name HD21)
    or (resid   71 and name  HB1) (resid   75 and name HD23)
    or (resid   71 and name  HB1) (resid   75 and name HD12)
    or (resid   71 and name  HB1) (resid   75 and name HD11)
    or (resid   71 and name  HB1) (resid   75 and name HD13)
assign (resid   26 and name  HD2) (resid   27 and name  HD1) 3.080 1.186 1.186 !13Cnoesy, no=356, id=296, vol=4.326600e+01
    or (resid   26 and name  HD1) (resid   27 and name  HD1)
    or (resid   65 and name  HD2) (resid   49 and name  HE1)
    or (resid   65 and name  HD2) (resid   49 and name  HE2)
    or (resid   65 and name  HD1) (resid   49 and name  HE1)
    or (resid   65 and name  HD1) (resid   49 and name  HE2)
assign (resid   26 and name  HD2) (resid   30 and name   HA) 2.949 2.949 3.051 !13Cnoesy, no=357, id=297, vol=4.333200e+01
    or (resid   26 and name  HD1) (resid   30 and name   HA)
    or (resid   65 and name  HD2) (resid   30 and name   HA)
    or (resid   65 and name  HD1) (resid   30 and name   HA)
    or (resid   65 and name  HD2) (resid   41 and name   HA)
    or (resid   65 and name  HD1) (resid   41 and name   HA)
    or (resid   67 and name  HD2) (resid   30 and name   HA)
    or (resid   67 and name  HD1) (resid   30 and name   HA)
    or (resid   73 and name  HD2) (resid    9 and name   HA)
    or (resid   73 and name  HD1) (resid    9 and name   HA)
assign (resid   26 and name  HD2) (resid   26 and name   HA) 1.916 0.459 0.459 !13Cnoesy, no=358, id=298, vol=4.332700e+01
    or (resid   26 and name  HD1) (resid   26 and name   HA)
    or (resid   70 and name   HA) (resid   26 and name  HD2)
    or (resid   70 and name   HA) (resid   26 and name  HD1)
    or (resid   76 and name   HA) (resid   76 and name  HD2)
    or (resid   76 and name   HA) (resid   76 and name  HD1)
assign (resid   26 and name  HD2) (resid   66 and name   HA) 2.646 0.875 0.875 !13Cnoesy, no=359, id=299, vol=4.331400e+01
    or (resid   26 and name  HD1) (resid   66 and name   HA)
    or (resid   70 and name  HB2) (resid   26 and name  HD2)
    or (resid   70 and name  HB2) (resid   26 and name  HD1)
    or (resid   65 and name  HD2) (resid   66 and name   HA)
    or (resid   65 and name  HD1) (resid   66 and name   HA)
assign (resid   65 and name  HD2) (resid   62 and name  HG2) 2.824 0.997 0.997 !13Cnoesy, no=360, id=300, vol=4.331900e+01
    or (resid   65 and name  HD2) (resid   62 and name  HG1)
    or (resid   65 and name  HD1) (resid   62 and name  HG2)
    or (resid   65 and name  HD1) (resid   62 and name  HG1)
    or (resid   67 and name  HD2) (resid   63 and name  HG2)
    or (resid   67 and name  HD1) (resid   63 and name  HG2)
    or (resid   67 and name  HD2) (resid   63 and name  HG1)
    or (resid   67 and name  HD1) (resid   63 and name  HG1)
assign (resid   65 and name  HD2) (resid   65 and name  HB2) 1.553 0.302 0.302 !13Cnoesy, no=361, id=301, vol=4.332100e+01
    or (resid   65 and name  HD2) (resid   65 and name  HB1)
    or (resid   65 and name  HD1) (resid   65 and name  HB2)
    or (resid   65 and name  HD1) (resid   65 and name  HB1)
    or (resid   67 and name  HD2) (resid   67 and name  HB2)
    or (resid   67 and name  HD2) (resid   67 and name  HB1)
    or (resid   67 and name  HD1) (resid   67 and name  HB2)
    or (resid   67 and name  HD1) (resid   67 and name  HB1)
    or (resid   73 and name  HD2) (resid   73 and name  HB2)
    or (resid   73 and name  HD2) (resid   73 and name  HB1)
    or (resid   73 and name  HD1) (resid   73 and name  HB2)
    or (resid   73 and name  HD1) (resid   73 and name  HB1)
    or (resid   26 and name  HD2) (resid   26 and name  HB1)
    or (resid   26 and name  HD1) (resid   26 and name  HB1)
assign (resid   76 and name  HD2) (resid   76 and name  HG2) 1.489 0.277 0.277 !13Cnoesy, no=362, id=302, vol=4.332900e+01
    or (resid   76 and name  HD1) (resid   76 and name  HG2)
    or (resid   78 and name  HD2) (resid   78 and name  HG2)
    or (resid   78 and name  HD2) (resid   78 and name  HG1)
    or (resid   78 and name  HD1) (resid   78 and name  HG2)
    or (resid   78 and name  HD1) (resid   78 and name  HG1)
    or (resid   67 and name  HD2) (resid   67 and name  HG2)
    or (resid   67 and name  HD2) (resid   67 and name  HG1)
    or (resid   67 and name  HD1) (resid   67 and name  HG2)
    or (resid   67 and name  HD1) (resid   67 and name  HG1)
assign (resid   26 and name  HD2) (resid   24 and name  HB2) 2.574 0.828 0.828 !13Cnoesy, no=363, id=303, vol=4.328800e+01
    or (resid   26 and name  HD1) (resid   24 and name  HB2)
    or (resid   65 and name  HD2) (resid   61 and name HG21)
    or (resid   65 and name  HD2) (resid   61 and name HG22)
    or (resid   65 and name  HD2) (resid   61 and name HG23)
    or (resid   65 and name  HD1) (resid   61 and name HG21)
    or (resid   65 and name  HD1) (resid   61 and name HG22)
    or (resid   65 and name  HD1) (resid   61 and name HG23)
    or (resid   73 and name  HD2) (resid   24 and name  HB2)
    or (resid   73 and name  HD1) (resid   24 and name  HB2)
assign (resid   24 and name  HD1) (resid   23 and name HG22) 2.643 0.873 0.873 !13Cnoesy, no=379, id=316, vol=5.013700e+01
    or (resid   24 and name  HD1) (resid   23 and name HG21)
    or (resid   24 and name  HD1) (resid   23 and name HG23)
    or (resid   24 and name  HD1) (resid   24 and name  HG1)
assign (resid   13 and name  HB2) (resid   14 and name  HB1) 3.262 1.330 1.330 !13Cnoesy, no=411, id=341, vol=4.311400e+01
    or (resid   13 and name  HB1) (resid   14 and name  HB1)
    or (resid   13 and name  HB2) (resid   22 and name  HB1)
    or (resid   13 and name  HB1) (resid   22 and name  HB1)
assign (resid   49 and name  HB2) (resid   43 and name HD12) 3.073 3.073 2.927 !13Cnoesy, no=422, id=351, vol=3.880000e+01
    or (resid   49 and name  HB2) (resid   43 and name HD11)
    or (resid   49 and name  HB2) (resid   43 and name HD13)
    or (resid   49 and name  HB2) (resid   48 and name HD22)
    or (resid   49 and name  HB2) (resid   48 and name HD21)
    or (resid   49 and name  HB2) (resid   48 and name HD23)
assign (resid   16 and name  HB2) (resid   17 and name  HG2) 2.843 2.843 3.157 !13Cnoesy, no=427, id=355, vol=3.607300e+01
    or (resid   16 and name  HB2) (resid   21 and name   HB)
assign (resid    3 and name  HE1) (resid    3 and name  HG1) 2.832 1.003 1.003 !13Cnoesy, no=430, id=358, vol=4.159300e+01
    or (resid    3 and name  HE1) (resid    3 and name  HG2)
assign (resid    3 and name  HE2) (resid    3 and name  HD2) 2.411 0.727 0.727 !13Cnoesy, no=445, id=370, vol=4.148200e+01
    or (resid    3 and name  HE2) (resid    3 and name  HD1)
    or (resid   74 and name  HE1) (resid   74 and name  HD1)
assign (resid   74 and name  HE2) (resid   28 and name   HA) 2.915 1.115 3.935 !13Cnoesy, no=450, id=374, vol=4.136000e+01
    or (resid   74 and name  HE2) (resid   34 and name   HA)
assign (resid   74 and name  HE2) (resid   74 and name  HD1) 2.506 0.785 0.785 !13Cnoesy, no=451, id=375, vol=4.144100e+01
    or (resid   77 and name  HE1) (resid   77 and name  HD2)
assign (resid   24 and name  HD2) (resid   23 and name HG22) 2.927 1.071 1.071 !13Cnoesy, no=459, id=382, vol=5.014100e+01
    or (resid   24 and name  HD2) (resid   23 and name HG21)
    or (resid   24 and name  HD2) (resid   23 and name HG23)
    or (resid   24 and name  HD2) (resid   24 and name  HG1)
assign (resid   11 and name  HB1) (resid   11 and name  HG2) 1.872 0.438 0.438 !13Cnoesy, no=467, id=388, vol=3.209100e+01
    or (resid   11 and name  HB1) (resid   11 and name  HG1)
    or (resid   11 and name  HB1) (resid   11 and name  HB2)
assign (resid    5 and name  HG2) (resid   21 and name HG22) 2.492 2.492 3.508 !13Cnoesy, no=472, id=391, vol=3.619500e+01
    or (resid    5 and name  HG2) (resid   21 and name HG21)
    or (resid    5 and name  HG2) (resid   21 and name HG23)
    or (resid    5 and name  HG1) (resid   21 and name HG22)
    or (resid    5 and name  HG1) (resid   21 and name HG21)
    or (resid    5 and name  HG1) (resid   21 and name HG23)
    or (resid   62 and name  HG2) (resid   66 and name HG22)
    or (resid   62 and name  HG2) (resid   66 and name HG21)
    or (resid   62 and name  HG2) (resid   66 and name HG23)
    or (resid   62 and name  HG1) (resid   66 and name HG22)
    or (resid   62 and name  HG1) (resid   66 and name HG21)
    or (resid   62 and name  HG1) (resid   66 and name HG23)
    or (resid   62 and name  HG2) (resid   66 and name HG12)
    or (resid   62 and name  HG2) (resid   66 and name HG11)
    or (resid   62 and name  HG2) (resid   66 and name HG13)
    or (resid   62 and name  HG1) (resid   66 and name HG12)
    or (resid   62 and name  HG1) (resid   66 and name HG11)
    or (resid   62 and name  HG1) (resid   66 and name HG13)
    or (resid   63 and name  HG1) (resid   66 and name HG22)
    or (resid   63 and name  HG1) (resid   66 and name HG21)
    or (resid   63 and name  HG1) (resid   66 and name HG23)
    or (resid   63 and name  HG1) (resid   66 and name HG12)
    or (resid   63 and name  HG1) (resid   66 and name HG11)
    or (resid   63 and name  HG1) (resid   66 and name HG13)
assign (resid    5 and name  HG2) (resid    5 and name  HB2) 1.644 0.338 0.338 !13Cnoesy, no=473, id=392, vol=3.635400e+01
    or (resid    5 and name  HG1) (resid    5 and name  HB2)
    or (resid   25 and name  HG2) (resid   25 and name  HB1)
    or (resid   25 and name  HG1) (resid   25 and name  HB1)
    or (resid   62 and name  HG2) (resid   62 and name  HB2)
    or (resid   62 and name  HG2) (resid   62 and name  HB1)
    or (resid   62 and name  HG1) (resid   62 and name  HB2)
    or (resid   62 and name  HG1) (resid   62 and name  HB1)
    or (resid   63 and name  HG2) (resid   63 and name  HB2)
    or (resid   63 and name  HG2) (resid   63 and name  HB1)
assign (resid   25 and name  HG2) (resid   28 and name  HB2) 2.798 0.978 0.978 !13Cnoesy, no=474, id=393, vol=3.638400e+01
    or (resid   25 and name  HG1) (resid   28 and name  HB2)
    or (resid   25 and name  HG2) (resid   65 and name  HG2)
    or (resid   25 and name  HG1) (resid   65 and name  HG2)
    or (resid   62 and name  HG2) (resid   28 and name  HB2)
    or (resid   62 and name  HG1) (resid   28 and name  HB2)
    or (resid   62 and name  HG2) (resid   65 and name  HG2)
    or (resid   62 and name  HG1) (resid   65 and name  HG2)
    or (resid   63 and name  HG2) (resid   67 and name  HG2)
    or (resid   63 and name  HG2) (resid   67 and name  HG1)
    or (resid    5 and name  HG2) (resid    4 and name  HB2)
    or (resid    5 and name  HG2) (resid    4 and name  HB1)
    or (resid    5 and name  HG1) (resid    4 and name  HB2)
    or (resid    5 and name  HG1) (resid    4 and name  HB1)
    or (resid    5 and name  HG2) (resid    4 and name   HG)
    or (resid    5 and name  HG1) (resid    4 and name   HG)
assign (resid    5 and name  HG2) (resid   77 and name  HG2) 3.242 1.314 1.314 !13Cnoesy, no=479, id=397, vol=3.631500e+01
    or (resid    5 and name  HG1) (resid   77 and name  HG2)
    or (resid    5 and name  HG2) (resid    3 and name  HG2)
    or (resid    5 and name  HG1) (resid    3 and name  HG2)
    or (resid    5 and name  HG2) (resid    7 and name  HG2)
    or (resid    5 and name  HG1) (resid    7 and name  HG2)
assign (resid    5 and name  HG2) (resid    8 and name HG21) 3.150 3.150 2.850 !13Cnoesy, no=480, id=398, vol=3.637100e+01
    or (resid    5 and name  HG2) (resid    8 and name HG22)
    or (resid    5 and name  HG2) (resid    8 and name HG23)
    or (resid    5 and name  HG1) (resid    8 and name HG21)
    or (resid    5 and name  HG1) (resid    8 and name HG22)
    or (resid    5 and name  HG1) (resid    8 and name HG23)
    or (resid   25 and name  HG2) (resid   23 and name HG22)
    or (resid   25 and name  HG2) (resid   23 and name HG21)
    or (resid   25 and name  HG2) (resid   23 and name HG23)
    or (resid   25 and name  HG1) (resid   23 and name HG22)
    or (resid   25 and name  HG1) (resid   23 and name HG21)
    or (resid   25 and name  HG1) (resid   23 and name HG23)
    or (resid   25 and name  HG2) (resid   23 and name HG12)
    or (resid   25 and name  HG2) (resid   23 and name HG11)
    or (resid   25 and name  HG2) (resid   23 and name HG13)
    or (resid   25 and name  HG1) (resid   23 and name HG12)
    or (resid   25 and name  HG1) (resid   23 and name HG11)
    or (resid   25 and name  HG1) (resid   23 and name HG13)
    or (resid   25 and name  HG2) (resid   24 and name  HG1)
    or (resid   25 and name  HG1) (resid   24 and name  HG1)
assign (resid   23 and name   HB) (resid   14 and name  HB1) 3.020 1.140 1.140 !13Cnoesy, no=485, id=403, vol=3.413200e+01
    or (resid   23 and name   HB) (resid   16 and name  HB2)
    or (resid   23 and name   HB) (resid   35 and name  HB2)
assign (resid   23 and name   HB) (resid   23 and name HG22) 2.383 0.710 0.710 !13Cnoesy, no=487, id=405, vol=3.406900e+01
    or (resid   23 and name   HB) (resid   23 and name HG21)
    or (resid   23 and name   HB) (resid   23 and name HG23)
    or (resid   23 and name   HB) (resid   23 and name HG12)
    or (resid   23 and name   HB) (resid   23 and name HG11)
    or (resid   23 and name   HB) (resid   23 and name HG13)
assign (resid   66 and name   HB) (resid   69 and name  HB2) 3.383 1.431 1.431 !13Cnoesy, no=497, id=413, vol=3.232600e+01
    or (resid   66 and name   HB) (resid   69 and name  HB1)
    or (resid   66 and name   HB) (resid   69 and name  HB3)
    or (resid   66 and name   HB) (resid   26 and name  HG2)
    or (resid   66 and name   HB) (resid   26 and name  HG1)
    or (resid   66 and name   HB) (resid   28 and name  HB2)
assign (resid   66 and name   HB) (resid   66 and name HG22) 1.867 0.436 0.436 !13Cnoesy, no=498, id=414, vol=3.230500e+01
    or (resid   66 and name   HB) (resid   66 and name HG21)
    or (resid   66 and name   HB) (resid   66 and name HG23)
    or (resid   66 and name   HB) (resid   66 and name HG12)
    or (resid   66 and name   HB) (resid   66 and name HG11)
    or (resid   66 and name   HB) (resid   66 and name HG13)
assign (resid   62 and name  HB2) (resid   58 and name   HA) 3.057 1.168 1.168 !13Cnoesy, no=504, id=418, vol=2.982500e+01
    or (resid   62 and name  HB1) (resid   58 and name   HA)
    or (resid   62 and name  HB2) (resid   60 and name   HA)
    or (resid   62 and name  HB1) (resid   60 and name   HA)
    or (resid   63 and name  HB2) (resid   60 and name   HA)
    or (resid   63 and name  HB1) (resid   60 and name   HA)
assign (resid   62 and name  HB2) (resid   66 and name HG22) 2.654 2.654 3.346 !13Cnoesy, no=507, id=421, vol=2.981400e+01
    or (resid   62 and name  HB2) (resid   66 and name HG21)
    or (resid   62 and name  HB2) (resid   66 and name HG23)
    or (resid   62 and name  HB1) (resid   66 and name HG22)
    or (resid   62 and name  HB1) (resid   66 and name HG21)
    or (resid   62 and name  HB1) (resid   66 and name HG23)
    or (resid   63 and name  HB2) (resid   66 and name HG22)
    or (resid   63 and name  HB2) (resid   66 and name HG21)
    or (resid   63 and name  HB2) (resid   66 and name HG23)
    or (resid   63 and name  HB1) (resid   66 and name HG22)
    or (resid   63 and name  HB1) (resid   66 and name HG21)
    or (resid   63 and name  HB1) (resid   66 and name HG23)
    or (resid   63 and name  HB2) (resid   66 and name HG12)
    or (resid   63 and name  HB2) (resid   66 and name HG11)
    or (resid   63 and name  HB2) (resid   66 and name HG13)
    or (resid   63 and name  HB1) (resid   66 and name HG12)
    or (resid   63 and name  HB1) (resid   66 and name HG11)
    or (resid   63 and name  HB1) (resid   66 and name HG13)
assign (resid   62 and name  HG2) (resid   62 and name  HB2) 1.617 0.327 0.327 !13Cnoesy, no=508, id=422, vol=2.980700e+01
    or (resid   62 and name  HG2) (resid   62 and name  HB1)
    or (resid   62 and name  HG1) (resid   62 and name  HB2)
    or (resid   62 and name  HG1) (resid   62 and name  HB1)
    or (resid   63 and name  HG2) (resid   63 and name  HB2)
    or (resid   63 and name  HG2) (resid   63 and name  HB1)
    or (resid   63 and name  HB2) (resid   63 and name  HG1)
    or (resid   63 and name  HB1) (resid   63 and name  HG1)
assign (resid   62 and name  HB2) (resid   61 and name HG21) 3.510 1.540 1.540 !13Cnoesy, no=510, id=423, vol=2.975300e+01
    or (resid   62 and name  HB2) (resid   61 and name HG22)
    or (resid   62 and name  HB2) (resid   61 and name HG23)
    or (resid   62 and name  HB1) (resid   61 and name HG21)
    or (resid   62 and name  HB1) (resid   61 and name HG22)
    or (resid   62 and name  HB1) (resid   61 and name HG23)
    or (resid   63 and name  HB2) (resid   61 and name HG21)
    or (resid   63 and name  HB2) (resid   61 and name HG22)
    or (resid   63 and name  HB2) (resid   61 and name HG23)
    or (resid   63 and name  HB1) (resid   61 and name HG21)
    or (resid   63 and name  HB1) (resid   61 and name HG22)
    or (resid   63 and name  HB1) (resid   61 and name HG23)
assign (resid   62 and name   HA) (resid   62 and name  HB2) 1.970 0.485 0.485 !13Cnoesy, no=511, id=424, vol=2.976800e+01
    or (resid   62 and name   HA) (resid   62 and name  HB1)
    or (resid   63 and name   HA) (resid   63 and name  HB2)
    or (resid   63 and name   HA) (resid   63 and name  HB1)
assign (resid   11 and name  HB2) (resid    9 and name   HA) 3.158 3.158 2.842 !13Cnoesy, no=518, id=430, vol=3.212900e+01
    or (resid   17 and name  HB2) (resid   16 and name   HA)
assign (resid   11 and name  HB1) (resid   11 and name  HB2) 1.911 0.457 0.457 !13Cnoesy, no=523, id=435, vol=3.209000e+01
    or (resid   17 and name  HB2) (resid   17 and name  HB1)
assign (resid   26 and name  HB1) (resid   26 and name  HG2) 2.530 0.800 0.800 !13Cnoesy, no=543, id=452, vol=2.948300e+01
    or (resid   26 and name  HB1) (resid   26 and name  HG1)
    or (resid   26 and name  HB1) (resid   69 and name  HB2)
    or (resid   26 and name  HB1) (resid   69 and name  HB1)
    or (resid   26 and name  HB1) (resid   69 and name  HB3)
assign (resid   25 and name  HB2) (resid   24 and name  HB2) 3.527 1.555 1.555 !13Cnoesy, no=544, id=453, vol=2.945100e+01
    or (resid   26 and name  HB1) (resid   24 and name  HB2)
assign (resid   41 and name  HG2) (resid   33 and name  HG1) 2.909 1.057 1.057 !13Cnoesy, no=553, id=460, vol=3.684200e+01
    or (resid   41 and name  HG2) (resid   41 and name  HB2)
assign (resid   38 and name  HA2) (resid   33 and name  HB1) 3.131 1.225 1.225 !13Cnoesy, no=554, id=461, vol=3.051200e+01
    or (resid   73 and name  HB2) (resid   13 and name  HB2)
    or (resid   73 and name  HB2) (resid   13 and name  HB1)
    or (resid   73 and name  HB1) (resid   13 and name  HB2)
    or (resid   73 and name  HB1) (resid   13 and name  HB1)
assign (resid   65 and name  HB2) (resid   65 and name   HA) 1.779 0.395 0.395 !13Cnoesy, no=557, id=464, vol=3.046300e+01
    or (resid   65 and name  HB1) (resid   65 and name   HA)
    or (resid   67 and name  HB2) (resid   67 and name   HA)
    or (resid   67 and name  HB1) (resid   67 and name   HA)
    or (resid   73 and name  HB2) (resid   73 and name   HA)
    or (resid   73 and name  HB1) (resid   73 and name   HA)
assign (resid   65 and name  HD2) (resid   65 and name  HB2) 1.775 0.394 0.394 !13Cnoesy, no=558, id=465, vol=3.046100e+01
    or (resid   65 and name  HD2) (resid   65 and name  HB1)
    or (resid   65 and name  HD1) (resid   65 and name  HB2)
    or (resid   65 and name  HD1) (resid   65 and name  HB1)
    or (resid   67 and name  HD2) (resid   67 and name  HB2)
    or (resid   67 and name  HD2) (resid   67 and name  HB1)
    or (resid   67 and name  HD1) (resid   67 and name  HB2)
    or (resid   67 and name  HD1) (resid   67 and name  HB1)
    or (resid   73 and name  HD2) (resid   73 and name  HB2)
    or (resid   73 and name  HD2) (resid   73 and name  HB1)
    or (resid   73 and name  HD1) (resid   73 and name  HB2)
    or (resid   73 and name  HD1) (resid   73 and name  HB1)
assign (resid   33 and name  HB1) (resid   33 and name  HG1) 1.588 0.315 0.315 !13Cnoesy, no=560, id=466, vol=3.050300e+01
    or (resid   67 and name  HB2) (resid   67 and name  HG2)
    or (resid   67 and name  HB2) (resid   67 and name  HG1)
    or (resid   67 and name  HB1) (resid   67 and name  HG2)
    or (resid   67 and name  HB1) (resid   67 and name  HG1)
    or (resid   76 and name  HB1) (resid   76 and name  HG2)
assign (resid   73 and name  HB2) (resid   72 and name HD22) 2.158 0.542 1.192 !13Cnoesy, no=561, id=467, vol=3.048600e+01
    or (resid   73 and name  HB2) (resid   72 and name HD21)
    or (resid   73 and name  HB2) (resid   72 and name HD23)
    or (resid   73 and name  HB1) (resid   72 and name HD22)
    or (resid   73 and name  HB1) (resid   72 and name HD21)
    or (resid   73 and name  HB1) (resid   72 and name HD23)
    or (resid   76 and name  HB1) (resid   72 and name HD22)
    or (resid   76 and name  HB1) (resid   72 and name HD21)
    or (resid   76 and name  HB1) (resid   72 and name HD23)
    or (resid   76 and name  HB1) (resid   72 and name HD12)
    or (resid   76 and name  HB1) (resid   72 and name HD11)
    or (resid   76 and name  HB1) (resid   72 and name HD13)
    or (resid   65 and name  HB2) (resid   48 and name HD22)
    or (resid   65 and name  HB2) (resid   48 and name HD21)
    or (resid   65 and name  HB2) (resid   48 and name HD23)
    or (resid   65 and name  HB1) (resid   48 and name HD22)
    or (resid   65 and name  HB1) (resid   48 and name HD21)
    or (resid   65 and name  HB1) (resid   48 and name HD23)
    or (resid   65 and name  HB2) (resid   64 and name HD22)
    or (resid   65 and name  HB2) (resid   64 and name HD21)
    or (resid   65 and name  HB2) (resid   64 and name HD23)
    or (resid   65 and name  HB1) (resid   64 and name HD22)
    or (resid   65 and name  HB1) (resid   64 and name HD21)
    or (resid   65 and name  HB1) (resid   64 and name HD23)
    or (resid   65 and name  HB2) (resid   64 and name HD12)
    or (resid   65 and name  HB2) (resid   64 and name HD11)
    or (resid   65 and name  HB2) (resid   64 and name HD13)
    or (resid   65 and name  HB1) (resid   64 and name HD12)
    or (resid   65 and name  HB1) (resid   64 and name HD11)
    or (resid   65 and name  HB1) (resid   64 and name HD13)
    or (resid   67 and name  HB2) (resid   64 and name HD12)
    or (resid   67 and name  HB2) (resid   64 and name HD11)
    or (resid   67 and name  HB2) (resid   64 and name HD13)
    or (resid   67 and name  HB1) (resid   64 and name HD12)
    or (resid   67 and name  HB1) (resid   64 and name HD11)
    or (resid   67 and name  HB1) (resid   64 and name HD13)
assign (resid   35 and name  HB1) (resid   39 and name  HB2) 2.529 0.799 0.799 !13Cnoesy, no=574, id=479, vol=1.988000e+01
    or (resid   35 and name  HB1) (resid   39 and name  HB1)
    or (resid   35 and name  HB1) (resid   39 and name  HB3)
    or (resid   40 and name   HA) (resid   39 and name  HB2)
    or (resid   40 and name   HA) (resid   39 and name  HB1)
    or (resid   40 and name   HA) (resid   39 and name  HB3)
assign (resid   39 and name  HB2) (resid   17 and name  HG1) 2.299 0.661 0.661 !13Cnoesy, no=576, id=481, vol=1.987600e+01
    or (resid   39 and name  HB1) (resid   17 and name  HG1)
    or (resid   39 and name  HB3) (resid   17 and name  HG1)
    or (resid   39 and name  HB2) (resid   17 and name  HB1)
    or (resid   39 and name  HB1) (resid   17 and name  HB1)
    or (resid   39 and name  HB3) (resid   17 and name  HB1)
assign (resid   39 and name  HB2) (resid    4 and name HD22) 3.175 3.175 2.825 !13Cnoesy, no=579, id=483, vol=1.987800e+01
    or (resid   39 and name  HB2) (resid    4 and name HD21)
    or (resid   39 and name  HB2) (resid    4 and name HD23)
    or (resid   39 and name  HB1) (resid    4 and name HD22)
    or (resid   39 and name  HB1) (resid    4 and name HD21)
    or (resid   39 and name  HB1) (resid    4 and name HD23)
    or (resid   39 and name  HB3) (resid    4 and name HD22)
    or (resid   39 and name  HB3) (resid    4 and name HD21)
    or (resid   39 and name  HB3) (resid    4 and name HD23)
    or (resid   39 and name  HB2) (resid    4 and name HD12)
    or (resid   39 and name  HB2) (resid    4 and name HD11)
    or (resid   39 and name  HB2) (resid    4 and name HD13)
    or (resid   39 and name  HB1) (resid    4 and name HD12)
    or (resid   39 and name  HB1) (resid    4 and name HD11)
    or (resid   39 and name  HB1) (resid    4 and name HD13)
    or (resid   39 and name  HB3) (resid    4 and name HD12)
    or (resid   39 and name  HB3) (resid    4 and name HD11)
    or (resid   39 and name  HB3) (resid    4 and name HD13)
assign (resid   39 and name  HB2) (resid   40 and name  HB2) 3.469 1.504 1.504 !13Cnoesy, no=580, id=484, vol=1.988600e+01
    or (resid   39 and name  HB1) (resid   40 and name  HB2)
    or (resid   39 and name  HB3) (resid   40 and name  HB2)
    or (resid   39 and name  HB2) (resid   37 and name  HB1)
    or (resid   39 and name  HB1) (resid   37 and name  HB1)
    or (resid   39 and name  HB3) (resid   37 and name  HB1)
assign (resid   39 and name  HB2) (resid   19 and name HG21) 2.884 1.040 1.040 !13Cnoesy, no=581, id=485, vol=1.985200e+01
    or (resid   39 and name  HB2) (resid   19 and name HG22)
    or (resid   39 and name  HB2) (resid   19 and name HG23)
    or (resid   39 and name  HB1) (resid   19 and name HG21)
    or (resid   39 and name  HB1) (resid   19 and name HG22)
    or (resid   39 and name  HB1) (resid   19 and name HG23)
    or (resid   39 and name  HB3) (resid   19 and name HG21)
    or (resid   39 and name  HB3) (resid   19 and name HG22)
    or (resid   39 and name  HB3) (resid   19 and name HG23)
    or (resid   39 and name  HB2) (resid   45 and name  HB2)
    or (resid   39 and name  HB2) (resid   45 and name  HB1)
    or (resid   39 and name  HB2) (resid   45 and name  HB3)
    or (resid   39 and name  HB1) (resid   45 and name  HB2)
    or (resid   39 and name  HB1) (resid   45 and name  HB1)
    or (resid   39 and name  HB1) (resid   45 and name  HB3)
    or (resid   39 and name  HB3) (resid   45 and name  HB2)
    or (resid   39 and name  HB3) (resid   45 and name  HB1)
    or (resid   39 and name  HB3) (resid   45 and name  HB3)
assign (resid   26 and name  HB2) (resid   26 and name   HA) 2.640 0.871 0.871 !13Cnoesy, no=586, id=490, vol=2.943400e+01
    or (resid   26 and name  HB2) (resid   70 and name   HA)
assign (resid    3 and name  HB1) (resid    4 and name HD22) 3.060 1.171 1.171 !13Cnoesy, no=595, id=498, vol=3.295400e+01
    or (resid    3 and name  HB1) (resid    4 and name HD21)
    or (resid    3 and name  HB1) (resid    4 and name HD23)
    or (resid    3 and name  HB1) (resid    4 and name HD12)
    or (resid    3 and name  HB1) (resid    4 and name HD11)
    or (resid    3 and name  HB1) (resid    4 and name HD13)
    or (resid   77 and name  HB1) (resid   80 and name HD22)
    or (resid   77 and name  HB1) (resid   80 and name HD21)
    or (resid   77 and name  HB1) (resid   80 and name HD23)
    or (resid   77 and name  HB1) (resid   80 and name HD12)
    or (resid   77 and name  HB1) (resid   80 and name HD11)
    or (resid   77 and name  HB1) (resid   80 and name HD13)
assign (resid    3 and name  HB1) (resid    3 and name  HG1) 2.179 0.593 0.593 !13Cnoesy, no=597, id=500, vol=3.295400e+01
    or (resid   77 and name  HB1) (resid   77 and name  HG1)
assign (resid   65 and name  HG1) (resid   62 and name  HG2) 3.703 1.714 1.714 !13Cnoesy, no=598, id=501, vol=2.744800e+01
    or (resid   65 and name  HG1) (resid   62 and name  HG1)
    or (resid   65 and name  HG1) (resid   63 and name  HG1)
    or (resid   73 and name  HG1) (resid   11 and name  HB1)
assign (resid   65 and name  HG1) (resid   65 and name  HD2) 1.764 0.389 0.389 !13Cnoesy, no=601, id=504, vol=2.744700e+01
    or (resid   65 and name  HG1) (resid   65 and name  HD1)
    or (resid   73 and name  HG1) (resid   73 and name  HD2)
    or (resid   73 and name  HG1) (resid   73 and name  HD1)
    or (resid   76 and name  HG1) (resid   76 and name  HD2)
    or (resid   76 and name  HG1) (resid   76 and name  HD1)
assign (resid    3 and name  HB2) (resid    3 and name  HG2) 2.066 0.534 0.534 !13Cnoesy, no=605, id=508, vol=3.295400e+01
    or (resid    7 and name  HB2) (resid    7 and name  HG2)
    or (resid    7 and name  HB2) (resid    7 and name  HG1)
    or (resid   77 and name  HB2) (resid   77 and name  HG1)
assign (resid    3 and name  HB2) (resid    3 and name  HE1) 3.310 1.370 1.370 !13Cnoesy, no=606, id=509, vol=3.295400e+01
    or (resid    7 and name  HB2) (resid    7 and name  HE2)
assign (resid   77 and name  HB2) (resid   80 and name HD12) 3.105 1.205 1.205 !13Cnoesy, no=607, id=510, vol=3.295400e+01
    or (resid   77 and name  HB2) (resid   80 and name HD11)
    or (resid   77 and name  HB2) (resid   80 and name HD13)
    or (resid    3 and name  HB2) (resid    4 and name HD22)
    or (resid    3 and name  HB2) (resid    4 and name HD21)
    or (resid    3 and name  HB2) (resid    4 and name HD23)
    or (resid    3 and name  HB2) (resid    4 and name HD12)
    or (resid    3 and name  HB2) (resid    4 and name HD11)
    or (resid    3 and name  HB2) (resid    4 and name HD13)
    or (resid    7 and name  HB2) (resid    4 and name HD22)
    or (resid    7 and name  HB2) (resid    4 and name HD21)
    or (resid    7 and name  HB2) (resid    4 and name HD23)
    or (resid    7 and name  HB2) (resid    4 and name HD12)
    or (resid    7 and name  HB2) (resid    4 and name HD11)
    or (resid    7 and name  HB2) (resid    4 and name HD13)
    or (resid    7 and name  HB2) (resid   72 and name HD22)
    or (resid    7 and name  HB2) (resid   72 and name HD21)
    or (resid    7 and name  HB2) (resid   72 and name HD23)
    or (resid   77 and name  HB2) (resid   72 and name HD22)
    or (resid   77 and name  HB2) (resid   72 and name HD21)
    or (resid   77 and name  HB2) (resid   72 and name HD23)
assign (resid   41 and name  HB2) (resid   33 and name  HE2) 3.603 1.622 1.622 !13Cnoesy, no=611, id=514, vol=3.066900e+01
    or (resid   41 and name  HB2) (resid   33 and name  HE1)
    or (resid   41 and name  HB2) (resid   47 and name  HB1)
assign (resid   67 and name  HD2) (resid   67 and name  HG2) 1.836 0.422 0.422 !13Cnoesy, no=618, id=520, vol=2.736800e+01
    or (resid   67 and name  HD2) (resid   67 and name  HG1)
    or (resid   67 and name  HD1) (resid   67 and name  HG2)
    or (resid   67 and name  HD1) (resid   67 and name  HG1)
    or (resid   78 and name  HD2) (resid   78 and name  HG2)
    or (resid   78 and name  HD2) (resid   78 and name  HG1)
    or (resid   78 and name  HD1) (resid   78 and name  HG2)
    or (resid   78 and name  HD1) (resid   78 and name  HG1)
assign (resid   67 and name  HB2) (resid   67 and name  HG2) 1.708 0.365 0.365 !13Cnoesy, no=619, id=521, vol=2.735400e+01
    or (resid   67 and name  HB2) (resid   67 and name  HG1)
    or (resid   67 and name  HB1) (resid   67 and name  HG2)
    or (resid   67 and name  HB1) (resid   67 and name  HG1)
    or (resid   78 and name  HG2) (resid   78 and name  HB1)
    or (resid   78 and name  HG1) (resid   78 and name  HB1)
assign (resid   67 and name   HA) (resid   67 and name  HG2) 2.025 0.513 0.513 !13Cnoesy, no=620, id=522, vol=2.736200e+01
    or (resid   67 and name   HA) (resid   67 and name  HG1)
    or (resid   80 and name   HA) (resid   80 and name   HG)
assign (resid   65 and name  HG2) (resid   66 and name   HA) 3.242 1.314 1.314 !13Cnoesy, no=621, id=523, vol=2.740700e+01
    or (resid   73 and name  HG2) (resid   25 and name   HA)
    or (resid   73 and name  HG2) (resid   27 and name  HB1)
    or (resid   80 and name   HG) (resid    6 and name  HA2)
    or (resid   80 and name   HG) (resid    6 and name  HA1)
assign (resid   80 and name  HB2) (resid   80 and name HD22) 1.930 0.466 0.466 !13Cnoesy, no=632, id=532, vol=4.351300e+01
    or (resid   80 and name  HB2) (resid   80 and name HD21)
    or (resid   80 and name  HB2) (resid   80 and name HD23)
    or (resid   80 and name  HB1) (resid   80 and name HD22)
    or (resid   80 and name  HB1) (resid   80 and name HD21)
    or (resid   80 and name  HB1) (resid   80 and name HD23)
    or (resid   80 and name  HB2) (resid   80 and name HD12)
    or (resid   80 and name  HB2) (resid   80 and name HD11)
    or (resid   80 and name  HB2) (resid   80 and name HD13)
    or (resid   80 and name  HB1) (resid   80 and name HD12)
    or (resid   80 and name  HB1) (resid   80 and name HD11)
    or (resid   80 and name  HB1) (resid   80 and name HD13)
assign (resid   79 and name  HB2) (resid   79 and name HD22) 1.773 0.393 0.393 !13Cnoesy, no=634, id=534, vol=4.213100e+01
    or (resid   79 and name  HB2) (resid   79 and name HD21)
    or (resid   79 and name  HB2) (resid   79 and name HD23)
    or (resid   79 and name  HB1) (resid   79 and name HD22)
    or (resid   79 and name  HB1) (resid   79 and name HD21)
    or (resid   79 and name  HB1) (resid   79 and name HD23)
    or (resid   79 and name  HB2) (resid   79 and name HD12)
    or (resid   79 and name  HB2) (resid   79 and name HD11)
    or (resid   79 and name  HB2) (resid   79 and name HD13)
    or (resid   79 and name  HB1) (resid   79 and name HD12)
    or (resid   79 and name  HB1) (resid   79 and name HD11)
    or (resid   79 and name  HB1) (resid   79 and name HD13)
assign (resid   67 and name  HD2) (resid   64 and name  HB2) 2.949 1.087 1.087 !13Cnoesy, no=635, id=535, vol=4.209100e+01
    or (resid   67 and name  HD1) (resid   64 and name  HB2)
    or (resid   68 and name  HB2) (resid   26 and name  HD2)
    or (resid   68 and name  HB2) (resid   26 and name  HD1)
    or (resid   68 and name  HB1) (resid   26 and name  HD2)
    or (resid   68 and name  HB1) (resid   26 and name  HD1)
    or (resid   68 and name  HB2) (resid   67 and name  HD2)
    or (resid   68 and name  HB2) (resid   67 and name  HD1)
    or (resid   68 and name  HB1) (resid   67 and name  HD2)
    or (resid   68 and name  HB1) (resid   67 and name  HD1)
    or (resid   68 and name  HB2) (resid   71 and name  HB2)
    or (resid   68 and name  HB1) (resid   71 and name  HB2)
    or (resid   68 and name  HB2) (resid   71 and name  HB1)
    or (resid   68 and name  HB1) (resid   71 and name  HB1)
    or (resid   78 and name  HD2) (resid   79 and name  HB2)
    or (resid   78 and name  HD2) (resid   79 and name  HB1)
    or (resid   78 and name  HD1) (resid   79 and name  HB2)
    or (resid   78 and name  HD1) (resid   79 and name  HB1)
assign (resid    4 and name  HB2) (resid    7 and name  HE2) 3.252 3.252 2.748 !13Cnoesy, no=637, id=537, vol=4.203500e+01
    or (resid    4 and name  HB1) (resid    7 and name  HE2)
    or (resid    4 and name  HB2) (resid   22 and name  HB2)
    or (resid    4 and name  HB1) (resid   22 and name  HB2)
    or (resid    4 and name  HB2) (resid   34 and name  HB1)
    or (resid    4 and name  HB1) (resid   34 and name  HB1)
assign (resid   77 and name  HD1) (resid   73 and name  HD2) 3.545 1.571 1.671 !13Cnoesy, no=638, id=538, vol=2.923900e+01
    or (resid   77 and name  HD1) (resid   73 and name  HD1)
    or (resid   77 and name  HD1) (resid   76 and name  HD2)
    or (resid   77 and name  HD1) (resid   76 and name  HD1)
    or (resid   77 and name  HD1) (resid   78 and name  HD2)
    or (resid   77 and name  HD1) (resid   78 and name  HD1)
assign (resid   44 and name  HB2) (resid   40 and name   HA) 3.573 1.596 1.596 !13Cnoesy, no=646, id=546, vol=1.822800e+01
    or (resid   44 and name  HB1) (resid   40 and name   HA)
    or (resid   44 and name  HB3) (resid   40 and name   HA)
    or (resid   44 and name  HB2) (resid   46 and name  HA2)
    or (resid   44 and name  HB1) (resid   46 and name  HA2)
    or (resid   44 and name  HB3) (resid   46 and name  HA2)
assign (resid   44 and name  HB2) (resid   42 and name   HA) 3.283 1.347 1.447 !13Cnoesy, no=650, id=549, vol=1.823600e+01
    or (resid   44 and name  HB1) (resid   42 and name   HA)
    or (resid   44 and name  HB3) (resid   42 and name   HA)
    or (resid   50 and name   HA) (resid   44 and name  HB2)
    or (resid   50 and name   HA) (resid   44 and name  HB1)
    or (resid   50 and name   HA) (resid   44 and name  HB3)
assign (resid   44 and name  HB2) (resid   17 and name  HG2) 2.489 0.774 0.774 !13Cnoesy, no=651, id=550, vol=1.823500e+01
    or (resid   44 and name  HB1) (resid   17 and name  HG2)
    or (resid   44 and name  HB3) (resid   17 and name  HG2)
    or (resid   39 and name  HB2) (resid   44 and name  HB2)
    or (resid   39 and name  HB2) (resid   44 and name  HB1)
    or (resid   39 and name  HB2) (resid   44 and name  HB3)
    or (resid   39 and name  HB1) (resid   44 and name  HB2)
    or (resid   39 and name  HB1) (resid   44 and name  HB1)
    or (resid   39 and name  HB1) (resid   44 and name  HB3)
    or (resid   39 and name  HB3) (resid   44 and name  HB2)
    or (resid   39 and name  HB3) (resid   44 and name  HB1)
    or (resid   39 and name  HB3) (resid   44 and name  HB3)
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.384 0.710 0.710 !13Cnoesy, no=654, id=553, vol=2.712400e+01
    or (resid   26 and name  HG1) (resid   26 and name   HA)
    or (resid   48 and name   HG) (resid   48 and name   HA)
assign (resid   26 and name  HG2) (resid   24 and name  HB2) 3.084 1.189 1.189 !13Cnoesy, no=656, id=554, vol=2.716000e+01
    or (resid   26 and name  HG1) (resid   24 and name  HB2)
    or (resid   48 and name   HG) (resid   61 and name HG21)
    or (resid   48 and name   HG) (resid   61 and name HG22)
    or (resid   48 and name   HG) (resid   61 and name HG23)
assign (resid   48 and name   HG) (resid   48 and name HD22) 2.148 0.577 0.577 !13Cnoesy, no=657, id=555, vol=2.708800e+01
    or (resid   48 and name   HG) (resid   48 and name HD21)
    or (resid   48 and name   HG) (resid   48 and name HD23)
    or (resid   48 and name   HG) (resid   48 and name HD12)
    or (resid   48 and name   HG) (resid   48 and name HD11)
    or (resid   48 and name   HG) (resid   48 and name HD13)
assign (resid   36 and name  HB2) (resid    1 and name  HA2) 3.228 1.302 1.302 !13Cnoesy, no=666, id=563, vol=1.807800e+01
    or (resid   36 and name  HB2) (resid    1 and name  HA1)
    or (resid   36 and name  HB1) (resid    1 and name  HA2)
    or (resid   36 and name  HB1) (resid    1 and name  HA1)
    or (resid   36 and name  HB3) (resid    1 and name  HA2)
    or (resid   36 and name  HB3) (resid    1 and name  HA1)
    or (resid   36 and name  HB2) (resid   35 and name  HB1)
    or (resid   36 and name  HB1) (resid   35 and name  HB1)
    or (resid   36 and name  HB3) (resid   35 and name  HB1)
assign (resid   36 and name  HB2) (resid   33 and name  HE2) 3.146 3.146 2.854 !13Cnoesy, no=668, id=565, vol=1.808400e+01
    or (resid   36 and name  HB2) (resid   33 and name  HE1)
    or (resid   36 and name  HB1) (resid   33 and name  HE2)
    or (resid   36 and name  HB1) (resid   33 and name  HE1)
    or (resid   36 and name  HB3) (resid   33 and name  HE2)
    or (resid   36 and name  HB3) (resid   33 and name  HE1)
    or (resid   36 and name  HB2) (resid   35 and name  HB2)
    or (resid   36 and name  HB1) (resid   35 and name  HB2)
    or (resid   36 and name  HB3) (resid   35 and name  HB2)
assign (resid   48 and name  HB2) (resid   48 and name HD22) 2.156 0.581 0.581 !13Cnoesy, no=680, id=574, vol=4.269600e+01
    or (resid   48 and name  HB2) (resid   48 and name HD21)
    or (resid   48 and name  HB2) (resid   48 and name HD23)
    or (resid   48 and name  HB1) (resid   48 and name HD22)
    or (resid   48 and name  HB1) (resid   48 and name HD21)
    or (resid   48 and name  HB1) (resid   48 and name HD23)
    or (resid   48 and name  HB2) (resid   48 and name HD12)
    or (resid   48 and name  HB2) (resid   48 and name HD11)
    or (resid   48 and name  HB2) (resid   48 and name HD13)
    or (resid   48 and name  HB1) (resid   48 and name HD12)
    or (resid   48 and name  HB1) (resid   48 and name HD11)
    or (resid   48 and name  HB1) (resid   48 and name HD13)
assign (resid    3 and name  HG1) (resid    3 and name  HE2) 2.920 1.066 1.066 !13Cnoesy, no=681, id=575, vol=2.493300e+01
    or (resid   77 and name  HG1) (resid   77 and name  HE1)
assign (resid    7 and name  HG1) (resid   27 and name  HZ2) 3.703 1.714 1.714 !13Cnoesy, no=683, id=577, vol=2.485100e+01
    or (resid   77 and name  HG1) (resid   27 and name  HZ2)
assign (resid    3 and name   HA) (resid    3 and name  HG1) 2.394 0.716 0.716 !13Cnoesy, no=684, id=578, vol=2.476300e+01
    or (resid    7 and name  HG1) (resid    7 and name   HA)
assign (resid    3 and name  HG1) (resid    3 and name  HD2) 1.891 0.447 0.447 !13Cnoesy, no=685, id=579, vol=2.476700e+01
    or (resid    3 and name  HG1) (resid    3 and name  HD1)
    or (resid   77 and name  HG1) (resid   77 and name  HD1)
assign (resid    7 and name   HA) (resid    7 and name  HG2) 2.495 0.778 0.778 !13Cnoesy, no=687, id=581, vol=2.477700e+01
    or (resid    3 and name   HA) (resid    3 and name  HG2)
assign (resid   74 and name  HG2) (resid   27 and name  HZ2) 3.583 1.604 1.604 !13Cnoesy, no=690, id=584, vol=2.491900e+01
    or (resid   77 and name  HG2) (resid   27 and name  HZ2)
assign (resid    3 and name  HG2) (resid    3 and name  HB1) 2.139 0.572 0.572 !13Cnoesy, no=691, id=585, vol=2.489500e+01
    or (resid   74 and name  HG2) (resid   74 and name  HB2)
    or (resid   74 and name  HG2) (resid   74 and name  HB1)
    or (resid   77 and name  HG2) (resid   77 and name  HB2)
assign (resid   61 and name HG21) (resid   58 and name   HA) 3.094 3.094 2.906 !13Cnoesy, no=698, id=591, vol=2.184700e+01
    or (resid   61 and name HG22) (resid   58 and name   HA)
    or (resid   61 and name HG23) (resid   58 and name   HA)
    or (resid   61 and name HG21) (resid   60 and name   HA)
    or (resid   61 and name HG22) (resid   60 and name   HA)
    or (resid   61 and name HG23) (resid   60 and name   HA)
assign (resid   61 and name   HB) (resid   61 and name HG21) 1.561 0.305 0.305 !13Cnoesy, no=699, id=592, vol=2.184900e+01
    or (resid   61 and name   HB) (resid   61 and name HG22)
    or (resid   61 and name   HB) (resid   61 and name HG23)
    or (resid   61 and name   HA) (resid   61 and name HG21)
    or (resid   61 and name   HA) (resid   61 and name HG22)
    or (resid   61 and name   HA) (resid   61 and name HG23)
assign (resid   61 and name HG21) (resid   58 and name  HB2) 2.817 2.817 3.183 !13Cnoesy, no=700, id=593, vol=2.182500e+01
    or (resid   61 and name HG22) (resid   58 and name  HB2)
    or (resid   61 and name HG23) (resid   58 and name  HB2)
    or (resid   61 and name HG21) (resid   60 and name  HB2)
    or (resid   61 and name HG22) (resid   60 and name  HB2)
    or (resid   61 and name HG23) (resid   60 and name  HB2)
assign (resid   61 and name HG21) (resid   62 and name  HG2) 3.051 3.051 2.949 !13Cnoesy, no=702, id=595, vol=2.186700e+01
    or (resid   61 and name HG21) (resid   62 and name  HG1)
    or (resid   61 and name HG22) (resid   62 and name  HG2)
    or (resid   61 and name HG22) (resid   62 and name  HG1)
    or (resid   61 and name HG23) (resid   62 and name  HG2)
    or (resid   61 and name HG23) (resid   62 and name  HG1)
    or (resid   61 and name HG21) (resid   63 and name  HG2)
    or (resid   61 and name HG22) (resid   63 and name  HG2)
    or (resid   61 and name HG23) (resid   63 and name  HG2)
assign (resid   64 and name  HB2) (resid   61 and name HG21) 2.456 0.754 0.754 !13Cnoesy, no=704, id=597, vol=2.186800e+01
    or (resid   64 and name  HB2) (resid   61 and name HG22)
    or (resid   64 and name  HB2) (resid   61 and name HG23)
    or (resid   61 and name HG21) (resid   64 and name   HG)
    or (resid   61 and name HG22) (resid   64 and name   HG)
    or (resid   61 and name HG23) (resid   64 and name   HG)
assign (resid   26 and name  HG2) (resid   24 and name  HB2) 3.098 1.199 1.199 !13Cnoesy, no=712, id=604, vol=3.225500e+01
    or (resid   26 and name  HG1) (resid   24 and name  HB2)
    or (resid   24 and name  HB2) (resid   73 and name  HG2)
assign (resid    8 and name HG21) (resid    7 and name  HE2) 3.510 1.540 1.540 !13Cnoesy, no=717, id=608, vol=2.154500e+01
    or (resid    8 and name HG22) (resid    7 and name  HE2)
    or (resid    8 and name HG23) (resid    7 and name  HE2)
    or (resid   52 and name HG21) (resid   49 and name  HB2)
    or (resid   52 and name HG22) (resid   49 and name  HB2)
    or (resid   52 and name HG23) (resid   49 and name  HB2)
assign (resid   45 and name  HB2) (resid   25 and name  HG2) 3.267 1.334 1.334 !13Cnoesy, no=724, id=615, vol=1.989800e+01
    or (resid   45 and name  HB2) (resid   25 and name  HG1)
    or (resid   45 and name  HB1) (resid   25 and name  HG2)
    or (resid   45 and name  HB1) (resid   25 and name  HG1)
    or (resid   45 and name  HB3) (resid   25 and name  HG2)
    or (resid   45 and name  HB3) (resid   25 and name  HG1)
    or (resid   45 and name  HB2) (resid   17 and name  HG1)
    or (resid   45 and name  HB1) (resid   17 and name  HG1)
    or (resid   45 and name  HB3) (resid   17 and name  HG1)
assign (resid   45 and name  HB2) (resid   14 and name   HA) 2.847 1.013 1.013 !13Cnoesy, no=728, id=619, vol=1.988500e+01
    or (resid   45 and name  HB1) (resid   14 and name   HA)
    or (resid   45 and name  HB3) (resid   14 and name   HA)
    or (resid   45 and name  HB2) (resid   16 and name   HA)
    or (resid   45 and name  HB1) (resid   16 and name   HA)
    or (resid   45 and name  HB3) (resid   16 and name   HA)
    or (resid   45 and name  HB2) (resid   41 and name   HA)
    or (resid   45 and name  HB1) (resid   41 and name   HA)
    or (resid   45 and name  HB3) (resid   41 and name   HA)
    or (resid   45 and name  HB2) (resid   42 and name   HA)
    or (resid   45 and name  HB1) (resid   42 and name   HA)
    or (resid   45 and name  HB3) (resid   42 and name   HA)
assign (resid   45 and name  HB2) (resid   14 and name  HB2) 2.882 1.038 1.038 !13Cnoesy, no=731, id=622, vol=1.988000e+01
    or (resid   45 and name  HB1) (resid   14 and name  HB2)
    or (resid   45 and name  HB3) (resid   14 and name  HB2)
    or (resid   45 and name  HB2) (resid   14 and name  HB1)
    or (resid   45 and name  HB1) (resid   14 and name  HB1)
    or (resid   45 and name  HB3) (resid   14 and name  HB1)
assign (resid   28 and name  HB2) (resid   45 and name  HB2) 2.345 0.688 0.888 !13Cnoesy, no=734, id=625, vol=1.989800e+01
    or (resid   28 and name  HB2) (resid   45 and name  HB1)
    or (resid   28 and name  HB2) (resid   45 and name  HB3)
    or (resid   44 and name  HB2) (resid   45 and name  HB2)
    or (resid   44 and name  HB2) (resid   45 and name  HB1)
    or (resid   44 and name  HB2) (resid   45 and name  HB3)
    or (resid   44 and name  HB1) (resid   45 and name  HB2)
    or (resid   44 and name  HB1) (resid   45 and name  HB1)
    or (resid   44 and name  HB1) (resid   45 and name  HB3)
    or (resid   44 and name  HB3) (resid   45 and name  HB2)
    or (resid   44 and name  HB3) (resid   45 and name  HB1)
    or (resid   44 and name  HB3) (resid   45 and name  HB3)
assign (resid   33 and name  HG2) (resid   33 and name  HB1) 2.538 0.805 0.805 !13Cnoesy, no=747, id=636, vol=2.564700e+01
    or (resid   33 and name  HG2) (resid   41 and name  HG2)
assign (resid   14 and name  HB1) (resid   23 and name HG22) 2.285 2.285 3.715 !13Cnoesy, no=758, id=646, vol=2.241900e+01
    or (resid   14 and name  HB1) (resid   23 and name HG21)
    or (resid   14 and name  HB1) (resid   23 and name HG23)
    or (resid   23 and name HG22) (resid   35 and name  HB2)
    or (resid   23 and name HG21) (resid   35 and name  HB2)
    or (resid   23 and name HG23) (resid   35 and name  HB2)
assign (resid   23 and name HG22) (resid   40 and name  HB1) 2.323 0.675 0.675 !13Cnoesy, no=759, id=647, vol=2.242100e+01
    or (resid   23 and name HG21) (resid   40 and name  HB1)
    or (resid   23 and name HG23) (resid   40 and name  HB1)
    or (resid   34 and name  HB2) (resid   23 and name HG22)
    or (resid   34 and name  HB2) (resid   23 and name HG21)
    or (resid   34 and name  HB2) (resid   23 and name HG23)
assign (resid   39 and name  HB2) (resid   23 and name HG22) 2.949 1.087 1.187 !13Cnoesy, no=761, id=649, vol=2.242400e+01
    or (resid   39 and name  HB2) (resid   23 and name HG21)
    or (resid   39 and name  HB2) (resid   23 and name HG23)
    or (resid   39 and name  HB1) (resid   23 and name HG22)
    or (resid   39 and name  HB1) (resid   23 and name HG21)
    or (resid   39 and name  HB1) (resid   23 and name HG23)
    or (resid   39 and name  HB3) (resid   23 and name HG22)
    or (resid   39 and name  HB3) (resid   23 and name HG21)
    or (resid   39 and name  HB3) (resid   23 and name HG23)
    or (resid   23 and name HG22) (resid   41 and name  HG2)
    or (resid   23 and name HG21) (resid   41 and name  HG2)
    or (resid   23 and name HG23) (resid   41 and name  HG2)
    or (resid   23 and name HG22) (resid   73 and name  HB2)
    or (resid   23 and name HG22) (resid   73 and name  HB1)
    or (resid   23 and name HG21) (resid   73 and name  HB2)
    or (resid   23 and name HG21) (resid   73 and name  HB1)
    or (resid   23 and name HG23) (resid   73 and name  HB2)
    or (resid   23 and name HG23) (resid   73 and name  HB1)
    or (resid   23 and name HG22) (resid    7 and name  HB1)
    or (resid   23 and name HG21) (resid    7 and name  HB1)
    or (resid   23 and name HG23) (resid    7 and name  HB1)
    or (resid   23 and name HG22) (resid   28 and name  HB1)
    or (resid   23 and name HG21) (resid   28 and name  HB1)
    or (resid   23 and name HG23) (resid   28 and name  HB1)
assign (resid   23 and name HG22) (resid    3 and name  HD2) 3.098 3.098 2.902 !13Cnoesy, no=762, id=650, vol=2.245700e+01
    or (resid   23 and name HG22) (resid    3 and name  HD1)
    or (resid   23 and name HG21) (resid    3 and name  HD2)
    or (resid   23 and name HG21) (resid    3 and name  HD1)
    or (resid   23 and name HG23) (resid    3 and name  HD2)
    or (resid   23 and name HG23) (resid    3 and name  HD1)
    or (resid   23 and name HG22) (resid   26 and name  HG2)
    or (resid   23 and name HG22) (resid   26 and name  HG1)
    or (resid   23 and name HG21) (resid   26 and name  HG2)
    or (resid   23 and name HG21) (resid   26 and name  HG1)
    or (resid   23 and name HG23) (resid   26 and name  HG2)
    or (resid   23 and name HG23) (resid   26 and name  HG1)
    or (resid   23 and name HG22) (resid   28 and name  HB2)
    or (resid   23 and name HG21) (resid   28 and name  HB2)
    or (resid   23 and name HG23) (resid   28 and name  HB2)
    or (resid   23 and name HG22) (resid   73 and name  HG2)
    or (resid   23 and name HG21) (resid   73 and name  HG2)
    or (resid   23 and name HG23) (resid   73 and name  HG2)
    or (resid   23 and name HG22) (resid   74 and name  HD1)
    or (resid   23 and name HG21) (resid   74 and name  HD1)
    or (resid   23 and name HG23) (resid   74 and name  HD1)
assign (resid   23 and name HG12) (resid   23 and name   HA) 2.328 0.677 0.677 !13Cnoesy, no=770, id=657, vol=2.054800e+01
    or (resid   23 and name HG11) (resid   23 and name   HA)
    or (resid   23 and name HG13) (resid   23 and name   HA)
    or (resid   23 and name HG12) (resid   15 and name   HA)
    or (resid   23 and name HG11) (resid   15 and name   HA)
    or (resid   23 and name HG13) (resid   15 and name   HA)
assign (resid   23 and name HG12) (resid   24 and name   HA) 3.410 1.454 1.454 !13Cnoesy, no=771, id=658, vol=2.059200e+01
    or (resid   23 and name HG11) (resid   24 and name   HA)
    or (resid   23 and name HG13) (resid   24 and name   HA)
    or (resid   23 and name HG12) (resid   33 and name   HA)
    or (resid   23 and name HG11) (resid   33 and name   HA)
    or (resid   23 and name HG13) (resid   33 and name   HA)
    or (resid   23 and name HG12) (resid   45 and name   HA)
    or (resid   23 and name HG11) (resid   45 and name   HA)
    or (resid   23 and name HG13) (resid   45 and name   HA)
assign (resid   23 and name HG12) (resid   17 and name  HD2) 2.891 1.045 1.045 !13Cnoesy, no=772, id=659, vol=2.056200e+01
    or (resid   23 and name HG11) (resid   17 and name  HD2)
    or (resid   23 and name HG13) (resid   17 and name  HD2)
    or (resid   23 and name HG12) (resid   25 and name   HA)
    or (resid   23 and name HG11) (resid   25 and name   HA)
    or (resid   23 and name HG13) (resid   25 and name   HA)
    or (resid   23 and name HG12) (resid   27 and name  HB1)
    or (resid   23 and name HG11) (resid   27 and name  HB1)
    or (resid   23 and name HG13) (resid   27 and name  HB1)
assign (resid   23 and name HG12) (resid   16 and name  HB1) 2.991 1.119 1.119 !13Cnoesy, no=773, id=660, vol=2.057100e+01
    or (resid   23 and name HG11) (resid   16 and name  HB1)
    or (resid   23 and name HG13) (resid   16 and name  HB1)
    or (resid   23 and name HG12) (resid   40 and name   HA)
    or (resid   23 and name HG11) (resid   40 and name   HA)
    or (resid   23 and name HG13) (resid   40 and name   HA)
assign (resid   14 and name  HB1) (resid   23 and name HG12) 2.197 0.603 0.603 !13Cnoesy, no=774, id=661, vol=2.055700e+01
    or (resid   14 and name  HB1) (resid   23 and name HG11)
    or (resid   14 and name  HB1) (resid   23 and name HG13)
    or (resid   23 and name HG12) (resid   34 and name  HB1)
    or (resid   23 and name HG11) (resid   34 and name  HB1)
    or (resid   23 and name HG13) (resid   34 and name  HB1)
    or (resid   23 and name HG12) (resid   35 and name  HB2)
    or (resid   23 and name HG11) (resid   35 and name  HB2)
    or (resid   23 and name HG13) (resid   35 and name  HB2)
assign (resid   23 and name HG12) (resid   28 and name   HG) 2.902 1.053 1.053 !13Cnoesy, no=777, id=664, vol=2.056100e+01
    or (resid   23 and name HG11) (resid   28 and name   HG)
    or (resid   23 and name HG13) (resid   28 and name   HG)
    or (resid   23 and name HG12) (resid   39 and name  HB2)
    or (resid   23 and name HG12) (resid   39 and name  HB1)
    or (resid   23 and name HG12) (resid   39 and name  HB3)
    or (resid   23 and name HG11) (resid   39 and name  HB2)
    or (resid   23 and name HG11) (resid   39 and name  HB1)
    or (resid   23 and name HG11) (resid   39 and name  HB3)
    or (resid   23 and name HG13) (resid   39 and name  HB2)
    or (resid   23 and name HG13) (resid   39 and name  HB1)
    or (resid   23 and name HG13) (resid   39 and name  HB3)
assign (resid   23 and name HG12) (resid    4 and name   HG) 3.278 1.343 1.343 !13Cnoesy, no=778, id=665, vol=2.056300e+01
    or (resid   23 and name HG11) (resid    4 and name   HG)
    or (resid   23 and name HG13) (resid    4 and name   HG)
    or (resid   23 and name HG12) (resid   28 and name  HB2)
    or (resid   23 and name HG11) (resid   28 and name  HB2)
    or (resid   23 and name HG13) (resid   28 and name  HB2)
    or (resid   23 and name HG12) (resid   36 and name  HB2)
    or (resid   23 and name HG12) (resid   36 and name  HB1)
    or (resid   23 and name HG12) (resid   36 and name  HB3)
    or (resid   23 and name HG11) (resid   36 and name  HB2)
    or (resid   23 and name HG11) (resid   36 and name  HB1)
    or (resid   23 and name HG11) (resid   36 and name  HB3)
    or (resid   23 and name HG13) (resid   36 and name  HB2)
    or (resid   23 and name HG13) (resid   36 and name  HB1)
    or (resid   23 and name HG13) (resid   36 and name  HB3)
    or (resid   23 and name HG12) (resid   44 and name  HB2)
    or (resid   23 and name HG12) (resid   44 and name  HB1)
    or (resid   23 and name HG12) (resid   44 and name  HB3)
    or (resid   23 and name HG11) (resid   44 and name  HB2)
    or (resid   23 and name HG11) (resid   44 and name  HB1)
    or (resid   23 and name HG11) (resid   44 and name  HB3)
    or (resid   23 and name HG13) (resid   44 and name  HB2)
    or (resid   23 and name HG13) (resid   44 and name  HB1)
    or (resid   23 and name HG13) (resid   44 and name  HB3)
assign (resid   21 and name HG22) (resid   27 and name  HZ3) 3.446 3.446 2.554 !13Cnoesy, no=781, id=667, vol=2.160600e+01
    or (resid   21 and name HG21) (resid   27 and name  HZ3)
    or (resid   21 and name HG23) (resid   27 and name  HZ3)
    or (resid   21 and name HG22) (resid   14 and name  HD1)
    or (resid   21 and name HG22) (resid   14 and name  HD2)
    or (resid   21 and name HG21) (resid   14 and name  HD1)
    or (resid   21 and name HG21) (resid   14 and name  HD2)
    or (resid   21 and name HG23) (resid   14 and name  HD1)
    or (resid   21 and name HG23) (resid   14 and name  HD2)
assign (resid   21 and name HG22) (resid   15 and name   HA) 2.632 0.866 0.866 !13Cnoesy, no=784, id=670, vol=2.160400e+01
    or (resid   21 and name HG21) (resid   15 and name   HA)
    or (resid   21 and name HG23) (resid   15 and name   HA)
    or (resid   21 and name HG22) (resid   16 and name   HA)
    or (resid   21 and name HG21) (resid   16 and name   HA)
    or (resid   21 and name HG23) (resid   16 and name   HA)
    or (resid   21 and name HG22) (resid   23 and name   HA)
    or (resid   21 and name HG21) (resid   23 and name   HA)
    or (resid   21 and name HG23) (resid   23 and name   HA)
    or (resid   66 and name HG22) (resid   47 and name   HA)
    or (resid   66 and name HG21) (resid   47 and name   HA)
    or (resid   66 and name HG23) (resid   47 and name   HA)
assign (resid   66 and name HG22) (resid   26 and name  HD2) 2.622 0.859 0.859 !13Cnoesy, no=787, id=673, vol=2.161300e+01
    or (resid   66 and name HG22) (resid   26 and name  HD1)
    or (resid   66 and name HG21) (resid   26 and name  HD2)
    or (resid   66 and name HG21) (resid   26 and name  HD1)
    or (resid   66 and name HG23) (resid   26 and name  HD2)
    or (resid   66 and name HG23) (resid   26 and name  HD1)
    or (resid   66 and name HG22) (resid   65 and name  HD2)
    or (resid   66 and name HG22) (resid   65 and name  HD1)
    or (resid   66 and name HG21) (resid   65 and name  HD2)
    or (resid   66 and name HG21) (resid   65 and name  HD1)
    or (resid   66 and name HG23) (resid   65 and name  HD2)
    or (resid   66 and name HG23) (resid   65 and name  HD1)
assign (resid   16 and name  HB2) (resid   21 and name HG22) 2.502 0.782 0.782 !13Cnoesy, no=788, id=674, vol=2.159800e+01
    or (resid   16 and name  HB2) (resid   21 and name HG21)
    or (resid   16 and name  HB2) (resid   21 and name HG23)
    or (resid   21 and name HG22) (resid   22 and name  HB1)
    or (resid   21 and name HG21) (resid   22 and name  HB1)
    or (resid   21 and name HG23) (resid   22 and name  HB1)
assign (resid   66 and name HG22) (resid   40 and name  HB2) 3.278 3.278 2.722 !13Cnoesy, no=789, id=675, vol=2.161500e+01
    or (resid   66 and name HG21) (resid   40 and name  HB2)
    or (resid   66 and name HG23) (resid   40 and name  HB2)
    or (resid   66 and name HG22) (resid   74 and name  HE2)
    or (resid   66 and name HG21) (resid   74 and name  HE2)
    or (resid   66 and name HG23) (resid   74 and name  HE2)
    or (resid   21 and name HG22) (resid   40 and name  HB2)
    or (resid   21 and name HG21) (resid   40 and name  HB2)
    or (resid   21 and name HG23) (resid   40 and name  HB2)
assign (resid   66 and name HG22) (resid   26 and name  HG2) 2.493 0.777 0.777 !13Cnoesy, no=793, id=679, vol=2.161000e+01
    or (resid   66 and name HG22) (resid   26 and name  HG1)
    or (resid   66 and name HG21) (resid   26 and name  HG2)
    or (resid   66 and name HG21) (resid   26 and name  HG1)
    or (resid   66 and name HG23) (resid   26 and name  HG2)
    or (resid   66 and name HG23) (resid   26 and name  HG1)
    or (resid   66 and name HG22) (resid   28 and name  HB2)
    or (resid   66 and name HG21) (resid   28 and name  HB2)
    or (resid   66 and name HG23) (resid   28 and name  HB2)
    or (resid   66 and name HG22) (resid   69 and name  HB2)
    or (resid   66 and name HG22) (resid   69 and name  HB1)
    or (resid   66 and name HG22) (resid   69 and name  HB3)
    or (resid   66 and name HG21) (resid   69 and name  HB2)
    or (resid   66 and name HG21) (resid   69 and name  HB1)
    or (resid   66 and name HG21) (resid   69 and name  HB3)
    or (resid   66 and name HG23) (resid   69 and name  HB2)
    or (resid   66 and name HG23) (resid   69 and name  HB1)
    or (resid   66 and name HG23) (resid   69 and name  HB3)
assign (resid   43 and name HG22) (resid   14 and name   HZ) 3.339 3.339 2.661 !13Cnoesy, no=794, id=680, vol=1.743000e+01
    or (resid   43 and name HG21) (resid   14 and name   HZ)
    or (resid   43 and name HG23) (resid   14 and name   HZ)
    or (resid   43 and name HG22) (resid   49 and name  HD1)
    or (resid   43 and name HG22) (resid   49 and name  HD2)
    or (resid   43 and name HG21) (resid   49 and name  HD1)
    or (resid   43 and name HG21) (resid   49 and name  HD2)
    or (resid   43 and name HG23) (resid   49 and name  HD1)
    or (resid   43 and name HG23) (resid   49 and name  HD2)
assign (resid   43 and name HG22) (resid   49 and name   HA) 3.205 1.284 1.684 !13Cnoesy, no=797, id=683, vol=1.744200e+01
    or (resid   43 and name HG21) (resid   49 and name   HA)
    or (resid   43 and name HG23) (resid   49 and name   HA)
    or (resid   43 and name HG22) (resid   51 and name   HA)
    or (resid   43 and name HG21) (resid   51 and name   HA)
    or (resid   43 and name HG23) (resid   51 and name   HA)
assign (resid   43 and name HG22) (resid   33 and name  HE2) 3.299 3.299 3.081 !13Cnoesy, no=800, id=686, vol=1.743700e+01
    or (resid   43 and name HG22) (resid   33 and name  HE1)
    or (resid   43 and name HG21) (resid   33 and name  HE2)
    or (resid   43 and name HG21) (resid   33 and name  HE1)
    or (resid   43 and name HG23) (resid   33 and name  HE2)
    or (resid   43 and name HG23) (resid   33 and name  HE1)
    or (resid   43 and name HG22) (resid   49 and name  HB2)
    or (resid   43 and name HG21) (resid   49 and name  HB2)
    or (resid   43 and name HG23) (resid   49 and name  HB2)
assign (resid   66 and name HG12) (resid   26 and name  HD2) 2.728 0.930 0.930 !13Cnoesy, no=807, id=692, vol=2.116200e+01
    or (resid   66 and name HG12) (resid   26 and name  HD1)
    or (resid   66 and name HG11) (resid   26 and name  HD2)
    or (resid   66 and name HG11) (resid   26 and name  HD1)
    or (resid   66 and name HG13) (resid   26 and name  HD2)
    or (resid   66 and name HG13) (resid   26 and name  HD1)
    or (resid   66 and name HG12) (resid   30 and name  HB2)
    or (resid   66 and name HG11) (resid   30 and name  HB2)
    or (resid   66 and name HG13) (resid   30 and name  HB2)
assign (resid   66 and name HG12) (resid   65 and name  HG1) 2.428 2.428 3.572 !13Cnoesy, no=809, id=694, vol=2.115500e+01
    or (resid   66 and name HG11) (resid   65 and name  HG1)
    or (resid   66 and name HG13) (resid   65 and name  HG1)
    or (resid   66 and name HG12) (resid   67 and name  HG2)
    or (resid   66 and name HG12) (resid   67 and name  HG1)
    or (resid   66 and name HG11) (resid   67 and name  HG2)
    or (resid   66 and name HG11) (resid   67 and name  HG1)
    or (resid   66 and name HG13) (resid   67 and name  HG2)
    or (resid   66 and name HG13) (resid   67 and name  HG1)
assign (resid   66 and name HG12) (resid   26 and name  HG2) 2.589 0.838 0.838 !13Cnoesy, no=810, id=695, vol=2.116800e+01
    or (resid   66 and name HG12) (resid   26 and name  HG1)
    or (resid   66 and name HG11) (resid   26 and name  HG2)
    or (resid   66 and name HG11) (resid   26 and name  HG1)
    or (resid   66 and name HG13) (resid   26 and name  HG2)
    or (resid   66 and name HG13) (resid   26 and name  HG1)
    or (resid   66 and name HG12) (resid   69 and name  HB2)
    or (resid   66 and name HG12) (resid   69 and name  HB1)
    or (resid   66 and name HG12) (resid   69 and name  HB3)
    or (resid   66 and name HG11) (resid   69 and name  HB2)
    or (resid   66 and name HG11) (resid   69 and name  HB1)
    or (resid   66 and name HG11) (resid   69 and name  HB3)
    or (resid   66 and name HG13) (resid   69 and name  HB2)
    or (resid   66 and name HG13) (resid   69 and name  HB1)
    or (resid   66 and name HG13) (resid   69 and name  HB3)
assign (resid   73 and name  HB2) (resid   72 and name HD22) 2.345 0.687 0.837 !13Cnoesy, no=814, id=698, vol=2.522400e+01
    or (resid   73 and name  HB2) (resid   72 and name HD21)
    or (resid   73 and name  HB2) (resid   72 and name HD23)
    or (resid   73 and name  HB1) (resid   72 and name HD22)
    or (resid   73 and name  HB1) (resid   72 and name HD21)
    or (resid   73 and name  HB1) (resid   72 and name HD23)
    or (resid   72 and name HD22) (resid   76 and name  HB2)
    or (resid   72 and name HD21) (resid   76 and name  HB2)
    or (resid   72 and name HD23) (resid   76 and name  HB2)
    or (resid   76 and name  HB1) (resid   72 and name HD22)
    or (resid   76 and name  HB1) (resid   72 and name HD21)
    or (resid   76 and name  HB1) (resid   72 and name HD23)
assign (resid    4 and name HD22) (resid   16 and name  HB2) 2.893 1.046 1.046 !13Cnoesy, no=816, id=700, vol=2.489100e+01
    or (resid    4 and name HD21) (resid   16 and name  HB2)
    or (resid    4 and name HD23) (resid   16 and name  HB2)
    or (resid    4 and name HD22) (resid   35 and name  HB2)
    or (resid    4 and name HD21) (resid   35 and name  HB2)
    or (resid    4 and name HD23) (resid   35 and name  HB2)
    or (resid   48 and name HD22) (resid   47 and name  HB1)
    or (resid   48 and name HD21) (resid   47 and name  HB1)
    or (resid   48 and name HD23) (resid   47 and name  HB1)
assign (resid   16 and name   HA) (resid    4 and name HD22) 3.023 3.023 2.977 !13Cnoesy, no=819, id=703, vol=2.490800e+01
    or (resid   16 and name   HA) (resid    4 and name HD21)
    or (resid   16 and name   HA) (resid    4 and name HD23)
    or (resid    4 and name HD22) (resid   19 and name   HA)
    or (resid    4 and name HD21) (resid   19 and name   HA)
    or (resid    4 and name HD23) (resid   19 and name   HA)
    or (resid    4 and name HD22) (resid   20 and name   HA)
    or (resid    4 and name HD21) (resid   20 and name   HA)
    or (resid    4 and name HD23) (resid   20 and name   HA)
    or (resid   48 and name HD22) (resid   41 and name   HA)
    or (resid   48 and name HD21) (resid   41 and name   HA)
    or (resid   48 and name HD23) (resid   41 and name   HA)
    or (resid   50 and name   HA) (resid   48 and name HD22)
    or (resid   50 and name   HA) (resid   48 and name HD21)
    or (resid   50 and name   HA) (resid   48 and name HD23)
assign (resid    4 and name HD22) (resid    2 and name   HA) 2.743 0.940 0.940 !13Cnoesy, no=820, id=704, vol=2.492300e+01
    or (resid    4 and name HD21) (resid    2 and name   HA)
    or (resid    4 and name HD23) (resid    2 and name   HA)
    or (resid   48 and name HD22) (resid   29 and name   HA)
    or (resid   48 and name HD21) (resid   29 and name   HA)
    or (resid   48 and name HD23) (resid   29 and name   HA)
    or (resid   49 and name   HA) (resid   48 and name HD22)
    or (resid   49 and name   HA) (resid   48 and name HD21)
    or (resid   49 and name   HA) (resid   48 and name HD23)
    or (resid   64 and name HD22) (resid   60 and name   HA)
    or (resid   64 and name HD21) (resid   60 and name   HA)
    or (resid   64 and name HD23) (resid   60 and name   HA)
    or (resid   71 and name   HA) (resid   75 and name HD22)
    or (resid   71 and name   HA) (resid   75 and name HD21)
    or (resid   71 and name   HA) (resid   75 and name HD23)
assign (resid   61 and name   HA) (resid   64 and name HD22) 1.832 0.419 0.419 !13Cnoesy, no=821, id=705, vol=2.490800e+01
    or (resid   61 and name   HA) (resid   64 and name HD21)
    or (resid   61 and name   HA) (resid   64 and name HD23)
    or (resid   68 and name HD22) (resid   68 and name   HA)
    or (resid   68 and name HD21) (resid   68 and name   HA)
    or (resid   68 and name HD23) (resid   68 and name   HA)
assign (resid    4 and name HD22) (resid    4 and name  HB2) 1.572 0.309 0.309 !13Cnoesy, no=823, id=707, vol=2.487900e+01
    or (resid    4 and name HD22) (resid    4 and name  HB1)
    or (resid    4 and name HD21) (resid    4 and name  HB2)
    or (resid    4 and name HD21) (resid    4 and name  HB1)
    or (resid    4 and name HD23) (resid    4 and name  HB2)
    or (resid    4 and name HD23) (resid    4 and name  HB1)
    or (resid   64 and name HD22) (resid   64 and name   HG)
    or (resid   64 and name HD21) (resid   64 and name   HG)
    or (resid   64 and name HD23) (resid   64 and name   HG)
    or (resid   68 and name HD22) (resid   68 and name   HG)
    or (resid   68 and name HD21) (resid   68 and name   HG)
    or (resid   68 and name HD23) (resid   68 and name   HG)
    or (resid   75 and name HD22) (resid   75 and name  HB2)
    or (resid   75 and name HD22) (resid   75 and name  HB1)
    or (resid   75 and name HD21) (resid   75 and name  HB2)
    or (resid   75 and name HD21) (resid   75 and name  HB1)
    or (resid   75 and name HD23) (resid   75 and name  HB2)
    or (resid   75 and name HD23) (resid   75 and name  HB1)
    or (resid   75 and name HD22) (resid   75 and name   HG)
    or (resid   75 and name HD21) (resid   75 and name   HG)
    or (resid   75 and name HD23) (resid   75 and name   HG)
assign (resid   68 and name HD22) (resid   71 and name  HE1) 2.891 2.891 3.109 !13Cnoesy, no=824, id=708, vol=2.503500e+01
    or (resid   68 and name HD21) (resid   71 and name  HE1)
    or (resid   68 and name HD23) (resid   71 and name  HE1)
    or (resid   72 and name HD22) (resid   71 and name  HE1)
    or (resid   72 and name HD21) (resid   71 and name  HE1)
    or (resid   72 and name HD23) (resid   71 and name  HE1)
assign (resid   48 and name HD22) (resid   58 and name  HB2) 2.672 0.893 0.893 !13Cnoesy, no=825, id=709, vol=2.493600e+01
    or (resid   48 and name HD21) (resid   58 and name  HB2)
    or (resid   48 and name HD23) (resid   58 and name  HB2)
    or (resid   48 and name HD22) (resid   66 and name   HA)
    or (resid   48 and name HD21) (resid   66 and name   HA)
    or (resid   48 and name HD23) (resid   66 and name   HA)
    or (resid   68 and name HD22) (resid   66 and name   HA)
    or (resid   68 and name HD21) (resid   66 and name   HA)
    or (resid   68 and name HD23) (resid   66 and name   HA)
    or (resid   75 and name HD22) (resid   70 and name  HB2)
    or (resid   75 and name HD21) (resid   70 and name  HB2)
    or (resid   75 and name HD23) (resid   70 and name  HB2)
    or (resid    4 and name HD22) (resid    2 and name  HB1)
    or (resid    4 and name HD21) (resid    2 and name  HB1)
    or (resid    4 and name HD23) (resid    2 and name  HB1)
    or (resid    4 and name HD22) (resid    6 and name  HA2)
    or (resid    4 and name HD22) (resid    6 and name  HA1)
    or (resid    4 and name HD21) (resid    6 and name  HA2)
    or (resid    4 and name HD21) (resid    6 and name  HA1)
    or (resid    4 and name HD23) (resid    6 and name  HA2)
    or (resid    4 and name HD23) (resid    6 and name  HA1)
    or (resid    4 and name HD22) (resid   17 and name  HD2)
    or (resid    4 and name HD21) (resid   17 and name  HD2)
    or (resid    4 and name HD23) (resid   17 and name  HD2)
    or (resid    4 and name HD22) (resid   27 and name  HB1)
    or (resid    4 and name HD21) (resid   27 and name  HB1)
    or (resid    4 and name HD23) (resid   27 and name  HB1)
assign (resid   48 and name  HB2) (resid   48 and name HD22) 1.654 0.342 0.342 !13Cnoesy, no=827, id=711, vol=2.495000e+01
    or (resid   48 and name  HB2) (resid   48 and name HD21)
    or (resid   48 and name  HB2) (resid   48 and name HD23)
    or (resid   48 and name  HB1) (resid   48 and name HD22)
    or (resid   48 and name  HB1) (resid   48 and name HD21)
    or (resid   48 and name  HB1) (resid   48 and name HD23)
    or (resid   48 and name   HG) (resid   48 and name HD22)
    or (resid   48 and name   HG) (resid   48 and name HD21)
    or (resid   48 and name   HG) (resid   48 and name HD23)
    or (resid   72 and name HD22) (resid   72 and name   HG)
    or (resid   72 and name HD21) (resid   72 and name   HG)
    or (resid   72 and name HD23) (resid   72 and name   HG)
assign (resid   43 and name HD12) (resid   42 and name   HA) 3.267 1.334 1.434 !13Cnoesy, no=829, id=713, vol=1.355800e+01
    or (resid   43 and name HD11) (resid   42 and name   HA)
    or (resid   43 and name HD13) (resid   42 and name   HA)
    or (resid   50 and name   HA) (resid   43 and name HD12)
    or (resid   50 and name   HA) (resid   43 and name HD11)
    or (resid   50 and name   HA) (resid   43 and name HD13)
assign (resid   51 and name  HB2) (resid   43 and name HD12) 3.162 3.162 2.838 !13Cnoesy, no=833, id=717, vol=1.352100e+01
    or (resid   51 and name  HB2) (resid   43 and name HD11)
    or (resid   51 and name  HB2) (resid   43 and name HD13)
    or (resid   43 and name HD12) (resid   51 and name  HB1)
    or (resid   43 and name HD11) (resid   51 and name  HB1)
    or (resid   43 and name HD13) (resid   51 and name  HB1)
    or (resid   56 and name  HB2) (resid   43 and name HD12)
    or (resid   56 and name  HB2) (resid   43 and name HD11)
    or (resid   56 and name  HB2) (resid   43 and name HD13)
    or (resid   43 and name HD12) (resid   58 and name  HB2)
    or (resid   43 and name HD11) (resid   58 and name  HB2)
    or (resid   43 and name HD13) (resid   58 and name  HB2)
assign (resid   43 and name HD12) (resid   47 and name  HB1) 3.023 1.142 1.142 !13Cnoesy, no=836, id=720, vol=1.354500e+01
    or (resid   43 and name HD11) (resid   47 and name  HB1)
    or (resid   43 and name HD13) (resid   47 and name  HB1)
    or (resid   49 and name  HB2) (resid   43 and name HD12)
    or (resid   49 and name  HB2) (resid   43 and name HD11)
    or (resid   49 and name  HB2) (resid   43 and name HD13)
assign (resid   64 and name   HA) (resid   64 and name HD12) 1.695 0.359 0.359 !13Cnoesy, no=842, id=725, vol=2.380600e+01
    or (resid   64 and name   HA) (resid   64 and name HD11)
    or (resid   64 and name   HA) (resid   64 and name HD13)
    or (resid   69 and name   HA) (resid   68 and name HD12)
    or (resid   69 and name   HA) (resid   68 and name HD11)
    or (resid   69 and name   HA) (resid   68 and name HD13)
    or (resid   75 and name HD12) (resid   75 and name   HA)
    or (resid   75 and name HD11) (resid   75 and name   HA)
    or (resid   75 and name HD13) (resid   75 and name   HA)
    or (resid   80 and name   HA) (resid   80 and name HD12)
    or (resid   80 and name   HA) (resid   80 and name HD11)
    or (resid   80 and name   HA) (resid   80 and name HD13)
assign (resid   62 and name  HG2) (resid   64 and name HD12) 2.937 1.078 1.178 !13Cnoesy, no=844, id=727, vol=2.385700e+01
    or (resid   62 and name  HG2) (resid   64 and name HD11)
    or (resid   62 and name  HG2) (resid   64 and name HD13)
    or (resid   62 and name  HG1) (resid   64 and name HD12)
    or (resid   62 and name  HG1) (resid   64 and name HD11)
    or (resid   62 and name  HG1) (resid   64 and name HD13)
    or (resid   63 and name  HG2) (resid   64 and name HD12)
    or (resid   63 and name  HG2) (resid   64 and name HD11)
    or (resid   63 and name  HG2) (resid   64 and name HD13)
    or (resid   64 and name HD12) (resid   63 and name  HG1)
    or (resid   64 and name HD11) (resid   63 and name  HG1)
    or (resid   64 and name HD13) (resid   63 and name  HG1)
assign (resid   64 and name HD12) (resid   62 and name  HB2) 2.631 0.865 0.865 !13Cnoesy, no=845, id=728, vol=2.383800e+01
    or (resid   64 and name HD12) (resid   62 and name  HB1)
    or (resid   64 and name HD11) (resid   62 and name  HB2)
    or (resid   64 and name HD11) (resid   62 and name  HB1)
    or (resid   64 and name HD13) (resid   62 and name  HB2)
    or (resid   64 and name HD13) (resid   62 and name  HB1)
    or (resid   64 and name HD12) (resid   63 and name  HB2)
    or (resid   64 and name HD12) (resid   63 and name  HB1)
    or (resid   64 and name HD11) (resid   63 and name  HB2)
    or (resid   64 and name HD11) (resid   63 and name  HB1)
    or (resid   64 and name HD13) (resid   63 and name  HB2)
    or (resid   64 and name HD13) (resid   63 and name  HB1)
assign (resid    4 and name HD12) (resid    9 and name   HA) 3.038 3.038 2.962 !13Cnoesy, no=848, id=731, vol=2.363300e+01
    or (resid    4 and name HD11) (resid    9 and name   HA)
    or (resid    4 and name HD13) (resid    9 and name   HA)
    or (resid    4 and name HD12) (resid   14 and name   HA)
    or (resid    4 and name HD11) (resid   14 and name   HA)
    or (resid    4 and name HD13) (resid   14 and name   HA)
    or (resid   16 and name   HA) (resid    4 and name HD12)
    or (resid   16 and name   HA) (resid    4 and name HD11)
    or (resid   16 and name   HA) (resid    4 and name HD13)
    or (resid    4 and name HD12) (resid   19 and name   HA)
    or (resid    4 and name HD11) (resid   19 and name   HA)
    or (resid    4 and name HD13) (resid   19 and name   HA)
    or (resid   30 and name   HA) (resid    4 and name HD12)
    or (resid   30 and name   HA) (resid    4 and name HD11)
    or (resid   30 and name   HA) (resid    4 and name HD13)
    or (resid    4 and name HD12) (resid   41 and name   HA)
    or (resid    4 and name HD11) (resid   41 and name   HA)
    or (resid    4 and name HD13) (resid   41 and name   HA)
    or (resid   48 and name HD12) (resid   41 and name   HA)
    or (resid   48 and name HD11) (resid   41 and name   HA)
    or (resid   48 and name HD13) (resid   41 and name   HA)
    or (resid   48 and name HD12) (resid   50 and name   HA)
    or (resid   48 and name HD11) (resid   50 and name   HA)
    or (resid   48 and name HD13) (resid   50 and name   HA)
    or (resid   30 and name   HA) (resid   64 and name HD12)
    or (resid   30 and name   HA) (resid   64 and name HD11)
    or (resid   30 and name   HA) (resid   64 and name HD13)
    or (resid   30 and name   HA) (resid   75 and name HD12)
    or (resid   30 and name   HA) (resid   75 and name HD11)
    or (resid   30 and name   HA) (resid   75 and name HD13)
assign (resid   67 and name  HD2) (resid   64 and name HD12) 2.170 0.589 0.689 !13Cnoesy, no=850, id=733, vol=2.378600e+01
    or (resid   67 and name  HD2) (resid   64 and name HD11)
    or (resid   67 and name  HD2) (resid   64 and name HD13)
    or (resid   67 and name  HD1) (resid   64 and name HD12)
    or (resid   67 and name  HD1) (resid   64 and name HD11)
    or (resid   67 and name  HD1) (resid   64 and name HD13)
    or (resid   71 and name  HB2) (resid   68 and name HD12)
    or (resid   71 and name  HB2) (resid   68 and name HD11)
    or (resid   71 and name  HB2) (resid   68 and name HD13)
    or (resid   71 and name  HB1) (resid   68 and name HD12)
    or (resid   71 and name  HB1) (resid   68 and name HD11)
    or (resid   71 and name  HB1) (resid   68 and name HD13)
    or (resid   71 and name  HB2) (resid   75 and name HD12)
    or (resid   71 and name  HB2) (resid   75 and name HD11)
    or (resid   71 and name  HB2) (resid   75 and name HD13)
    or (resid   71 and name  HB1) (resid   75 and name HD12)
    or (resid   71 and name  HB1) (resid   75 and name HD11)
    or (resid   71 and name  HB1) (resid   75 and name HD13)
assign (resid    4 and name HD12) (resid   34 and name  HB1) 2.863 1.025 1.025 !13Cnoesy, no=851, id=734, vol=2.362000e+01
    or (resid    4 and name HD11) (resid   34 and name  HB1)
    or (resid    4 and name HD13) (resid   34 and name  HB1)
    or (resid   48 and name HD12) (resid   47 and name  HB1)
    or (resid   48 and name HD11) (resid   47 and name  HB1)
    or (resid   48 and name HD13) (resid   47 and name  HB1)
assign (resid   68 and name HD12) (resid   68 and name  HB2) 1.491 0.278 0.278 !13Cnoesy, no=852, id=735, vol=2.377200e+01
    or (resid   68 and name HD12) (resid   68 and name  HB1)
    or (resid   68 and name HD11) (resid   68 and name  HB2)
    or (resid   68 and name HD11) (resid   68 and name  HB1)
    or (resid   68 and name HD13) (resid   68 and name  HB2)
    or (resid   68 and name HD13) (resid   68 and name  HB1)
    or (resid   68 and name HD12) (resid   68 and name   HG)
    or (resid   68 and name HD11) (resid   68 and name   HG)
    or (resid   68 and name HD13) (resid   68 and name   HG)
    or (resid   75 and name HD12) (resid   75 and name  HB2)
    or (resid   75 and name HD12) (resid   75 and name  HB1)
    or (resid   75 and name HD11) (resid   75 and name  HB2)
    or (resid   75 and name HD11) (resid   75 and name  HB1)
    or (resid   75 and name HD13) (resid   75 and name  HB2)
    or (resid   75 and name HD13) (resid   75 and name  HB1)
    or (resid   75 and name HD12) (resid   75 and name   HG)
    or (resid   75 and name HD11) (resid   75 and name   HG)
    or (resid   75 and name HD13) (resid   75 and name   HG)
    or (resid   64 and name HD12) (resid   64 and name   HG)
    or (resid   64 and name HD11) (resid   64 and name   HG)
    or (resid   64 and name HD13) (resid   64 and name   HG)
assign (resid    4 and name   HA) (resid    4 and name HD12) 1.817 0.413 0.413 !13Cnoesy, no=855, id=738, vol=2.352300e+01
    or (resid    4 and name   HA) (resid    4 and name HD11)
    or (resid    4 and name   HA) (resid    4 and name HD13)
    or (resid   48 and name HD12) (resid   48 and name   HA)
    or (resid   48 and name HD11) (resid   48 and name   HA)
    or (resid   48 and name HD13) (resid   48 and name   HA)
assign (resid   48 and name HD12) (resid   48 and name   HA) 1.776 0.394 0.394 !13Cnoesy, no=856, id=739, vol=2.360200e+01
    or (resid   48 and name HD11) (resid   48 and name   HA)
    or (resid   48 and name HD13) (resid   48 and name   HA)
    or (resid   69 and name   HA) (resid   68 and name HD12)
    or (resid   69 and name   HA) (resid   68 and name HD11)
    or (resid   69 and name   HA) (resid   68 and name HD13)
    or (resid   75 and name HD12) (resid   75 and name   HA)
    or (resid   75 and name HD11) (resid   75 and name   HA)
    or (resid   75 and name HD13) (resid   75 and name   HA)
assign (resid    4 and name HD12) (resid    4 and name   HG) 1.536 0.295 0.295 !13Cnoesy, no=859, id=742, vol=2.351000e+01
    or (resid    4 and name HD11) (resid    4 and name   HG)
    or (resid    4 and name HD13) (resid    4 and name   HG)
    or (resid   68 and name HD12) (resid   68 and name  HB2)
    or (resid   68 and name HD12) (resid   68 and name  HB1)
    or (resid   68 and name HD11) (resid   68 and name  HB2)
    or (resid   68 and name HD11) (resid   68 and name  HB1)
    or (resid   68 and name HD13) (resid   68 and name  HB2)
    or (resid   68 and name HD13) (resid   68 and name  HB1)
    or (resid   75 and name HD12) (resid   75 and name   HG)
    or (resid   75 and name HD11) (resid   75 and name   HG)
    or (resid   75 and name HD13) (resid   75 and name   HG)
    or (resid   79 and name HD12) (resid   79 and name   HG)
    or (resid   79 and name HD11) (resid   79 and name   HG)
    or (resid   79 and name HD13) (resid   79 and name   HG)
    or (resid   80 and name  HB2) (resid   80 and name HD12)
    or (resid   80 and name  HB2) (resid   80 and name HD11)
    or (resid   80 and name  HB2) (resid   80 and name HD13)
    or (resid   80 and name  HB1) (resid   80 and name HD12)
    or (resid   80 and name  HB1) (resid   80 and name HD11)
    or (resid   80 and name  HB1) (resid   80 and name HD13)
    or (resid   80 and name HD12) (resid   80 and name   HG)
    or (resid   80 and name HD11) (resid   80 and name   HG)
    or (resid   80 and name HD13) (resid   80 and name   HG)
assign (resid   28 and name HD22) (resid   14 and name   HA) 2.747 2.747 3.253 !13Cnoesy, no=861, id=744, vol=2.466500e+01
    or (resid   28 and name HD21) (resid   14 and name   HA)
    or (resid   28 and name HD23) (resid   14 and name   HA)
    or (resid   28 and name HD22) (resid   41 and name   HA)
    or (resid   28 and name HD21) (resid   41 and name   HA)
    or (resid   28 and name HD23) (resid   41 and name   HA)
assign (resid   28 and name HD22) (resid   26 and name   HA) 2.709 0.918 0.918 !13Cnoesy, no=863, id=746, vol=2.468400e+01
    or (resid   28 and name HD21) (resid   26 and name   HA)
    or (resid   28 and name HD23) (resid   26 and name   HA)
    or (resid   28 and name HD22) (resid   45 and name   HA)
    or (resid   28 and name HD21) (resid   45 and name   HA)
    or (resid   28 and name HD23) (resid   45 and name   HA)
assign (resid   28 and name HD22) (resid   40 and name   HA) 2.925 1.069 1.069 !13Cnoesy, no=865, id=748, vol=2.465800e+01
    or (resid   28 and name HD21) (resid   40 and name   HA)
    or (resid   28 and name HD23) (resid   40 and name   HA)
    or (resid   46 and name  HA2) (resid   28 and name HD22)
    or (resid   46 and name  HA2) (resid   28 and name HD21)
    or (resid   46 and name  HA2) (resid   28 and name HD23)
assign (resid   14 and name  HB2) (resid   28 and name HD22) 2.317 0.671 0.671 !13Cnoesy, no=866, id=749, vol=2.465400e+01
    or (resid   14 and name  HB2) (resid   28 and name HD21)
    or (resid   14 and name  HB2) (resid   28 and name HD23)
    or (resid   14 and name  HB1) (resid   28 and name HD22)
    or (resid   14 and name  HB1) (resid   28 and name HD21)
    or (resid   14 and name  HB1) (resid   28 and name HD23)
assign (resid   28 and name  HB1) (resid   28 and name HD22) 1.993 0.496 0.496 !13Cnoesy, no=868, id=751, vol=2.465100e+01
    or (resid   28 and name  HB1) (resid   28 and name HD21)
    or (resid   28 and name  HB1) (resid   28 and name HD23)
    or (resid   28 and name   HG) (resid   28 and name HD22)
    or (resid   28 and name   HG) (resid   28 and name HD21)
    or (resid   28 and name   HG) (resid   28 and name HD23)
assign (resid   28 and name HD12) (resid   41 and name   HA) 2.639 2.639 3.361 !13Cnoesy, no=882, id=763, vol=2.205400e+01
    or (resid   28 and name HD11) (resid   41 and name   HA)
    or (resid   28 and name HD13) (resid   41 and name   HA)
    or (resid   28 and name HD12) (resid   14 and name   HA)
    or (resid   28 and name HD11) (resid   14 and name   HA)
    or (resid   28 and name HD13) (resid   14 and name   HA)
    or (resid   28 and name HD12) (resid   16 and name   HA)
    or (resid   28 and name HD11) (resid   16 and name   HA)
    or (resid   28 and name HD13) (resid   16 and name   HA)
assign (resid   28 and name HD12) (resid   24 and name   HA) 2.814 0.989 0.989 !13Cnoesy, no=884, id=765, vol=2.206300e+01
    or (resid   28 and name HD11) (resid   24 and name   HA)
    or (resid   28 and name HD13) (resid   24 and name   HA)
    or (resid   28 and name HD12) (resid   26 and name   HA)
    or (resid   28 and name HD11) (resid   26 and name   HA)
    or (resid   28 and name HD13) (resid   26 and name   HA)
    or (resid   45 and name   HA) (resid   28 and name HD12)
    or (resid   45 and name   HA) (resid   28 and name HD11)
    or (resid   45 and name   HA) (resid   28 and name HD13)
assign (resid   28 and name  HB1) (resid   28 and name HD12) 2.061 0.531 0.531 !13Cnoesy, no=890, id=771, vol=2.207900e+01
    or (resid   28 and name  HB1) (resid   28 and name HD11)
    or (resid   28 and name  HB1) (resid   28 and name HD13)
    or (resid   28 and name   HG) (resid   28 and name HD12)
    or (resid   28 and name   HG) (resid   28 and name HD11)
    or (resid   28 and name   HG) (resid   28 and name HD13)
assign (resid   27 and name  HZ2) (resid    7 and name  HB1) 4.215 2.221 2.221 !13Cnoesy, no=895, id=775, vol=1.144010e+02
    or (resid   27 and name  HZ2) (resid   74 and name  HB2)
    or (resid   27 and name  HZ2) (resid   74 and name  HB1)
    or (resid   27 and name  HZ2) (resid   77 and name  HB1)
assign (resid   14 and name  HE1) (resid   14 and name  HB2) 3.969 1.969 1.969 !13Cnoesy, no=899, id=779, vol=1.309160e+02
    or (resid   14 and name  HE2) (resid   14 and name  HB2)
    or (resid   14 and name  HE1) (resid   14 and name  HB1)
    or (resid   14 and name  HE2) (resid   14 and name  HB1)
assign (resid   27 and name  HH2) (resid   23 and name HG22) 4.032 2.032 2.032 !13Cnoesy, no=901, id=781, vol=1.249870e+02
    or (resid   27 and name  HH2) (resid   23 and name HG21)
    or (resid   27 and name  HH2) (resid   23 and name HG23)
    or (resid   27 and name  HH2) (resid   24 and name  HG1)
    or (resid   27 and name  HH2) (resid   24 and name  HB2)
assign (resid   27 and name  HH2) (resid    7 and name  HB1) 4.055 2.056 2.056 !13Cnoesy, no=902, id=782, vol=1.250780e+02
    or (resid   27 and name  HH2) (resid   73 and name  HB2)
    or (resid   27 and name  HH2) (resid   73 and name  HB1)
    or (resid   27 and name  HH2) (resid   77 and name  HB1)
assign (resid   27 and name  HH2) (resid    3 and name  HD2) 3.912 1.913 1.913 !13Cnoesy, no=903, id=783, vol=1.249520e+02
    or (resid   27 and name  HH2) (resid    3 and name  HD1)
    or (resid   27 and name  HH2) (resid    4 and name  HB2)
    or (resid   27 and name  HH2) (resid    4 and name  HB1)
    or (resid   27 and name  HH2) (resid    4 and name   HG)
assign (resid   14 and name  HD1) (resid   17 and name  HG1) 3.716 1.726 1.726 !13Cnoesy, no=906, id=786, vol=1.321920e+02
    or (resid   14 and name  HD2) (resid   17 and name  HG1)
    or (resid   23 and name   HB) (resid   14 and name  HD1)
    or (resid   23 and name   HB) (resid   14 and name  HD2)
    or (resid   14 and name  HD1) (resid   25 and name  HG2)
    or (resid   14 and name  HD1) (resid   25 and name  HG1)
    or (resid   14 and name  HD2) (resid   25 and name  HG2)
    or (resid   14 and name  HD2) (resid   25 and name  HG1)
assign (resid   14 and name  HD1) (resid   28 and name   HG) 3.667 1.681 1.681 !13Cnoesy, no=907, id=787, vol=1.324810e+02
    or (resid   14 and name  HD2) (resid   28 and name   HG)
    or (resid   14 and name  HD1) (resid   39 and name  HB2)
    or (resid   14 and name  HD1) (resid   39 and name  HB1)
    or (resid   14 and name  HD1) (resid   39 and name  HB3)
    or (resid   14 and name  HD2) (resid   39 and name  HB2)
    or (resid   14 and name  HD2) (resid   39 and name  HB1)
    or (resid   14 and name  HD2) (resid   39 and name  HB3)
assign (resid   14 and name  HD1) (resid   17 and name  HD1) 3.783 1.789 1.789 !13Cnoesy, no=908, id=788, vol=1.324370e+02
    or (resid   14 and name  HD2) (resid   17 and name  HD1)
    or (resid   45 and name   HA) (resid   14 and name  HD1)
    or (resid   45 and name   HA) (resid   14 and name  HD2)
assign (resid   14 and name  HD1) (resid   17 and name  HD2) 4.104 2.105 2.105 !13Cnoesy, no=909, id=789, vol=1.322750e+02
    or (resid   14 and name  HD2) (resid   17 and name  HD2)
    or (resid   14 and name  HD1) (resid   25 and name   HA)
    or (resid   14 and name  HD2) (resid   25 and name   HA)
assign (resid   14 and name  HD1) (resid   44 and name  HB2) 4.130 2.132 2.132 !13Cnoesy, no=910, id=790, vol=1.324660e+02
    or (resid   14 and name  HD1) (resid   44 and name  HB1)
    or (resid   14 and name  HD1) (resid   44 and name  HB3)
    or (resid   14 and name  HD2) (resid   44 and name  HB2)
    or (resid   14 and name  HD2) (resid   44 and name  HB1)
    or (resid   14 and name  HD2) (resid   44 and name  HB3)
    or (resid   14 and name  HD1) (resid   28 and name  HB2)
    or (resid   14 and name  HD2) (resid   28 and name  HB2)
assign (resid   49 and name  HD1) (resid   57 and name  HA2) 3.783 1.789 1.789 !13Cnoesy, no=911, id=791, vol=1.332340e+02
    or (resid   49 and name  HD1) (resid   57 and name  HA1)
    or (resid   49 and name  HD2) (resid   57 and name  HA2)
    or (resid   49 and name  HD2) (resid   57 and name  HA1)
    or (resid   49 and name  HD1) (resid   58 and name  HB1)
    or (resid   49 and name  HD2) (resid   58 and name  HB1)
assign (resid   49 and name  HD1) (resid   41 and name  HG2) 3.755 1.763 1.763 !13Cnoesy, no=914, id=794, vol=1.330290e+02
    or (resid   49 and name  HD2) (resid   41 and name  HG2)
    or (resid   49 and name  HD1) (resid   43 and name   HB)
    or (resid   49 and name  HD2) (resid   43 and name   HB)
assign (resid   45 and name  HB2) (resid   49 and name  HD1) 4.185 2.189 2.189 !13Cnoesy, no=916, id=796, vol=1.332020e+02
    or (resid   45 and name  HB2) (resid   49 and name  HD2)
    or (resid   45 and name  HB1) (resid   49 and name  HD1)
    or (resid   45 and name  HB1) (resid   49 and name  HD2)
    or (resid   45 and name  HB3) (resid   49 and name  HD1)
    or (resid   45 and name  HB3) (resid   49 and name  HD2)
    or (resid   49 and name  HD1) (resid   52 and name HG21)
    or (resid   49 and name  HD1) (resid   52 and name HG22)
    or (resid   49 and name  HD1) (resid   52 and name HG23)
    or (resid   49 and name  HD2) (resid   52 and name HG21)
    or (resid   49 and name  HD2) (resid   52 and name HG22)
    or (resid   49 and name  HD2) (resid   52 and name HG23)
    or (resid   49 and name  HD1) (resid   61 and name HG21)
    or (resid   49 and name  HD1) (resid   61 and name HG22)
    or (resid   49 and name  HD1) (resid   61 and name HG23)
    or (resid   49 and name  HD2) (resid   61 and name HG21)
    or (resid   49 and name  HD2) (resid   61 and name HG22)
    or (resid   49 and name  HD2) (resid   61 and name HG23)
assign (resid   71 and name  HD2) (resid   69 and name  HB2) 3.679 1.692 1.992 !13Cnoesy, no=922, id=802, vol=1.191720e+02
    or (resid   71 and name  HD2) (resid   69 and name  HB1)
    or (resid   71 and name  HD2) (resid   69 and name  HB3)
    or (resid   71 and name  HD2) (resid   72 and name  HB2)
assign (resid   49 and name  HE1) (resid   45 and name  HB2) 4.032 2.032 2.032 !13Cnoesy, no=925, id=805, vol=1.180750e+02
    or (resid   49 and name  HE1) (resid   45 and name  HB1)
    or (resid   49 and name  HE1) (resid   45 and name  HB3)
    or (resid   49 and name  HE2) (resid   45 and name  HB2)
    or (resid   49 and name  HE2) (resid   45 and name  HB1)
    or (resid   49 and name  HE2) (resid   45 and name  HB3)
    or (resid   49 and name  HE1) (resid   52 and name HG21)
    or (resid   49 and name  HE1) (resid   52 and name HG22)
    or (resid   49 and name  HE1) (resid   52 and name HG23)
    or (resid   49 and name  HE2) (resid   52 and name HG21)
    or (resid   49 and name  HE2) (resid   52 and name HG22)
    or (resid   49 and name  HE2) (resid   52 and name HG23)
    or (resid   49 and name  HE1) (resid   61 and name HG21)
    or (resid   49 and name  HE1) (resid   61 and name HG22)
    or (resid   49 and name  HE1) (resid   61 and name HG23)
    or (resid   49 and name  HE2) (resid   61 and name HG21)
    or (resid   49 and name  HE2) (resid   61 and name HG22)
    or (resid   49 and name  HE2) (resid   61 and name HG23)
assign (resid   42 and name  HB1) (resid   38 and name  HA2) 4.185 2.189 2.189 !13Cnoesy, no=926, id=806, vol=6.766000e+01
    or (resid   42 and name  HB1) (resid   40 and name   HA)
assign (resid   52 and name   HB) (resid   49 and name  HB2) 4.391 2.410 2.610 !13Cnoesy, no=932, id=812, vol=6.955600e+01
    or (resid   61 and name   HB) (resid   47 and name  HB1)
    or (resid   61 and name   HB) (resid   49 and name  HB2)
assign (resid   24 and name   HA) (resid    9 and name  HB2) 4.130 2.132 2.132 !13Cnoesy, no=933, id=813, vol=6.256100e+01
    or (resid   24 and name   HA) (resid   22 and name  HB2)
assign (resid   19 and name HG21) (resid   17 and name   HA) 3.844 1.847 1.847 !13Cnoesy, no=938, id=818, vol=6.401100e+01
    or (resid   19 and name HG22) (resid   17 and name   HA)
    or (resid   19 and name HG23) (resid   17 and name   HA)
    or (resid   45 and name  HB2) (resid   17 and name   HA)
    or (resid   45 and name  HB1) (resid   17 and name   HA)
    or (resid   45 and name  HB3) (resid   17 and name   HA)
assign (resid    8 and name   HB) (resid    9 and name  HB2) 3.828 1.832 2.332 !13Cnoesy, no=941, id=821, vol=6.996100e+01
    or (resid    8 and name   HB) (resid   22 and name  HB2)
assign (resid   58 and name  HB1) (resid   65 and name  HD2) 4.130 2.132 2.132 !13Cnoesy, no=945, id=825, vol=6.399500e+01
    or (resid   58 and name  HB1) (resid   65 and name  HD1)
    or (resid   60 and name  HB1) (resid   67 and name  HD2)
    or (resid   60 and name  HB1) (resid   67 and name  HD1)
assign (resid   21 and name   HA) (resid   15 and name   HA) 3.844 1.847 1.847 !13Cnoesy, no=947, id=827, vol=6.305700e+01
    or (resid   21 and name   HA) (resid   20 and name   HA)
assign (resid   21 and name   HA) (resid   16 and name  HB2) 3.930 1.931 1.931 !13Cnoesy, no=949, id=829, vol=6.300000e+01
    or (resid   21 and name   HA) (resid   22 and name  HB1)
assign (resid   42 and name  HB2) (resid   33 and name  HE2) 4.055 2.056 2.056 !13Cnoesy, no=951, id=831, vol=6.756400e+01
    or (resid   42 and name  HB2) (resid   33 and name  HE1)
    or (resid   42 and name  HB2) (resid   35 and name  HB2)
    or (resid   42 and name  HB2) (resid   47 and name  HB1)
assign (resid   13 and name  HB2) (resid   23 and name   HB) 3.969 1.969 1.969 !13Cnoesy, no=961, id=840, vol=6.574900e+01
    or (resid   13 and name  HB1) (resid   23 and name   HB)
    or (resid   13 and name  HB2) (resid   25 and name  HG2)
    or (resid   13 and name  HB2) (resid   25 and name  HG1)
    or (resid   13 and name  HB1) (resid   25 and name  HG2)
    or (resid   13 and name  HB1) (resid   25 and name  HG1)
assign (resid   13 and name  HB2) (resid    4 and name HD22) 4.010 2.010 2.010 !13Cnoesy, no=962, id=841, vol=6.576200e+01
    or (resid   13 and name  HB2) (resid    4 and name HD21)
    or (resid   13 and name  HB2) (resid    4 and name HD23)
    or (resid   13 and name  HB1) (resid    4 and name HD22)
    or (resid   13 and name  HB1) (resid    4 and name HD21)
    or (resid   13 and name  HB1) (resid    4 and name HD23)
    or (resid   13 and name  HB2) (resid    4 and name HD12)
    or (resid   13 and name  HB2) (resid    4 and name HD11)
    or (resid   13 and name  HB2) (resid    4 and name HD13)
    or (resid   13 and name  HB1) (resid    4 and name HD12)
    or (resid   13 and name  HB1) (resid    4 and name HD11)
    or (resid   13 and name  HB1) (resid    4 and name HD13)
    or (resid   13 and name  HB2) (resid   28 and name HD22)
    or (resid   13 and name  HB2) (resid   28 and name HD21)
    or (resid   13 and name  HB2) (resid   28 and name HD23)
    or (resid   13 and name  HB1) (resid   28 and name HD22)
    or (resid   13 and name  HB1) (resid   28 and name HD21)
    or (resid   13 and name  HB1) (resid   28 and name HD23)
    or (resid   13 and name  HB2) (resid   72 and name HD22)
    or (resid   13 and name  HB2) (resid   72 and name HD21)
    or (resid   13 and name  HB2) (resid   72 and name HD23)
    or (resid   13 and name  HB1) (resid   72 and name HD22)
    or (resid   13 and name  HB1) (resid   72 and name HD21)
    or (resid   13 and name  HB1) (resid   72 and name HD23)
assign (resid   15 and name  HB2) (resid   17 and name  HD1) 4.246 2.254 2.254 !13Cnoesy, no=963, id=842, vol=6.331600e+01
    or (resid   17 and name   HA) (resid   15 and name  HB2)
assign (resid   20 and name  HB1) (resid   21 and name HG22) 4.032 2.032 2.032 !13Cnoesy, no=967, id=846, vol=2.960800e+01
    or (resid   20 and name  HB1) (resid   21 and name HG21)
    or (resid   20 and name  HB1) (resid   21 and name HG23)
    or (resid   20 and name  HB1) (resid   21 and name HG12)
    or (resid   20 and name  HB1) (resid   21 and name HG11)
    or (resid   20 and name  HB1) (resid   21 and name HG13)
assign (resid   70 and name  HB2) (resid   71 and name  HB2) 3.634 1.651 1.651 !13Cnoesy, no=968, id=847, vol=3.082000e+01
    or (resid   70 and name  HB1) (resid   71 and name  HB2)
    or (resid   70 and name  HB2) (resid   71 and name  HB1)
    or (resid   70 and name  HB1) (resid   71 and name  HB1)
assign (resid   71 and name  HB2) (resid   71 and name  HE1) 4.130 2.132 2.132 !13Cnoesy, no=969, id=848, vol=3.088100e+01
    or (resid   71 and name  HB1) (resid   71 and name  HE1)
assign (resid   20 and name  HB2) (resid   21 and name HG22) 4.215 2.221 2.221 !13Cnoesy, no=970, id=849, vol=2.944900e+01
    or (resid   20 and name  HB2) (resid   21 and name HG21)
    or (resid   20 and name  HB2) (resid   21 and name HG23)
    or (resid   20 and name  HB2) (resid   21 and name HG12)
    or (resid   20 and name  HB2) (resid   21 and name HG11)
    or (resid   20 and name  HB2) (resid   21 and name HG13)
assign (resid   27 and name  HB2) (resid   23 and name   HA) 3.783 1.789 1.789 !13Cnoesy, no=974, id=853, vol=2.808100e+01
    or (resid   27 and name  HB2) (resid   34 and name   HA)
assign (resid   27 and name  HB2) (resid   34 and name  HB2) 3.812 1.817 1.817 !13Cnoesy, no=975, id=854, vol=2.798800e+01
    or (resid   27 and name  HB2) (resid   40 and name  HB1)
assign (resid   11 and name  HB1) (resid   68 and name   HG) 4.279 2.289 2.939 !13Cnoesy, no=977, id=856, vol=3.212100e+01
    or (resid   11 and name  HB1) (resid   76 and name  HG2)
    or (resid   11 and name  HB1) (resid   78 and name  HG2)
    or (resid   11 and name  HB1) (resid   78 and name  HG1)
    or (resid   11 and name  HB1) (resid   79 and name  HB2)
    or (resid   11 and name  HB1) (resid   79 and name  HB1)
    or (resid   11 and name  HB1) (resid    7 and name  HD2)
    or (resid   11 and name  HB1) (resid    7 and name  HD1)
    or (resid   11 and name  HB1) (resid   68 and name  HB2)
    or (resid   11 and name  HB1) (resid   68 and name  HB1)
assign (resid   17 and name  HG1) (resid   16 and name  HB1) 3.949 1.949 1.949 !13Cnoesy, no=980, id=859, vol=2.759900e+01
    or (resid   17 and name  HG1) (resid   18 and name  HA2)
    or (resid   17 and name  HG1) (resid   35 and name  HB1)
    or (resid   17 and name  HG1) (resid   40 and name   HA)
assign (resid   66 and name   HB) (resid   26 and name  HD2) 3.742 1.750 1.750 !13Cnoesy, no=982, id=861, vol=3.233200e+01
    or (resid   66 and name   HB) (resid   26 and name  HD1)
    or (resid   66 and name   HB) (resid   65 and name  HD2)
    or (resid   66 and name   HB) (resid   65 and name  HD1)
    or (resid   66 and name   HB) (resid   67 and name  HD2)
    or (resid   66 and name   HB) (resid   67 and name  HD1)
assign (resid   17 and name  HB2) (resid   14 and name  HB2) 4.351 2.367 2.367 !13Cnoesy, no=984, id=863, vol=3.207300e+01
    or (resid   16 and name  HB2) (resid   17 and name  HB2)
    or (resid   17 and name  HB2) (resid   33 and name  HE2)
    or (resid   17 and name  HB2) (resid   33 and name  HE1)
assign (resid   25 and name  HB2) (resid   14 and name  HB2) 3.930 1.931 1.931 !13Cnoesy, no=990, id=869, vol=2.924400e+01
    or (resid   25 and name  HB2) (resid   14 and name  HB1)
assign (resid   33 and name  HB1) (resid   41 and name   HA) 3.812 3.812 2.188 !13Cnoesy, no=993, id=872, vol=3.043600e+01
    or (resid   30 and name   HA) (resid   65 and name  HB2)
    or (resid   30 and name   HA) (resid   65 and name  HB1)
    or (resid   65 and name  HB2) (resid   41 and name   HA)
    or (resid   65 and name  HB1) (resid   41 and name   HA)
    or (resid   30 and name   HA) (resid   67 and name  HB2)
    or (resid   30 and name   HA) (resid   67 and name  HB1)
    or (resid   73 and name  HB2) (resid    9 and name   HA)
    or (resid   73 and name  HB1) (resid    9 and name   HA)
    or (resid   73 and name  HB2) (resid   14 and name   HA)
    or (resid   73 and name  HB1) (resid   14 and name   HA)
    or (resid   30 and name   HA) (resid   73 and name  HB2)
    or (resid   30 and name   HA) (resid   73 and name  HB1)
assign (resid   28 and name HD22) (resid   26 and name  HB2) 3.969 1.969 1.969 !13Cnoesy, no=994, id=873, vol=2.948000e+01
    or (resid   28 and name HD21) (resid   26 and name  HB2)
    or (resid   28 and name HD23) (resid   26 and name  HB2)
    or (resid   26 and name  HB2) (resid   68 and name HD12)
    or (resid   26 and name  HB2) (resid   68 and name HD11)
    or (resid   26 and name  HB2) (resid   68 and name HD13)
    or (resid   26 and name  HB2) (resid   72 and name HD12)
    or (resid   26 and name  HB2) (resid   72 and name HD11)
    or (resid   26 and name  HB2) (resid   72 and name HD13)
    or (resid   26 and name  HB2) (resid   75 and name HD22)
    or (resid   26 and name  HB2) (resid   75 and name HD21)
    or (resid   26 and name  HB2) (resid   75 and name HD23)
    or (resid   26 and name  HB2) (resid   75 and name HD12)
    or (resid   26 and name  HB2) (resid   75 and name HD11)
    or (resid   26 and name  HB2) (resid   75 and name HD13)
assign (resid   28 and name   HG) (resid   14 and name  HB2) 3.828 1.832 1.832 !13Cnoesy, no=997, id=876, vol=2.674400e+01
    or (resid   28 and name   HG) (resid   14 and name  HB1)
assign (resid   65 and name  HG1) (resid   28 and name   HA) 4.185 2.189 2.189 !13Cnoesy, no=998, id=877, vol=2.740200e+01
    or (resid   65 and name  HG1) (resid   29 and name   HA)
    or (resid   65 and name  HG1) (resid   56 and name   HA)
    or (resid   73 and name  HG1) (resid   71 and name   HA)
    or (resid   76 and name  HG1) (resid   71 and name   HA)
assign (resid    4 and name   HG) (resid   27 and name  HD1) 3.877 3.877 2.323 !13Cnoesy, no=1005, id=884, vol=2.726300e+01
    or (resid   65 and name  HG2) (resid   49 and name  HE1)
    or (resid   65 and name  HG2) (resid   49 and name  HE2)
    or (resid   67 and name  HG2) (resid   27 and name  HD1)
    or (resid   67 and name  HG1) (resid   27 and name  HD1)
assign (resid   25 and name  HG2) (resid   65 and name  HG2) 4.157 2.160 2.160 !13Cnoesy, no=1006, id=885, vol=2.741800e+01
    or (resid   25 and name  HG1) (resid   65 and name  HG2)
    or (resid   62 and name  HG2) (resid   65 and name  HG2)
    or (resid   62 and name  HG1) (resid   65 and name  HG2)
    or (resid   65 and name  HG2) (resid   63 and name  HG1)
assign (resid    3 and name  HD2) (resid   27 and name  HZ3) 4.314 2.327 2.327 !13Cnoesy, no=1009, id=888, vol=2.900700e+01
    or (resid    3 and name  HD1) (resid   27 and name  HZ3)
    or (resid   77 and name  HD1) (resid   27 and name  HH2)
assign (resid   43 and name HG11) (resid   42 and name   HA) 3.783 3.783 2.317 !13Cnoesy, no=1010, id=889, vol=2.846800e+01
    or (resid   50 and name   HA) (resid   43 and name HG11)
assign (resid   44 and name  HB2) (resid   14 and name  HB1) 4.079 2.080 2.080 !13Cnoesy, no=1011, id=890, vol=1.809900e+01
    or (resid   44 and name  HB1) (resid   14 and name  HB1)
    or (resid   44 and name  HB3) (resid   14 and name  HB1)
    or (resid   44 and name  HB2) (resid   35 and name  HB2)
    or (resid   44 and name  HB1) (resid   35 and name  HB2)
    or (resid   44 and name  HB3) (resid   35 and name  HB2)
    or (resid   44 and name  HB2) (resid   47 and name  HB1)
    or (resid   44 and name  HB1) (resid   47 and name  HB1)
    or (resid   44 and name  HB3) (resid   47 and name  HB1)
assign (resid   26 and name  HG2) (resid   11 and name  HD2) 4.157 2.160 2.160 !13Cnoesy, no=1017, id=896, vol=2.714900e+01
    or (resid   26 and name  HG2) (resid   11 and name  HD1)
    or (resid   26 and name  HG1) (resid   11 and name  HD2)
    or (resid   26 and name  HG1) (resid   11 and name  HD1)
    or (resid   48 and name   HG) (resid   46 and name  HA2)
assign (resid   69 and name  HB2) (resid   28 and name   HA) 3.989 1.989 2.089 !13Cnoesy, no=1023, id=902, vol=1.849600e+01
    or (resid   69 and name  HB1) (resid   28 and name   HA)
    or (resid   69 and name  HB3) (resid   28 and name   HA)
    or (resid   69 and name  HB2) (resid   71 and name   HA)
    or (resid   69 and name  HB1) (resid   71 and name   HA)
    or (resid   69 and name  HB3) (resid   71 and name   HA)
assign (resid    7 and name  HG1) (resid   27 and name  HH2) 3.844 1.847 1.847 !13Cnoesy, no=1024, id=903, vol=2.499500e+01
    or (resid    7 and name  HG1) (resid   27 and name  HZ3)
    or (resid   77 and name  HG1) (resid   27 and name  HH2)
assign (resid    7 and name  HG1) (resid   73 and name  HD2) 3.703 1.714 1.714 !13Cnoesy, no=1025, id=904, vol=2.496600e+01
    or (resid    7 and name  HG1) (resid   73 and name  HD1)
    or (resid   77 and name  HG1) (resid   76 and name  HD2)
    or (resid   77 and name  HG1) (resid   76 and name  HD1)
    or (resid   77 and name  HG1) (resid   78 and name  HD2)
    or (resid   77 and name  HG1) (resid   78 and name  HD1)
assign (resid    3 and name  HG2) (resid   27 and name  HZ3) 3.912 1.913 1.913 !13Cnoesy, no=1027, id=906, vol=2.483600e+01
    or (resid    7 and name  HG2) (resid   27 and name  HH2)
    or (resid    7 and name  HG2) (resid   27 and name  HZ3)
assign (resid   43 and name HG12) (resid   42 and name   HA) 4.279 2.289 2.289 !13Cnoesy, no=1029, id=908, vol=2.855100e+01
    or (resid   43 and name HG12) (resid   50 and name   HA)
assign (resid   43 and name HG12) (resid   47 and name  HB1) 4.391 2.410 2.410 !13Cnoesy, no=1030, id=909, vol=2.842600e+01
    or (resid   43 and name HG12) (resid   49 and name  HB2)
assign (resid   24 and name  HB2) (resid   25 and name   HA) 3.894 1.895 1.895 !13Cnoesy, no=1031, id=910, vol=3.226500e+01
    or (resid   24 and name  HB2) (resid   27 and name  HB1)
assign (resid   27 and name  HH2) (resid   24 and name  HB2) 4.279 2.289 2.289 !13Cnoesy, no=1032, id=911, vol=3.213200e+01
    or (resid   24 and name  HB2) (resid   27 and name  HE3)
assign (resid   28 and name HD22) (resid   24 and name  HB2) 3.969 1.969 1.969 !13Cnoesy, no=1036, id=915, vol=3.220000e+01
    or (resid   28 and name HD21) (resid   24 and name  HB2)
    or (resid   28 and name HD23) (resid   24 and name  HB2)
    or (resid   24 and name  HB2) (resid   72 and name HD22)
    or (resid   24 and name  HB2) (resid   72 and name HD21)
    or (resid   24 and name  HB2) (resid   72 and name HD23)
    or (resid   24 and name  HB2) (resid    4 and name HD22)
    or (resid   24 and name  HB2) (resid    4 and name HD21)
    or (resid   24 and name  HB2) (resid    4 and name HD23)
    or (resid   24 and name  HB2) (resid    4 and name HD12)
    or (resid   24 and name  HB2) (resid    4 and name HD11)
    or (resid   24 and name  HB2) (resid    4 and name HD13)
assign (resid   27 and name  HH2) (resid    8 and name HG21) 3.860 3.860 2.540 !13Cnoesy, no=1038, id=917, vol=2.149300e+01
    or (resid   27 and name  HH2) (resid    8 and name HG22)
    or (resid   27 and name  HH2) (resid    8 and name HG23)
    or (resid    8 and name HG21) (resid   27 and name  HZ3)
    or (resid    8 and name HG22) (resid   27 and name  HZ3)
    or (resid    8 and name HG23) (resid   27 and name  HZ3)
assign (resid   24 and name  HG1) (resid    6 and name  HA2) 4.130 2.132 2.132 !13Cnoesy, no=1041, id=920, vol=2.669800e+01
    or (resid   24 and name  HG1) (resid    6 and name  HA1)
    or (resid   27 and name  HB1) (resid   24 and name  HG1)
assign (resid   23 and name   HB) (resid   24 and name  HG1) 3.844 3.844 2.156 !13Cnoesy, no=1044, id=923, vol=2.664900e+01
    or (resid   25 and name  HG2) (resid   24 and name  HG1)
    or (resid   25 and name  HG1) (resid   24 and name  HG1)
assign (resid    4 and name HD22) (resid   27 and name  HZ2) 3.798 1.803 2.403 !13Cnoesy, no=1053, id=932, vol=2.515100e+01
    or (resid    4 and name HD21) (resid   27 and name  HZ2)
    or (resid    4 and name HD23) (resid   27 and name  HZ2)
    or (resid   72 and name HD22) (resid   27 and name  HZ2)
    or (resid   72 and name HD21) (resid   27 and name  HZ2)
    or (resid   72 and name HD23) (resid   27 and name  HZ2)
assign (resid   24 and name  HG2) (resid   23 and name   HB) 4.215 2.221 2.221 !13Cnoesy, no=1058, id=937, vol=2.657300e+01
    or (resid   24 and name  HG2) (resid   25 and name  HG2)
    or (resid   24 and name  HG2) (resid   25 and name  HG1)
assign (resid   24 and name  HD1) (resid   27 and name  HH2) 3.949 1.949 1.949 !13Cnoesy, no=1063, id=942, vol=5.020900e+01
    or (resid   24 and name  HD1) (resid   27 and name  HZ3)
assign (resid   62 and name  HB2) (resid   60 and name   HA) 2.779 0.965 0.965 !13Cnoesy, no=1065, id=944, vol=5.824000e+01
    or (resid   62 and name  HB1) (resid   60 and name   HA)
    or (resid   63 and name  HB2) (resid   60 and name   HA)
    or (resid   63 and name  HB1) (resid   60 and name   HA)
assign (resid   60 and name   HA) (resid   64 and name  HB2) 3.424 1.466 1.466 !13Cnoesy, no=1066, id=945, vol=5.819500e+01
    or (resid   60 and name   HA) (resid   64 and name   HG)
assign (resid   64 and name HD22) (resid   60 and name   HA) 3.023 1.142 1.142 !13Cnoesy, no=1068, id=947, vol=5.821700e+01
    or (resid   64 and name HD21) (resid   60 and name   HA)
    or (resid   64 and name HD23) (resid   60 and name   HA)
    or (resid   64 and name HD12) (resid   60 and name   HA)
    or (resid   64 and name HD11) (resid   60 and name   HA)
    or (resid   64 and name HD13) (resid   60 and name   HA)
assign (resid   58 and name  HB2) (resid   58 and name   HA) 2.076 0.539 0.539 !13Cnoesy, no=1071, id=950, vol=5.822400e+01
    or (resid   60 and name  HB2) (resid   60 and name   HA)
assign (resid   51 and name  HB2) (resid   49 and name  HD1) 4.351 2.367 2.367 !13Cnoesy, no=1073, id=952, vol=6.377700e+01
    or (resid   51 and name  HB2) (resid   49 and name  HD2)
    or (resid   56 and name  HB2) (resid   49 and name  HD1)
    or (resid   56 and name  HB2) (resid   49 and name  HD2)
assign (resid   26 and name  HD2) (resid   69 and name   HA) 3.545 1.571 1.571 !13Cnoesy, no=1080, id=959, vol=5.393700e+01
    or (resid   26 and name  HD1) (resid   69 and name   HA)
    or (resid   71 and name  HB2) (resid   69 and name   HA)
    or (resid   71 and name  HB1) (resid   69 and name   HA)
assign (resid   69 and name   HA) (resid   66 and name   HA) 3.461 1.498 1.798 !13Cnoesy, no=1081, id=960, vol=5.388700e+01
    or (resid   70 and name  HB2) (resid   69 and name   HA)
assign (resid   26 and name  HD2) (resid   71 and name  HE1) 3.798 1.803 2.203 !13Cnoesy, no=1083, id=962, vol=4.336300e+01
    or (resid   26 and name  HD1) (resid   71 and name  HE1)
    or (resid   73 and name  HD2) (resid   71 and name  HE1)
    or (resid   73 and name  HD1) (resid   71 and name  HE1)
assign (resid   26 and name  HD2) (resid   28 and name HD12) 3.755 1.763 1.763 !13Cnoesy, no=1086, id=965, vol=4.335400e+01
    or (resid   26 and name  HD2) (resid   28 and name HD11)
    or (resid   26 and name  HD2) (resid   28 and name HD13)
    or (resid   26 and name  HD1) (resid   28 and name HD12)
    or (resid   26 and name  HD1) (resid   28 and name HD11)
    or (resid   26 and name  HD1) (resid   28 and name HD13)
    or (resid   65 and name  HD2) (resid   28 and name HD12)
    or (resid   65 and name  HD2) (resid   28 and name HD11)
    or (resid   65 and name  HD2) (resid   28 and name HD13)
    or (resid   65 and name  HD1) (resid   28 and name HD12)
    or (resid   65 and name  HD1) (resid   28 and name HD11)
    or (resid   65 and name  HD1) (resid   28 and name HD13)
assign (resid   35 and name   HA) (resid   21 and name   HB) 3.573 1.596 1.596 !13Cnoesy, no=1088, id=967, vol=5.224600e+01
    or (resid   39 and name  HB2) (resid   35 and name   HA)
    or (resid   39 and name  HB1) (resid   35 and name   HA)
    or (resid   39 and name  HB3) (resid   35 and name   HA)
assign (resid   35 and name   HA) (resid   16 and name   HA) 4.104 2.105 2.105 !13Cnoesy, no=1091, id=970, vol=5.223400e+01
    or (resid   35 and name   HA) (resid   23 and name   HA)
assign (resid   32 and name   HA) (resid   33 and name  HB1) 3.812 1.817 1.817 !13Cnoesy, no=1093, id=972, vol=5.209500e+01
    or (resid   32 and name   HA) (resid   41 and name  HG2)
assign (resid   32 and name   HA) (resid   33 and name  HE2) 4.433 2.456 2.456 !13Cnoesy, no=1096, id=975, vol=5.210000e+01
    or (resid   32 and name   HA) (resid   33 and name  HE1)
    or (resid   32 and name   HA) (resid   35 and name  HB2)
assign (resid   21 and name HG22) (resid   22 and name   HA) 3.322 1.379 1.379 !13Cnoesy, no=1100, id=978, vol=5.366300e+01
    or (resid   21 and name HG21) (resid   22 and name   HA)
    or (resid   21 and name HG23) (resid   22 and name   HA)
    or (resid   23 and name HG12) (resid   22 and name   HA)
    or (resid   23 and name HG11) (resid   22 and name   HA)
    or (resid   23 and name HG13) (resid   22 and name   HA)
assign (resid   22 and name   HA) (resid    7 and name  HB1) 4.579 2.620 2.620 !13Cnoesy, no=1102, id=980, vol=5.375600e+01
    or (resid   22 and name   HA) (resid   39 and name  HB2)
    or (resid   22 and name   HA) (resid   39 and name  HB1)
    or (resid   22 and name   HA) (resid   39 and name  HB3)
    or (resid   22 and name   HA) (resid   73 and name  HB2)
    or (resid   22 and name   HA) (resid   73 and name  HB1)
assign (resid   27 and name   HA) (resid   73 and name  HB2) 3.783 1.789 1.789 !13Cnoesy, no=1105, id=983, vol=5.413800e+01
    or (resid   27 and name   HA) (resid   73 and name  HB1)
    or (resid   26 and name  HB1) (resid   27 and name   HA)
    or (resid   27 and name   HA) (resid   28 and name  HB1)
assign (resid   26 and name  HG2) (resid   27 and name   HA) 3.667 1.681 1.681 !13Cnoesy, no=1106, id=984, vol=5.422000e+01
    or (resid   26 and name  HG1) (resid   27 and name   HA)
    or (resid   27 and name   HA) (resid   74 and name  HD1)
assign (resid    8 and name   HA) (resid    4 and name  HB2) 3.397 1.442 1.992 !13Cnoesy, no=1120, id=997, vol=6.176600e+01
    or (resid    8 and name   HA) (resid    4 and name  HB1)
    or (resid    8 and name   HA) (resid    4 and name   HG)
    or (resid    8 and name   HA) (resid    7 and name  HD2)
    or (resid    8 and name   HA) (resid    7 and name  HD1)
    or (resid    8 and name   HA) (resid   73 and name  HG2)
    or (resid   79 and name  HB2) (resid    8 and name   HA)
    or (resid   79 and name  HB1) (resid    8 and name   HA)
assign (resid    8 and name   HA) (resid    9 and name  HB1) 3.667 1.681 1.681 !13Cnoesy, no=1122, id=999, vol=6.174000e+01
    or (resid    8 and name   HA) (resid   73 and name  HD2)
    or (resid    8 and name   HA) (resid   73 and name  HD1)
assign (resid   15 and name  HB1) (resid   17 and name  HD1) 4.928 3.036 3.036 !13Cnoesy, no=1133, id=1006, vol=6.330900e+01
    or (resid   17 and name   HA) (resid   15 and name  HB1)
assign (resid   66 and name HG22) (resid   66 and name   HA) 1.996 0.498 0.498 !13Cnoesy, no=1136, id=1009, vol=6.414800e+01
    or (resid   66 and name HG21) (resid   66 and name   HA)
    or (resid   66 and name HG23) (resid   66 and name   HA)
    or (resid   66 and name HG12) (resid   66 and name   HA)
    or (resid   66 and name HG11) (resid   66 and name   HA)
    or (resid   66 and name HG13) (resid   66 and name   HA)
assign (resid   58 and name  HB2) (resid   48 and name  HB2) 2.433 0.740 0.740 !13Cnoesy, no=1138, id=1011, vol=6.416000e+01
    or (resid   58 and name  HB2) (resid   48 and name  HB1)
    or (resid   69 and name  HB2) (resid   66 and name   HA)
    or (resid   69 and name  HB1) (resid   66 and name   HA)
    or (resid   69 and name  HB3) (resid   66 and name   HA)
assign (resid   26 and name  HB1) (resid   66 and name   HA) 2.934 1.076 1.076 !13Cnoesy, no=1139, id=1012, vol=6.402300e+01
    or (resid   66 and name   HA) (resid   65 and name  HB2)
    or (resid   66 and name   HA) (resid   65 and name  HB1)
    or (resid   66 and name   HA) (resid   67 and name  HB2)
    or (resid   66 and name   HA) (resid   67 and name  HB1)
assign (resid   12 and name  HB2) (resid   66 and name HG12) 3.333 1.389 1.489 !13Cnoesy, no=1142, id=1014, vol=6.251800e+01
    or (resid   12 and name  HB2) (resid   66 and name HG11)
    or (resid   12 and name  HB2) (resid   66 and name HG13)
    or (resid   12 and name  HB1) (resid   66 and name HG12)
    or (resid   12 and name  HB1) (resid   66 and name HG11)
    or (resid   12 and name  HB1) (resid   66 and name HG13)
    or (resid   12 and name  HB2) (resid   68 and name HD22)
    or (resid   12 and name  HB2) (resid   68 and name HD21)
    or (resid   12 and name  HB2) (resid   68 and name HD23)
    or (resid   12 and name  HB1) (resid   68 and name HD22)
    or (resid   12 and name  HB1) (resid   68 and name HD21)
    or (resid   12 and name  HB1) (resid   68 and name HD23)
    or (resid   12 and name  HB2) (resid   72 and name HD22)
    or (resid   12 and name  HB2) (resid   72 and name HD21)
    or (resid   12 and name  HB2) (resid   72 and name HD23)
    or (resid   12 and name  HB1) (resid   72 and name HD22)
    or (resid   12 and name  HB1) (resid   72 and name HD21)
    or (resid   12 and name  HB1) (resid   72 and name HD23)
assign (resid   12 and name   HA) (resid   25 and name  HB1) 2.952 1.089 1.089 !13Cnoesy, no=1145, id=1016, vol=5.818700e+01
    or (resid   11 and name  HG2) (resid   12 and name   HA)
    or (resid   11 and name  HG1) (resid   12 and name   HA)
    or (resid   11 and name  HB2) (resid   12 and name   HA)
assign (resid   12 and name   HA) (resid   68 and name HD22) 3.656 3.656 2.344 !13Cnoesy, no=1148, id=1019, vol=5.821800e+01
    or (resid   12 and name   HA) (resid   68 and name HD21)
    or (resid   12 and name   HA) (resid   68 and name HD23)
    or (resid   12 and name   HA) (resid   68 and name HD12)
    or (resid   12 and name   HA) (resid   68 and name HD11)
    or (resid   12 and name   HA) (resid   68 and name HD13)
    or (resid   12 and name   HA) (resid   72 and name HD22)
    or (resid   12 and name   HA) (resid   72 and name HD21)
    or (resid   12 and name   HA) (resid   72 and name HD23)
    or (resid   12 and name   HA) (resid   72 and name HD12)
    or (resid   12 and name   HA) (resid   72 and name HD11)
    or (resid   12 and name   HA) (resid   72 and name HD13)
assign (resid   23 and name   HA) (resid    4 and name   HA) 3.583 1.604 1.604 !13Cnoesy, no=1149, id=1020, vol=5.780800e+01
    or (resid   24 and name   HA) (resid   23 and name   HA)
assign (resid   23 and name   HA) (resid    6 and name  HA2) 4.246 2.254 2.254 !13Cnoesy, no=1150, id=1021, vol=5.771800e+01
    or (resid   23 and name   HA) (resid    6 and name  HA1)
    or (resid   23 and name   HA) (resid   27 and name  HB1)
assign (resid   24 and name  HB2) (resid   13 and name   HA) 3.278 1.343 1.343 !13Cnoesy, no=1158, id=1028, vol=5.762400e+01
    or (resid   13 and name   HA) (resid   23 and name HG22)
    or (resid   13 and name   HA) (resid   23 and name HG21)
    or (resid   13 and name   HA) (resid   23 and name HG23)
    or (resid   13 and name   HA) (resid   24 and name  HG1)
assign (resid   42 and name   HA) (resid   39 and name  HB2) 3.064 1.173 1.173 !13Cnoesy, no=1165, id=1034, vol=5.737500e+01
    or (resid   42 and name   HA) (resid   39 and name  HB1)
    or (resid   42 and name   HA) (resid   39 and name  HB3)
    or (resid   42 and name   HA) (resid   43 and name   HB)
assign (resid   34 and name   HA) (resid    3 and name  HD2) 3.527 1.555 1.555 !13Cnoesy, no=1170, id=1038, vol=5.683700e+01
    or (resid   34 and name   HA) (resid    3 and name  HD1)
    or (resid   34 and name   HA) (resid    4 and name  HB2)
    or (resid   34 and name   HA) (resid    4 and name  HB1)
    or (resid   34 and name   HA) (resid    4 and name   HG)
assign (resid   34 and name   HA) (resid   33 and name  HB1) 3.294 1.356 1.756 !13Cnoesy, no=1171, id=1039, vol=5.682300e+01
    or (resid   34 and name   HA) (resid   41 and name  HG2)
assign (resid   23 and name   HB) (resid   34 and name   HA) 3.603 1.622 1.622 !13Cnoesy, no=1172, id=1040, vol=5.675700e+01
    or (resid   34 and name   HA) (resid   32 and name  HB2)
assign (resid   34 and name   HA) (resid    2 and name  HB2) 3.446 1.484 1.484 !13Cnoesy, no=1173, id=1041, vol=5.679300e+01
    or (resid   34 and name   HA) (resid    2 and name  HB1)
assign (resid   14 and name   HA) (resid   28 and name  HB1) 3.769 3.769 2.231 !13Cnoesy, no=1178, id=1045, vol=5.655300e+01
    or (resid   14 and name   HA) (resid   28 and name   HG)
    or (resid   39 and name  HB2) (resid   14 and name   HA)
    or (resid   39 and name  HB1) (resid   14 and name   HA)
    or (resid   39 and name  HB3) (resid   14 and name   HA)
assign (resid   14 and name   HA) (resid   23 and name   HB) 3.613 1.632 1.632 !13Cnoesy, no=1179, id=1046, vol=5.638500e+01
    or (resid   14 and name   HA) (resid   25 and name  HG2)
    or (resid   14 and name   HA) (resid   25 and name  HG1)
assign (resid   14 and name   HA) (resid   13 and name  HB2) 3.446 1.484 1.484 !13Cnoesy, no=1185, id=1052, vol=5.641500e+01
    or (resid   14 and name   HA) (resid   13 and name  HB1)
    or (resid   14 and name   HA) (resid   15 and name  HB2)
assign (resid   15 and name  HB2) (resid   15 and name   HA) 2.255 0.636 0.636 !13Cnoesy, no=1188, id=1054, vol=5.635800e+01
    or (resid   15 and name  HB1) (resid   15 and name   HA)
assign (resid   21 and name HG22) (resid   20 and name   HA) 3.603 1.622 1.622 !13Cnoesy, no=1197, id=1063, vol=5.595300e+01
    or (resid   21 and name HG21) (resid   20 and name   HA)
    or (resid   21 and name HG23) (resid   20 and name   HA)
    or (resid   20 and name   HA) (resid   21 and name HG12)
    or (resid   20 and name   HA) (resid   21 and name HG11)
    or (resid   20 and name   HA) (resid   21 and name HG13)
assign (resid   25 and name   HA) (resid   28 and name   HA) 3.755 1.763 1.763 !13Cnoesy, no=1200, id=1066, vol=5.513100e+01
    or (resid   27 and name  HB1) (resid   28 and name   HA)
assign (resid   28 and name  HB1) (resid   28 and name   HA) 2.639 0.870 0.870 !13Cnoesy, no=1202, id=1068, vol=5.521100e+01
    or (resid   28 and name   HG) (resid   28 and name   HA)
assign (resid   28 and name   HA) (resid   23 and name HG22) 3.146 1.237 1.237 !13Cnoesy, no=1204, id=1070, vol=5.515400e+01
    or (resid   28 and name   HA) (resid   23 and name HG21)
    or (resid   28 and name   HA) (resid   23 and name HG23)
    or (resid   45 and name  HB2) (resid   28 and name   HA)
    or (resid   45 and name  HB1) (resid   28 and name   HA)
    or (resid   45 and name  HB3) (resid   28 and name   HA)
assign (resid   28 and name   HA) (resid   17 and name  HD1) 4.104 2.105 2.255 !13Cnoesy, no=1207, id=1073, vol=5.524900e+01
    or (resid   28 and name   HA) (resid   31 and name  HA1)
    or (resid   28 and name   HA) (resid   44 and name   HA)
    or (resid   28 and name   HA) (resid   46 and name  HA1)
    or (resid   28 and name   HA) (resid   62 and name   HA)
    or (resid   28 and name   HA) (resid   63 and name   HA)
    or (resid   28 and name   HA) (resid   70 and name   HA)
assign (resid   29 and name   HA) (resid   47 and name  HB2) 3.192 1.273 1.273 !13Cnoesy, no=1211, id=1077, vol=5.440000e+01
    or (resid   29 and name   HA) (resid   41 and name  HG1)
assign (resid   28 and name HD22) (resid   29 and name   HA) 3.364 3.364 2.636 !13Cnoesy, no=1212, id=1078, vol=5.451700e+01
    or (resid   28 and name HD21) (resid   29 and name   HA)
    or (resid   28 and name HD23) (resid   29 and name   HA)
    or (resid   48 and name HD22) (resid   29 and name   HA)
    or (resid   48 and name HD21) (resid   29 and name   HA)
    or (resid   48 and name HD23) (resid   29 and name   HA)
    or (resid   29 and name   HA) (resid   48 and name HD12)
    or (resid   29 and name   HA) (resid   48 and name HD11)
    or (resid   29 and name   HA) (resid   48 and name HD13)
assign (resid    4 and name HD22) (resid    9 and name   HA) 4.215 2.221 2.671 !13Cnoesy, no=1221, id=1086, vol=5.448500e+01
    or (resid    4 and name HD21) (resid    9 and name   HA)
    or (resid    4 and name HD23) (resid    9 and name   HA)
    or (resid    9 and name   HA) (resid   72 and name HD22)
    or (resid    9 and name   HA) (resid   72 and name HD21)
    or (resid    9 and name   HA) (resid   72 and name HD23)
    or (resid    9 and name   HA) (resid   79 and name HD22)
    or (resid    9 and name   HA) (resid   79 and name HD21)
    or (resid    9 and name   HA) (resid   79 and name HD23)
    or (resid   79 and name HD12) (resid    9 and name   HA)
    or (resid   79 and name HD11) (resid    9 and name   HA)
    or (resid   79 and name HD13) (resid    9 and name   HA)
    or (resid   80 and name HD12) (resid    9 and name   HA)
    or (resid   80 and name HD11) (resid    9 and name   HA)
    or (resid   80 and name HD13) (resid    9 and name   HA)
assign (resid   41 and name   HA) (resid   28 and name   HA) 2.650 0.878 0.878 !13Cnoesy, no=1224, id=1088, vol=5.409100e+01
    or (resid   29 and name   HA) (resid   41 and name   HA)
assign (resid   41 and name   HA) (resid   33 and name   HA) 3.383 1.431 1.581 !13Cnoesy, no=1225, id=1089, vol=5.415200e+01
    or (resid   41 and name   HA) (resid   42 and name  HB1)
assign (resid   41 and name   HA) (resid   41 and name  HG1) 2.756 0.950 0.950 !13Cnoesy, no=1228, id=1092, vol=5.410000e+01
    or (resid   41 and name   HA) (resid   47 and name  HB2)
assign (resid   41 and name   HA) (resid   33 and name  HG2) 3.257 1.326 1.326 !13Cnoesy, no=1231, id=1095, vol=5.413800e+01
    or (resid   45 and name  HB2) (resid   41 and name   HA)
    or (resid   45 and name  HB1) (resid   41 and name   HA)
    or (resid   45 and name  HB3) (resid   41 and name   HA)
assign (resid   14 and name  HD1) (resid   41 and name   HA) 3.877 1.878 1.878 !13Cnoesy, no=1233, id=1097, vol=5.409200e+01
    or (resid   14 and name  HD2) (resid   41 and name   HA)
    or (resid   49 and name  HD1) (resid   41 and name   HA)
    or (resid   49 and name  HD2) (resid   41 and name   HA)
assign (resid    4 and name HD22) (resid   41 and name   HA) 3.613 3.613 2.487 !13Cnoesy, no=1234, id=1098, vol=5.413700e+01
    or (resid    4 and name HD21) (resid   41 and name   HA)
    or (resid    4 and name HD23) (resid   41 and name   HA)
    or (resid   43 and name HD12) (resid   41 and name   HA)
    or (resid   43 and name HD11) (resid   41 and name   HA)
    or (resid   43 and name HD13) (resid   41 and name   HA)
    or (resid   48 and name HD22) (resid   41 and name   HA)
    or (resid   48 and name HD21) (resid   41 and name   HA)
    or (resid   48 and name HD23) (resid   41 and name   HA)
assign (resid   47 and name   HA) (resid   28 and name  HB2) 3.101 1.202 1.202 !13Cnoesy, no=1241, id=1105, vol=5.247200e+01
    or (resid   47 and name   HA) (resid   48 and name  HB2)
    or (resid   47 and name   HA) (resid   48 and name  HB1)
assign (resid   47 and name   HA) (resid   46 and name  HA1) 3.029 3.029 2.971 !13Cnoesy, no=1243, id=1107, vol=5.253500e+01
    or (resid   47 and name   HA) (resid   62 and name   HA)
assign (resid   17 and name  HD2) (resid   16 and name  HB2) 3.328 1.384 1.384 !13Cnoesy, no=1249, id=1112, vol=5.135700e+01
    or (resid   17 and name  HD2) (resid   35 and name  HB2)
assign (resid   17 and name  HD1) (resid   35 and name  HB2) 3.358 1.409 1.409 !13Cnoesy, no=1250, id=1113, vol=5.134100e+01
    or (resid   17 and name  HD1) (resid   14 and name  HB1)
    or (resid   17 and name  HD1) (resid   16 and name  HB2)
assign (resid   17 and name  HG2) (resid   44 and name   HA) 3.424 1.466 1.466 !13Cnoesy, no=1251, id=1114, vol=5.464300e+01
    or (resid   44 and name   HA) (resid   39 and name  HB2)
    or (resid   44 and name   HA) (resid   39 and name  HB1)
    or (resid   44 and name   HA) (resid   39 and name  HB3)
    or (resid   44 and name   HA) (resid   43 and name   HB)
assign (resid   45 and name   HA) (resid   40 and name   HA) 4.215 2.221 2.221 !13Cnoesy, no=1255, id=1118, vol=5.489400e+01
    or (resid   40 and name   HA) (resid   17 and name  HD1)
assign (resid   40 and name   HA) (resid   28 and name  HB2) 3.518 1.547 1.547 !13Cnoesy, no=1256, id=1119, vol=5.488200e+01
    or (resid   44 and name  HB2) (resid   40 and name   HA)
    or (resid   44 and name  HB1) (resid   40 and name   HA)
    or (resid   44 and name  HB3) (resid   40 and name   HA)
assign (resid   48 and name   HA) (resid   47 and name  HB1) 3.769 1.776 1.776 !13Cnoesy, no=1261, id=1123, vol=5.508100e+01
    or (resid   48 and name   HA) (resid   49 and name  HB1)
assign (resid    4 and name   HA) (resid    5 and name  HG2) 3.716 1.726 1.726 !13Cnoesy, no=1263, id=1125, vol=5.512400e+01
    or (resid    4 and name   HA) (resid    5 and name  HG1)
    or (resid    4 and name   HA) (resid   23 and name   HB)
assign (resid    4 and name   HA) (resid    7 and name  HE2) 4.351 2.367 2.367 !13Cnoesy, no=1265, id=1127, vol=5.527300e+01
    or (resid    4 and name   HA) (resid    7 and name  HE1)
assign (resid   79 and name   HA) (resid   76 and name  HD2) 3.742 1.750 1.750 !13Cnoesy, no=1267, id=1129, vol=5.508600e+01
    or (resid   79 and name   HA) (resid   76 and name  HD1)
    or (resid   79 and name   HA) (resid   78 and name  HD2)
    or (resid   79 and name   HA) (resid   78 and name  HD1)
assign (resid   37 and name   HA) (resid   36 and name   HA) 3.912 1.913 1.913 !13Cnoesy, no=1268, id=1130, vol=5.564100e+01
    or (resid   37 and name   HA) (resid   39 and name   HA)
assign (resid   36 and name   HA) (resid   33 and name  HE2) 3.403 3.403 2.597 !13Cnoesy, no=1270, id=1132, vol=5.568300e+01
    or (resid   36 and name   HA) (resid   33 and name  HE1)
    or (resid   36 and name   HA) (resid   35 and name  HB2)
assign (resid   39 and name   HA) (resid   40 and name   HA) 3.798 1.803 1.803 !13Cnoesy, no=1273, id=1135, vol=5.578900e+01
    or (resid   36 and name   HA) (resid   35 and name  HB1)
    or (resid   39 and name   HA) (resid   35 and name  HB1)
    or (resid   39 and name   HA) (resid   38 and name  HA2)
assign (resid   75 and name HD22) (resid   75 and name   HA) 1.958 0.479 0.479 !13Cnoesy, no=1275, id=1137, vol=5.617200e+01
    or (resid   75 and name HD21) (resid   75 and name   HA)
    or (resid   75 and name HD23) (resid   75 and name   HA)
    or (resid   75 and name HD12) (resid   75 and name   HA)
    or (resid   75 and name HD11) (resid   75 and name   HA)
    or (resid   75 and name HD13) (resid   75 and name   HA)
    or (resid   68 and name HD22) (resid   68 and name   HA)
    or (resid   68 and name HD21) (resid   68 and name   HA)
    or (resid   68 and name HD23) (resid   68 and name   HA)
assign (resid   39 and name   HA) (resid   40 and name   HA) 3.493 1.525 1.525 !13Cnoesy, no=1279, id=1140, vol=5.593900e+01
    or (resid   39 and name   HA) (resid   35 and name  HB1)
    or (resid   39 and name   HA) (resid   38 and name  HA2)
assign (resid   72 and name   HA) (resid   71 and name  HB2) 3.469 1.504 1.504 !13Cnoesy, no=1284, id=1144, vol=5.641500e+01
    or (resid   72 and name   HA) (resid   71 and name  HB1)
    or (resid   72 and name   HA) (resid   73 and name  HD2)
    or (resid   72 and name   HA) (resid   73 and name  HD1)
assign (resid   72 and name   HA) (resid   72 and name HD22) 2.026 0.513 0.613 !13Cnoesy, no=1286, id=1146, vol=5.633500e+01
    or (resid   72 and name   HA) (resid   72 and name HD21)
    or (resid   72 and name   HA) (resid   72 and name HD23)
    or (resid   72 and name   HA) (resid   72 and name HD12)
    or (resid   72 and name   HA) (resid   72 and name HD11)
    or (resid   72 and name   HA) (resid   72 and name HD13)
assign (resid   72 and name   HA) (resid   72 and name  HB1) 2.292 0.657 0.657 !13Cnoesy, no=1287, id=1147, vol=5.641500e+01
    or (resid   72 and name   HA) (resid   75 and name  HB2)
    or (resid   72 and name   HA) (resid   75 and name  HB1)
assign (resid   75 and name HD22) (resid   75 and name   HA) 2.013 0.507 0.507 !13Cnoesy, no=1289, id=1149, vol=5.579300e+01
    or (resid   75 and name HD21) (resid   75 and name   HA)
    or (resid   75 and name HD23) (resid   75 and name   HA)
    or (resid   75 and name HD12) (resid   75 and name   HA)
    or (resid   75 and name HD11) (resid   75 and name   HA)
    or (resid   75 and name HD13) (resid   75 and name   HA)
assign (resid    7 and name   HA) (resid   72 and name HD22) 3.844 1.847 1.847 !13Cnoesy, no=1292, id=1152, vol=5.626500e+01
    or (resid    7 and name   HA) (resid   72 and name HD21)
    or (resid    7 and name   HA) (resid   72 and name HD23)
    or (resid    7 and name   HA) (resid   79 and name HD12)
    or (resid    7 and name   HA) (resid   79 and name HD11)
    or (resid    7 and name   HA) (resid   79 and name HD13)
    or (resid    7 and name   HA) (resid   80 and name HD12)
    or (resid    7 and name   HA) (resid   80 and name HD11)
    or (resid    7 and name   HA) (resid   80 and name HD13)
    or (resid    7 and name   HA) (resid    4 and name HD22)
    or (resid    7 and name   HA) (resid    4 and name HD21)
    or (resid    7 and name   HA) (resid    4 and name HD23)
    or (resid    7 and name   HA) (resid    4 and name HD12)
    or (resid    7 and name   HA) (resid    4 and name HD11)
    or (resid    7 and name   HA) (resid    4 and name HD13)
assign (resid    7 and name   HA) (resid   24 and name  HD1) 3.667 1.681 1.681 !13Cnoesy, no=1293, id=1153, vol=5.603900e+01
    or (resid    7 and name   HA) (resid   73 and name  HD2)
    or (resid    7 and name   HA) (resid   73 and name  HD1)
assign (resid   78 and name   HA) (resid   78 and name  HB2) 2.043 0.522 0.522 !13Cnoesy, no=1295, id=1155, vol=5.617200e+01
    or (resid   78 and name   HA) (resid   78 and name  HB1)
assign (resid   78 and name   HA) (resid   78 and name  HG2) 2.107 0.555 0.555 !13Cnoesy, no=1296, id=1156, vol=5.622300e+01
    or (resid   78 and name   HA) (resid   78 and name  HG1)
    or (resid    3 and name  HB2) (resid    3 and name   HA)
assign (resid   33 and name  HG1) (resid   33 and name   HA) 2.489 0.775 0.775 !13Cnoesy, no=1299, id=1159, vol=5.717900e+01
    or (resid   33 and name   HA) (resid   33 and name  HD2)
    or (resid   33 and name   HA) (resid   33 and name  HD1)
assign (resid   33 and name   HA) (resid   33 and name  HE2) 3.536 1.563 1.563 !13Cnoesy, no=1303, id=1163, vol=5.718700e+01
    or (resid   33 and name   HA) (resid   33 and name  HE1)
    or (resid   33 and name   HA) (resid   35 and name  HB2)
assign (resid   28 and name HD22) (resid   26 and name   HA) 3.377 1.425 1.425 !13Cnoesy, no=1309, id=1169, vol=5.745000e+01
    or (resid   28 and name HD21) (resid   26 and name   HA)
    or (resid   28 and name HD23) (resid   26 and name   HA)
    or (resid   48 and name HD22) (resid   26 and name   HA)
    or (resid   48 and name HD21) (resid   26 and name   HA)
    or (resid   48 and name HD23) (resid   26 and name   HA)
    or (resid   68 and name HD22) (resid   26 and name   HA)
    or (resid   68 and name HD21) (resid   26 and name   HA)
    or (resid   68 and name HD23) (resid   26 and name   HA)
    or (resid   68 and name HD12) (resid   26 and name   HA)
    or (resid   68 and name HD11) (resid   26 and name   HA)
    or (resid   68 and name HD13) (resid   26 and name   HA)
assign (resid    4 and name   HA) (resid   24 and name  HD1) 4.130 2.132 2.132 !13Cnoesy, no=1323, id=1181, vol=5.020200e+01
    or (resid   24 and name   HA) (resid   24 and name  HD1)
assign (resid   11 and name  HD2) (resid    7 and name  HB2) 4.314 2.327 2.327 !13Cnoesy, no=1325, id=1183, vol=4.972800e+01
    or (resid   11 and name  HD1) (resid    7 and name  HB2)
    or (resid   11 and name  HD2) (resid    7 and name  HD2)
    or (resid   11 and name  HD2) (resid    7 and name  HD1)
    or (resid   11 and name  HD1) (resid    7 and name  HD2)
    or (resid   11 and name  HD1) (resid    7 and name  HD1)
    or (resid   11 and name  HD2) (resid   79 and name  HB2)
    or (resid   11 and name  HD2) (resid   79 and name  HB1)
    or (resid   11 and name  HD1) (resid   79 and name  HB2)
    or (resid   11 and name  HD1) (resid   79 and name  HB1)
assign (resid   38 and name  HA1) (resid   33 and name  HE2) 3.322 1.379 1.379 !13Cnoesy, no=1329, id=1187, vol=4.606400e+01
    or (resid   38 and name  HA1) (resid   33 and name  HE1)
    or (resid   38 and name  HA1) (resid   35 and name  HB2)
assign (resid   46 and name  HA2) (resid   43 and name HG11) 3.116 1.213 1.213 !13Cnoesy, no=1335, id=1193, vol=4.470600e+01
    or (resid   44 and name  HB2) (resid   46 and name  HA2)
    or (resid   44 and name  HB1) (resid   46 and name  HA2)
    or (resid   44 and name  HB3) (resid   46 and name  HA2)
    or (resid   46 and name  HA2) (resid   48 and name  HB2)
    or (resid   46 and name  HA2) (resid   48 and name  HB1)
assign (resid   46 and name  HA1) (resid   28 and name HD22) 2.970 1.102 1.102 !13Cnoesy, no=1336, id=1194, vol=4.479500e+01
    or (resid   46 and name  HA1) (resid   28 and name HD21)
    or (resid   46 and name  HA1) (resid   28 and name HD23)
    or (resid   46 and name  HA1) (resid   43 and name HD12)
    or (resid   46 and name  HA1) (resid   43 and name HD11)
    or (resid   46 and name  HA1) (resid   43 and name HD13)
    or (resid   48 and name HD12) (resid   46 and name  HA1)
    or (resid   48 and name HD11) (resid   46 and name  HA1)
    or (resid   48 and name HD13) (resid   46 and name  HA1)
assign (resid   23 and name   HB) (resid   14 and name  HB1) 3.691 1.703 1.703 !13Cnoesy, no=1343, id=1199, vol=4.315800e+01
    or (resid   14 and name  HB1) (resid   25 and name  HG2)
    or (resid   14 and name  HB1) (resid   25 and name  HG1)
assign (resid   22 and name  HB2) (resid    9 and name   HA) 3.299 1.361 1.361 !13Cnoesy, no=1344, id=1200, vol=4.315700e+01
    or (resid   22 and name  HB2) (resid   15 and name   HA)
assign (resid   30 and name  HB2) (resid   74 and name  HG1) 3.592 1.613 1.613 !13Cnoesy, no=1348, id=1204, vol=4.188400e+01
    or (resid   30 and name  HB2) (resid   74 and name  HD2)
    or (resid   30 and name  HB2) (resid   74 and name  HD1)
assign (resid   48 and name  HB2) (resid   47 and name  HB1) 4.055 2.056 2.056 !13Cnoesy, no=1350, id=1206, vol=4.268700e+01
    or (resid   48 and name  HB1) (resid   47 and name  HB1)
    or (resid   48 and name  HB2) (resid   49 and name  HB2)
    or (resid   48 and name  HB1) (resid   49 and name  HB2)
assign (resid   71 and name  HB2) (resid   72 and name  HB2) 3.397 1.442 1.442 !13Cnoesy, no=1352, id=1208, vol=4.184900e+01
    or (resid   71 and name  HB1) (resid   72 and name  HB2)
    or (resid   72 and name  HB2) (resid   73 and name  HD2)
    or (resid   72 and name  HB2) (resid   73 and name  HD1)
assign (resid   19 and name   HA) (resid   21 and name   HB) 3.345 3.345 2.655 !13Cnoesy, no=1355, id=1210, vol=3.350200e+01
    or (resid   21 and name   HB) (resid   20 and name   HA)
assign (resid   23 and name   HB) (resid    2 and name  HB2) 3.294 1.356 1.356 !13Cnoesy, no=1358, id=1213, vol=3.403300e+01
    or (resid   27 and name  HB1) (resid   23 and name   HB)
assign (resid   47 and name  HB2) (resid   43 and name HD12) 3.603 1.622 1.622 !13Cnoesy, no=1360, id=1215, vol=3.421300e+01
    or (resid   47 and name  HB2) (resid   43 and name HD11)
    or (resid   47 and name  HB2) (resid   43 and name HD13)
    or (resid   47 and name  HB2) (resid   48 and name HD22)
    or (resid   47 and name  HB2) (resid   48 and name HD21)
    or (resid   47 and name  HB2) (resid   48 and name HD23)
assign (resid   48 and name HD22) (resid   47 and name  HB1) 3.536 1.563 1.563 !13Cnoesy, no=1361, id=1216, vol=3.419200e+01
    or (resid   48 and name HD21) (resid   47 and name  HB1)
    or (resid   48 and name HD23) (resid   47 and name  HB1)
    or (resid   43 and name HD12) (resid   47 and name  HB1)
    or (resid   43 and name HD11) (resid   47 and name  HB1)
    or (resid   43 and name HD13) (resid   47 and name  HB1)
assign (resid   47 and name  HB2) (resid   29 and name  HB1) 4.104 2.105 2.105 !13Cnoesy, no=1364, id=1219, vol=3.437200e+01
    or (resid   29 and name  HB1) (resid   66 and name   HB)
assign (resid   29 and name  HB2) (resid   28 and name HD22) 3.769 1.776 1.776 !13Cnoesy, no=1365, id=1220, vol=3.433300e+01
    or (resid   29 and name  HB2) (resid   28 and name HD21)
    or (resid   29 and name  HB2) (resid   28 and name HD23)
    or (resid   29 and name  HB2) (resid   48 and name HD22)
    or (resid   29 and name  HB2) (resid   48 and name HD21)
    or (resid   29 and name  HB2) (resid   48 and name HD23)
assign (resid   29 and name  HB2) (resid   28 and name  HB2) 4.032 2.032 2.032 !13Cnoesy, no=1366, id=1221, vol=3.419600e+01
    or (resid   29 and name  HB2) (resid   65 and name  HG2)
assign (resid   29 and name  HB1) (resid   28 and name  HB2) 4.579 2.620 2.620 !13Cnoesy, no=1367, id=1222, vol=3.438200e+01
    or (resid   29 and name  HB1) (resid   65 and name  HG2)
assign (resid   29 and name  HB1) (resid   28 and name HD22) 4.433 2.456 2.456 !13Cnoesy, no=1368, id=1223, vol=3.436000e+01
    or (resid   29 and name  HB1) (resid   28 and name HD21)
    or (resid   29 and name  HB1) (resid   28 and name HD23)
    or (resid   29 and name  HB1) (resid   48 and name HD22)
    or (resid   29 and name  HB1) (resid   48 and name HD21)
    or (resid   29 and name  HB1) (resid   48 and name HD23)
assign (resid   29 and name  HB1) (resid   30 and name   HA) 3.461 1.498 1.498 !13Cnoesy, no=1369, id=1224, vol=3.438700e+01
    or (resid   29 and name  HB1) (resid   41 and name   HA)
    or (resid   29 and name  HB1) (resid   47 and name   HA)
assign (resid   24 and name  HB1) (resid    9 and name   HA) 3.613 1.632 1.632 !13Cnoesy, no=1376, id=1230, vol=3.224700e+01
    or (resid   23 and name   HA) (resid   24 and name  HB1)
assign (resid   17 and name  HD1) (resid   16 and name  HB2) 3.860 1.862 1.862 !13Cnoesy, no=1387, id=1240, vol=3.607700e+01
    or (resid   17 and name   HA) (resid   16 and name  HB2)
assign (resid   41 and name  HG1) (resid   33 and name  HG1) 3.116 1.213 1.213 !13Cnoesy, no=1393, id=1246, vol=3.683500e+01
    or (resid   41 and name  HB2) (resid   41 and name  HG1)
assign (resid    5 and name  HG2) (resid   27 and name  HZ3) 4.055 2.056 2.056 !13Cnoesy, no=1397, id=1250, vol=3.647800e+01
    or (resid    5 and name  HG1) (resid   27 and name  HZ3)
    or (resid   14 and name  HD1) (resid   25 and name  HG2)
    or (resid   14 and name  HD1) (resid   25 and name  HG1)
    or (resid   14 and name  HD2) (resid   25 and name  HG2)
    or (resid   14 and name  HD2) (resid   25 and name  HG1)
assign (resid   35 and name  HB1) (resid   19 and name HG21) 3.656 1.671 1.671 !13Cnoesy, no=1398, id=1251, vol=3.792300e+01
    or (resid   35 and name  HB1) (resid   19 and name HG22)
    or (resid   35 and name  HB1) (resid   19 and name HG23)
    or (resid   35 and name  HB1) (resid   23 and name HG22)
    or (resid   35 and name  HB1) (resid   23 and name HG21)
    or (resid   35 and name  HB1) (resid   23 and name HG23)
assign (resid   23 and name HG22) (resid   35 and name  HB2) 3.755 1.763 1.763 !13Cnoesy, no=1399, id=1252, vol=3.790900e+01
    or (resid   23 and name HG21) (resid   35 and name  HB2)
    or (resid   23 and name HG23) (resid   35 and name  HB2)
    or (resid   33 and name  HG2) (resid   35 and name  HB2)
assign (resid   35 and name  HB2) (resid   16 and name   HA) 3.798 1.803 1.803 !13Cnoesy, no=1400, id=1253, vol=3.792600e+01
    or (resid   41 and name   HA) (resid   35 and name  HB2)
assign (resid   36 and name   HA) (resid   35 and name  HB1) 3.812 1.817 1.817 !13Cnoesy, no=1402, id=1255, vol=3.799000e+01
    or (resid   39 and name   HA) (resid   35 and name  HB1)
assign (resid   42 and name  HB1) (resid   43 and name   HB) 3.328 1.384 1.384 !13Cnoesy, no=1404, id=1257, vol=3.808100e+01
    or (resid   43 and name   HB) (resid   48 and name   HA)
assign (resid   49 and name  HB2) (resid   48 and name   HA) 3.844 1.847 1.847 !13Cnoesy, no=1406, id=1259, vol=3.883700e+01
    or (resid   52 and name   HB) (resid   49 and name  HB2)
assign (resid   49 and name  HB2) (resid   57 and name  HA2) 4.391 2.410 2.410 !13Cnoesy, no=1407, id=1260, vol=3.892300e+01
    or (resid   49 and name  HB2) (resid   57 and name  HA1)
    or (resid   49 and name  HB2) (resid   58 and name  HB1)
assign (resid   49 and name  HB1) (resid   57 and name  HA2) 4.055 2.056 2.056 !13Cnoesy, no=1408, id=1261, vol=3.880300e+01
    or (resid   49 and name  HB1) (resid   57 and name  HA1)
    or (resid   49 and name  HB1) (resid   58 and name  HB1)
assign (resid   50 and name  HB2) (resid   42 and name  HB2) 4.157 2.160 2.160 !13Cnoesy, no=1415, id=1268, vol=3.892400e+01
    or (resid   50 and name  HB2) (resid   51 and name  HB1)
assign (resid   50 and name  HB2) (resid   49 and name   HA) 4.032 2.032 2.032 !13Cnoesy, no=1416, id=1269, vol=3.878600e+01
    or (resid   51 and name   HA) (resid   50 and name  HB2)
assign (resid   12 and name   HA) (resid   25 and name  HB1) 3.310 1.370 1.370 !13Cnoesy, no=1429, id=1281, vol=2.922700e+01
    or (resid   24 and name   HA) (resid   25 and name  HB1)
assign (resid   28 and name  HB2) (resid   25 and name   HA) 3.310 1.370 1.370 !13Cnoesy, no=1432, id=1284, vol=4.030700e+01
    or (resid   28 and name  HB2) (resid   27 and name  HB1)
assign (resid   68 and name HD12) (resid   71 and name  HE1) 2.817 0.992 1.042 !13Cnoesy, no=1433, id=1285, vol=1.387740e+02
    or (resid   68 and name HD11) (resid   71 and name  HE1)
    or (resid   68 and name HD13) (resid   71 and name  HE1)
    or (resid   72 and name HD22) (resid   71 and name  HE1)
    or (resid   72 and name HD21) (resid   71 and name  HE1)
    or (resid   72 and name HD23) (resid   71 and name  HE1)
    or (resid   71 and name  HE1) (resid   72 and name HD12)
    or (resid   71 and name  HE1) (resid   72 and name HD11)
    or (resid   71 and name  HE1) (resid   72 and name HD13)
assign (resid   71 and name  HE1) (resid   73 and name  HB2) 4.579 2.620 2.620 !13Cnoesy, no=1434, id=1286, vol=1.387740e+02
    or (resid   71 and name  HE1) (resid   73 and name  HB1)
    or (resid   71 and name  HE1) (resid   26 and name  HB1)
assign (resid   69 and name  HB2) (resid   71 and name  HE1) 3.397 1.442 2.642 !13Cnoesy, no=1435, id=1287, vol=1.387740e+02
    or (resid   69 and name  HB1) (resid   71 and name  HE1)
    or (resid   69 and name  HB3) (resid   71 and name  HE1)
    or (resid   71 and name  HE1) (resid   72 and name  HB2)
assign (resid   26 and name  HD2) (resid   71 and name  HE1) 4.130 2.132 2.132 !13Cnoesy, no=1436, id=1288, vol=1.387740e+02
    or (resid   26 and name  HD1) (resid   71 and name  HE1)
    or (resid   71 and name  HB2) (resid   71 and name  HE1)
    or (resid   71 and name  HB1) (resid   71 and name  HE1)
    or (resid   73 and name  HD2) (resid   71 and name  HE1)
    or (resid   73 and name  HD1) (resid   71 and name  HE1)
assign (resid   14 and name  HE1) (resid   17 and name  HB1) 4.478 2.506 2.506 !13Cnoesy, no=1442, id=1293, vol=1.309600e+02
    or (resid   14 and name  HE2) (resid   17 and name  HB1)
    or (resid   14 and name  HE1) (resid   23 and name   HB)
    or (resid   14 and name  HE2) (resid   23 and name   HB)
assign (resid   14 and name   HZ) (resid   46 and name  HA2) 4.843 2.931 2.931 !13Cnoesy, no=1443, id=1294, vol=1.291760e+02
    or (resid   14 and name   HZ) (resid   16 and name  HB1)
    or (resid   14 and name   HZ) (resid   18 and name  HA2)
assign (resid   14 and name   HZ) (resid   14 and name  HB1) 5.026 3.158 3.158 !13Cnoesy, no=1444, id=1295, vol=1.291830e+02
    or (resid   14 and name   HZ) (resid   16 and name  HB2)
    or (resid   14 and name   HZ) (resid   35 and name  HB2)
assign (resid   27 and name  HH2) (resid   77 and name   HA) 4.478 2.506 2.506 !13Cnoesy, no=1447, id=1298, vol=1.250270e+02
    or (resid   27 and name  HH2) (resid    3 and name   HA)
    or (resid   27 and name  HH2) (resid    5 and name   HA)
assign (resid   26 and name  HD2) (resid   27 and name  HD1) 3.563 1.587 1.587 !13Cnoesy, no=1449, id=1300, vol=1.231630e+02
    or (resid   26 and name  HD1) (resid   27 and name  HD1)
    or (resid   27 and name  HD1) (resid   30 and name  HB2)
assign (resid   26 and name  HG2) (resid   27 and name  HD1) 3.310 1.370 1.370 !13Cnoesy, no=1451, id=1302, vol=1.231630e+02
    or (resid   26 and name  HG1) (resid   27 and name  HD1)
    or (resid   27 and name  HD1) (resid   74 and name  HD1)
assign (resid   68 and name   HA) (resid   71 and name  HD2) 3.592 1.613 1.613 !13Cnoesy, no=1454, id=1305, vol=1.192200e+02
    or (resid   71 and name  HD2) (resid   69 and name   HA)
assign (resid   27 and name  HZ2) (resid    4 and name   HA) 4.351 2.367 2.367 !13Cnoesy, no=1455, id=1306, vol=1.144560e+02
    or (resid   27 and name  HZ2) (resid   24 and name   HA)
    or (resid   27 and name  HZ2) (resid   77 and name   HA)
assign (resid   72 and name HD22) (resid   27 and name  HZ2) 4.433 2.456 2.456 !13Cnoesy, no=1456, id=1307, vol=1.145170e+02
    or (resid   72 and name HD21) (resid   27 and name  HZ2)
    or (resid   72 and name HD23) (resid   27 and name  HZ2)
    or (resid    4 and name HD22) (resid   27 and name  HZ2)
    or (resid    4 and name HD21) (resid   27 and name  HZ2)
    or (resid    4 and name HD23) (resid   27 and name  HZ2)
    or (resid   27 and name  HZ2) (resid    4 and name HD12)
    or (resid   27 and name  HZ2) (resid    4 and name HD11)
    or (resid   27 and name  HZ2) (resid    4 and name HD13)
assign (resid   27 and name  HZ2) (resid    7 and name  HG2) 4.391 2.410 2.410 !13Cnoesy, no=1457, id=1308, vol=1.145000e+02
    or (resid   74 and name  HG2) (resid   27 and name  HZ2)
assign (resid   27 and name  HZ2) (resid    7 and name  HD2) 4.279 2.289 2.289 !13Cnoesy, no=1458, id=1309, vol=1.144960e+02
    or (resid   27 and name  HZ2) (resid    7 and name  HD1)
    or (resid   27 and name  HZ2) (resid   73 and name  HG2)
assign (resid   27 and name  HZ2) (resid    7 and name  HE2) 5.026 3.158 3.158 !13Cnoesy, no=1460, id=1311, vol=1.145800e+02
    or (resid   27 and name  HZ2) (resid    7 and name  HE1)
assign (resid   27 and name  HH2) (resid   73 and name  HD2) 4.526 2.561 2.561 !13Cnoesy, no=1463, id=1314, vol=1.247860e+02
    or (resid   27 and name  HH2) (resid   73 and name  HD1)
    or (resid   24 and name  HD1) (resid   27 and name  HH2)
assign (resid    9 and name   HA) (resid    8 and name   HA) 3.716 1.726 1.726 !13Cnoesy, no=1466, id=1317, vol=5.460900e+01
    or (resid   24 and name   HA) (resid    9 and name   HA)
assign (resid   24 and name   HA) (resid   27 and name  HB1) 3.656 1.671 1.671 !13Cnoesy, no=1467, id=1318, vol=6.258200e+01
    or (resid   25 and name   HA) (resid   24 and name   HA)
assign (resid   11 and name  HD2) (resid    8 and name HG21) 2.520 0.794 0.794 !13Cnoesy, no=1471, id=1322, vol=2.117500e+01
    or (resid   11 and name  HD2) (resid    8 and name HG22)
    or (resid   11 and name  HD2) (resid    8 and name HG23)
    or (resid   11 and name  HD1) (resid    8 and name HG21)
    or (resid   11 and name  HD1) (resid    8 and name HG22)
    or (resid   11 and name  HD1) (resid    8 and name HG23)
    or (resid   18 and name  HA2) (resid   19 and name HG21)
    or (resid   18 and name  HA2) (resid   19 and name HG22)
    or (resid   18 and name  HA2) (resid   19 and name HG23)
assign (resid   14 and name  HD1) (resid   23 and name HG22) 2.488 0.774 0.874 !13Cnoesy, no=1477, id=1328, vol=2.241800e+01
    or (resid   14 and name  HD1) (resid   23 and name HG21)
    or (resid   14 and name  HD1) (resid   23 and name HG23)
    or (resid   14 and name  HD2) (resid   23 and name HG22)
    or (resid   14 and name  HD2) (resid   23 and name HG21)
    or (resid   14 and name  HD2) (resid   23 and name HG23)
    or (resid   23 and name HG22) (resid   27 and name  HZ3)
    or (resid   23 and name HG21) (resid   27 and name  HZ3)
    or (resid   23 and name HG23) (resid   27 and name  HZ3)
assign (resid   71 and name  HB2) (resid   71 and name   HA) 2.016 0.508 0.508 !13Cnoesy, no=1480, id=1331, vol=5.822900e+01
    or (resid   71 and name  HB1) (resid   71 and name   HA)
assign (resid   23 and name   HA) (resid   27 and name  HE3) 4.928 3.036 3.036 !13Cnoesy, no=1483, id=1334, vol=1.211200e+02
    or (resid   34 and name   HA) (resid   27 and name  HE3)
assign (resid   27 and name  HH2) (resid    3 and name   HA) 3.769 1.776 2.076 !13Cnoesy, no=1486, id=1337, vol=5.637700e+01
    or (resid    3 and name   HA) (resid   27 and name  HZ3)
assign (resid    7 and name  HE1) (resid    7 and name  HD2) 1.897 0.450 0.450 !13Cnoesy, no=1490, id=1341, vol=4.166000e+01
    or (resid    7 and name  HE1) (resid    7 and name  HD1)
    or (resid   33 and name  HD2) (resid   33 and name  HE2)
    or (resid   33 and name  HD2) (resid   33 and name  HE1)
    or (resid   33 and name  HD1) (resid   33 and name  HE2)
    or (resid   33 and name  HD1) (resid   33 and name  HE1)
assign (resid    7 and name  HE1) (resid    7 and name  HB1) 2.465 0.759 0.759 !13Cnoesy, no=1491, id=1342, vol=4.165200e+01
    or (resid   33 and name  HE2) (resid   33 and name  HB1)
    or (resid   33 and name  HE1) (resid   33 and name  HB1)
assign (resid    4 and name   HA) (resid    7 and name  HE1) 2.947 1.085 1.085 !13Cnoesy, no=1495, id=1345, vol=4.165600e+01
    or (resid    7 and name  HE1) (resid    7 and name   HA)
    or (resid   33 and name   HA) (resid   33 and name  HE2)
    or (resid   33 and name   HA) (resid   33 and name  HE1)
assign (resid   33 and name  HE2) (resid   41 and name   HA) 3.812 1.817 2.317 !13Cnoesy, no=1496, id=1346, vol=4.162700e+01
    or (resid   33 and name  HE1) (resid   41 and name   HA)
    or (resid   42 and name   HA) (resid   33 and name  HE2)
    or (resid   42 and name   HA) (resid   33 and name  HE1)
    or (resid   33 and name  HE2) (resid   50 and name   HA)
    or (resid   33 and name  HE1) (resid   50 and name   HA)
assign (resid    4 and name HD22) (resid    7 and name  HE1) 3.716 1.726 1.726 !13Cnoesy, no=1497, id=1347, vol=4.165200e+01
    or (resid    4 and name HD21) (resid    7 and name  HE1)
    or (resid    4 and name HD23) (resid    7 and name  HE1)
    or (resid    4 and name HD12) (resid    7 and name  HE1)
    or (resid    4 and name HD11) (resid    7 and name  HE1)
    or (resid    4 and name HD13) (resid    7 and name  HE1)
    or (resid    7 and name  HE1) (resid   72 and name HD22)
    or (resid    7 and name  HE1) (resid   72 and name HD21)
    or (resid    7 and name  HE1) (resid   72 and name HD23)
    or (resid    4 and name HD22) (resid   33 and name  HE2)
    or (resid    4 and name HD22) (resid   33 and name  HE1)
    or (resid    4 and name HD21) (resid   33 and name  HE2)
    or (resid    4 and name HD21) (resid   33 and name  HE1)
    or (resid    4 and name HD23) (resid   33 and name  HE2)
    or (resid    4 and name HD23) (resid   33 and name  HE1)
    or (resid    4 and name HD12) (resid   33 and name  HE2)
    or (resid    4 and name HD12) (resid   33 and name  HE1)
    or (resid    4 and name HD11) (resid   33 and name  HE2)
    or (resid    4 and name HD11) (resid   33 and name  HE1)
    or (resid    4 and name HD13) (resid   33 and name  HE2)
    or (resid    4 and name HD13) (resid   33 and name  HE1)
assign (resid   37 and name  HB2) (resid   17 and name  HG2) 4.391 2.410 2.410 !13Cnoesy, no=1498, id=1348, vol=4.066000e+01
    or (resid   37 and name  HB2) (resid   17 and name  HB2)
assign (resid   37 and name  HB2) (resid   36 and name   HA) 4.351 2.367 2.367 !13Cnoesy, no=1500, id=1350, vol=4.059700e+01
    or (resid   37 and name  HB2) (resid   39 and name   HA)
assign (resid   40 and name  HB1) (resid   26 and name   HA) 4.246 2.254 2.254 !13Cnoesy, no=1501, id=1351, vol=4.066100e+01
    or (resid   40 and name  HB1) (resid   45 and name   HA)
    or (resid   40 and name  HB1) (resid   17 and name  HD1)
    or (resid   24 and name   HA) (resid   40 and name  HB1)
assign (resid   39 and name  HB2) (resid   40 and name  HB2) 3.989 1.989 1.989 !13Cnoesy, no=1503, id=1353, vol=4.062500e+01
    or (resid   39 and name  HB1) (resid   40 and name  HB2)
    or (resid   39 and name  HB3) (resid   40 and name  HB2)
    or (resid   40 and name  HB2) (resid   41 and name  HG2)
assign (resid   40 and name  HB1) (resid   28 and name  HB1) 3.812 1.817 1.817 !13Cnoesy, no=1504, id=1354, vol=4.071100e+01
    or (resid   40 and name  HB1) (resid   28 and name   HG)
assign (resid   23 and name HG22) (resid   40 and name  HB1) 3.305 1.365 1.365 !13Cnoesy, no=1505, id=1355, vol=4.062700e+01
    or (resid   23 and name HG21) (resid   40 and name  HB1)
    or (resid   23 and name HG23) (resid   40 and name  HB1)
    or (resid   23 and name HG12) (resid   40 and name  HB1)
    or (resid   23 and name HG11) (resid   40 and name  HB1)
    or (resid   23 and name HG13) (resid   40 and name  HB1)
assign (resid   74 and name  HE2) (resid    4 and name HD22) 3.554 1.579 1.579 !13Cnoesy, no=1510, id=1359, vol=4.132300e+01
    or (resid   74 and name  HE2) (resid    4 and name HD21)
    or (resid   74 and name  HE2) (resid    4 and name HD23)
    or (resid   74 and name  HE2) (resid    4 and name HD12)
    or (resid   74 and name  HE2) (resid    4 and name HD11)
    or (resid   74 and name  HE2) (resid    4 and name HD13)
    or (resid   77 and name  HE1) (resid    4 and name HD12)
    or (resid   77 and name  HE1) (resid    4 and name HD11)
    or (resid   77 and name  HE1) (resid    4 and name HD13)
    or (resid   77 and name  HE1) (resid   72 and name HD22)
    or (resid   77 and name  HE1) (resid   72 and name HD21)
    or (resid   77 and name  HE1) (resid   72 and name HD23)
    or (resid   77 and name  HE1) (resid   79 and name HD12)
    or (resid   77 and name  HE1) (resid   79 and name HD11)
    or (resid   77 and name  HE1) (resid   79 and name HD13)
    or (resid   77 and name  HE1) (resid   80 and name HD22)
    or (resid   77 and name  HE1) (resid   80 and name HD21)
    or (resid   77 and name  HE1) (resid   80 and name HD23)
    or (resid   77 and name  HE1) (resid   80 and name HD12)
    or (resid   77 and name  HE1) (resid   80 and name HD11)
    or (resid   77 and name  HE1) (resid   80 and name HD13)
assign (resid   77 and name  HE1) (resid   76 and name   HA) 3.755 1.763 1.763 !13Cnoesy, no=1511, id=1360, vol=4.130800e+01
    or (resid   77 and name  HE1) (resid   77 and name   HA)
    or (resid   74 and name  HE2) (resid   70 and name   HA)
assign (resid   34 and name   HA) (resid    3 and name  HE2) 2.927 2.927 3.073 !13Cnoesy, no=1512, id=1361, vol=4.126900e+01
    or (resid   34 and name   HA) (resid   74 and name  HE1)
assign (resid    4 and name HD22) (resid    3 and name  HE2) 3.461 1.498 1.498 !13Cnoesy, no=1513, id=1362, vol=4.140200e+01
    or (resid    4 and name HD21) (resid    3 and name  HE2)
    or (resid    4 and name HD23) (resid    3 and name  HE2)
    or (resid    4 and name HD12) (resid    3 and name  HE2)
    or (resid    4 and name HD11) (resid    3 and name  HE2)
    or (resid    4 and name HD13) (resid    3 and name  HE2)
    or (resid    4 and name HD22) (resid   74 and name  HE1)
    or (resid    4 and name HD21) (resid   74 and name  HE1)
    or (resid    4 and name HD23) (resid   74 and name  HE1)
    or (resid    4 and name HD12) (resid   74 and name  HE1)
    or (resid    4 and name HD11) (resid   74 and name  HE1)
    or (resid    4 and name HD13) (resid   74 and name  HE1)
assign (resid    8 and name   HA) (resid    9 and name  HB2) 4.032 2.032 2.032 !13Cnoesy, no=1514, id=1363, vol=3.988300e+01
    or (resid   24 and name   HA) (resid    9 and name  HB2)
assign (resid    8 and name   HA) (resid    9 and name  HB1) 4.215 2.221 2.221 !13Cnoesy, no=1515, id=1364, vol=3.981700e+01
    or (resid   24 and name   HA) (resid    9 and name  HB1)
assign (resid   20 and name   HA) (resid   21 and name HG12) 2.433 2.433 3.567 !13Cnoesy, no=1522, id=1371, vol=2.158500e+01
    or (resid   20 and name   HA) (resid   21 and name HG11)
    or (resid   20 and name   HA) (resid   21 and name HG13)
    or (resid   21 and name HG12) (resid   16 and name   HA)
    or (resid   21 and name HG11) (resid   16 and name   HA)
    or (resid   21 and name HG13) (resid   16 and name   HA)
    or (resid   19 and name   HA) (resid   21 and name HG12)
    or (resid   19 and name   HA) (resid   21 and name HG11)
    or (resid   19 and name   HA) (resid   21 and name HG13)
assign (resid   35 and name   HA) (resid   21 and name HG22) 3.233 1.306 1.306 !13Cnoesy, no=1523, id=1372, vol=2.159200e+01
    or (resid   35 and name   HA) (resid   21 and name HG21)
    or (resid   35 and name   HA) (resid   21 and name HG23)
    or (resid   21 and name HG12) (resid   35 and name   HA)
    or (resid   21 and name HG11) (resid   35 and name   HA)
    or (resid   21 and name HG13) (resid   35 and name   HA)
assign (resid   21 and name   HA) (resid   21 and name HG22) 1.957 0.479 0.479 !13Cnoesy, no=1525, id=1374, vol=2.159100e+01
    or (resid   21 and name   HA) (resid   21 and name HG21)
    or (resid   21 and name   HA) (resid   21 and name HG23)
    or (resid   21 and name   HA) (resid   21 and name HG12)
    or (resid   21 and name   HA) (resid   21 and name HG11)
    or (resid   21 and name   HA) (resid   21 and name HG13)
assign (resid   21 and name   HB) (resid   21 and name HG22) 1.893 0.448 0.448 !13Cnoesy, no=1528, id=1377, vol=2.158900e+01
    or (resid   21 and name   HB) (resid   21 and name HG21)
    or (resid   21 and name   HB) (resid   21 and name HG23)
    or (resid   21 and name   HB) (resid   21 and name HG12)
    or (resid   21 and name   HB) (resid   21 and name HG11)
    or (resid   21 and name   HB) (resid   21 and name HG13)
assign (resid    8 and name HG21) (resid   23 and name   HB) 3.623 1.641 2.241 !13Cnoesy, no=1529, id=1378, vol=2.116900e+01
    or (resid    8 and name HG22) (resid   23 and name   HB)
    or (resid    8 and name HG23) (resid   23 and name   HB)
    or (resid   19 and name HG21) (resid   17 and name  HG1)
    or (resid   19 and name HG22) (resid   17 and name  HG1)
    or (resid   19 and name HG23) (resid   17 and name  HG1)
    or (resid   19 and name HG21) (resid   17 and name  HB1)
    or (resid   19 and name HG22) (resid   17 and name  HB1)
    or (resid   19 and name HG23) (resid   17 and name  HB1)
    or (resid   23 and name   HB) (resid   19 and name HG21)
    or (resid   23 and name   HB) (resid   19 and name HG22)
    or (resid   23 and name   HB) (resid   19 and name HG23)
assign (resid   39 and name  HB2) (resid   19 and name HG21) 3.493 1.525 1.525 !13Cnoesy, no=1532, id=1381, vol=2.129700e+01
    or (resid   39 and name  HB2) (resid   19 and name HG22)
    or (resid   39 and name  HB2) (resid   19 and name HG23)
    or (resid   39 and name  HB1) (resid   19 and name HG21)
    or (resid   39 and name  HB1) (resid   19 and name HG22)
    or (resid   39 and name  HB1) (resid   19 and name HG23)
    or (resid   39 and name  HB3) (resid   19 and name HG21)
    or (resid   39 and name  HB3) (resid   19 and name HG22)
    or (resid   39 and name  HB3) (resid   19 and name HG23)
    or (resid    8 and name HG21) (resid    7 and name  HB1)
    or (resid    8 and name HG22) (resid    7 and name  HB1)
    or (resid    8 and name HG23) (resid    7 and name  HB1)
assign (resid    8 and name HG21) (resid   11 and name  HB2) 2.794 2.794 3.206 !13Cnoesy, no=1535, id=1383, vol=2.123400e+01
    or (resid    8 and name HG22) (resid   11 and name  HB2)
    or (resid    8 and name HG23) (resid   11 and name  HB2)
    or (resid   19 and name HG21) (resid   17 and name  HB2)
    or (resid   19 and name HG22) (resid   17 and name  HB2)
    or (resid   19 and name HG23) (resid   17 and name  HB2)
    or (resid   19 and name HG21) (resid   21 and name   HB)
    or (resid   19 and name HG22) (resid   21 and name   HB)
    or (resid   19 and name HG23) (resid   21 and name   HB)
assign (resid   26 and name  HD2) (resid   66 and name   HA) 3.175 1.260 1.260 !13Cnoesy, no=1537, id=1385, vol=6.404000e+01
    or (resid   26 and name  HD1) (resid   66 and name   HA)
    or (resid   65 and name  HD2) (resid   66 and name   HA)
    or (resid   65 and name  HD1) (resid   66 and name   HA)
assign (resid    3 and name  HB2) (resid   27 and name  HZ3) 3.563 1.587 1.587 !13Cnoesy, no=1538, id=1386, vol=3.295400e+01
    or (resid    7 and name  HB2) (resid   27 and name  HH2)
    or (resid    7 and name  HB2) (resid   27 and name  HZ3)
assign (resid    7 and name  HB2) (resid   27 and name  HZ2) 3.554 1.579 1.579 !13Cnoesy, no=1539, id=1387, vol=3.295400e+01
    or (resid   77 and name  HB2) (resid   27 and name  HZ2)
assign (resid   27 and name  HZ2) (resid    7 and name  HB1) 3.860 1.862 1.862 !13Cnoesy, no=1541, id=1389, vol=3.295400e+01
    or (resid   27 and name  HZ2) (resid   77 and name  HB1)
assign (resid   27 and name  HH2) (resid    3 and name  HB1) 3.844 1.847 1.847 !13Cnoesy, no=1542, id=1390, vol=3.274600e+01
    or (resid    3 and name  HB1) (resid   27 and name  HZ3)
    or (resid   27 and name  HH2) (resid   77 and name  HB1)
assign (resid   27 and name  HZ2) (resid   74 and name  HB2) 3.691 1.703 1.703 !13Cnoesy, no=1543, id=1391, vol=3.274600e+01
    or (resid   27 and name  HZ2) (resid   74 and name  HB1)
    or (resid   27 and name  HZ2) (resid   77 and name  HB1)
assign (resid   55 and name  HA2) (resid   30 and name  HB2) 3.087 3.087 3.213 !13Cnoesy, no=1545, id=1393, vol=4.527800e+01
    or (resid   55 and name  HA1) (resid   30 and name  HB2)
    or (resid   55 and name  HA2) (resid   65 and name  HD2)
    or (resid   55 and name  HA2) (resid   65 and name  HD1)
    or (resid   55 and name  HA1) (resid   65 and name  HD2)
    or (resid   55 and name  HA1) (resid   65 and name  HD1)
    or (resid   55 and name  HA2) (resid   67 and name  HD2)
    or (resid   55 and name  HA2) (resid   67 and name  HD1)
    or (resid   55 and name  HA1) (resid   67 and name  HD2)
    or (resid   55 and name  HA1) (resid   67 and name  HD1)
    or (resid   57 and name  HA2) (resid   65 and name  HD2)
    or (resid   57 and name  HA2) (resid   65 and name  HD1)
    or (resid   57 and name  HA1) (resid   65 and name  HD2)
    or (resid   57 and name  HA1) (resid   65 and name  HD1)
    or (resid   57 and name  HA2) (resid   67 and name  HD2)
    or (resid   57 and name  HA2) (resid   67 and name  HD1)
    or (resid   57 and name  HA1) (resid   67 and name  HD2)
    or (resid   57 and name  HA1) (resid   67 and name  HD1)
    or (resid   59 and name  HA2) (resid   65 and name  HD2)
    or (resid   59 and name  HA2) (resid   65 and name  HD1)
    or (resid   59 and name  HA1) (resid   65 and name  HD2)
    or (resid   59 and name  HA1) (resid   65 and name  HD1)
    or (resid   59 and name  HA2) (resid   67 and name  HD2)
    or (resid   59 and name  HA2) (resid   67 and name  HD1)
    or (resid   59 and name  HA1) (resid   67 and name  HD2)
    or (resid   59 and name  HA1) (resid   67 and name  HD1)
assign (resid   53 and name  HA2) (resid   49 and name  HE1) 4.478 2.506 2.506 !13Cnoesy, no=1546, id=1394, vol=4.535900e+01
    or (resid   53 and name  HA2) (resid   49 and name  HE2)
    or (resid   53 and name  HA1) (resid   49 and name  HE1)
    or (resid   53 and name  HA1) (resid   49 and name  HE2)
    or (resid   57 and name  HA2) (resid   49 and name  HE1)
    or (resid   57 and name  HA2) (resid   49 and name  HE2)
    or (resid   57 and name  HA1) (resid   49 and name  HE1)
    or (resid   57 and name  HA1) (resid   49 and name  HE2)
assign (resid   27 and name  HZ2) (resid    6 and name  HA2) 4.843 2.931 2.931 !13Cnoesy, no=1553, id=1400, vol=1.143040e+02
    or (resid   27 and name  HZ2) (resid    6 and name  HA1)
    or (resid   27 and name  HZ2) (resid   27 and name  HB1)
assign (resid   27 and name  HE3) (resid    4 and name  HB2) 4.928 3.036 3.036 !13Cnoesy, no=1557, id=1404, vol=1.211710e+02
    or (resid   27 and name  HE3) (resid    4 and name  HB1)
    or (resid   27 and name  HE3) (resid    4 and name   HG)
assign (resid   23 and name HG22) (resid   27 and name  HZ3) 4.215 2.221 2.221 !13Cnoesy, no=1559, id=1406, vol=1.211710e+02
    or (resid   23 and name HG21) (resid   27 and name  HZ3)
    or (resid   23 and name HG23) (resid   27 and name  HZ3)
    or (resid   27 and name  HZ3) (resid   24 and name  HG1)
assign (resid   27 and name  HH2) (resid   24 and name  HD2) 4.843 2.931 2.931 !13Cnoesy, no=1560, id=1407, vol=1.249920e+02
    or (resid   27 and name  HH2) (resid   77 and name  HE2)
assign (resid   47 and name  HB1) (resid   28 and name  HB2) 4.010 2.010 2.010 !13Cnoesy, no=1566, id=1413, vol=3.419600e+01
    or (resid   47 and name  HB1) (resid   43 and name HG11)
assign (resid    5 and name   HA) (resid   23 and name   HB) 3.860 3.860 2.140 !13Cnoesy, no=1568, id=1415, vol=3.399100e+01
    or (resid   17 and name  HD1) (resid   23 and name   HB)
    or (resid   23 and name   HB) (resid   45 and name   HA)
assign (resid   73 and name  HD2) (resid    7 and name  HB2) 3.716 1.726 1.726 !13Cnoesy, no=1571, id=1418, vol=3.295400e+01
    or (resid   73 and name  HD1) (resid    7 and name  HB2)
    or (resid   77 and name  HB2) (resid   76 and name  HD2)
    or (resid   77 and name  HB2) (resid   76 and name  HD1)
assign (resid    7 and name  HB2) (resid    9 and name   HA) 4.079 2.080 2.080 !13Cnoesy, no=1573, id=1420, vol=3.293000e+01
    or (resid    7 and name  HB2) (resid   23 and name   HA)
assign (resid    7 and name  HB1) (resid    9 and name   HA) 4.010 2.010 2.010 !13Cnoesy, no=1574, id=1421, vol=3.295400e+01
    or (resid    7 and name  HB1) (resid   23 and name   HA)
assign (resid   74 and name  HE1) (resid   74 and name  HB2) 2.915 1.063 1.063 !13Cnoesy, no=1575, id=1422, vol=3.265400e+01
    or (resid   74 and name  HE1) (resid   74 and name  HB1)
    or (resid    3 and name  HE2) (resid    3 and name  HB1)
assign (resid   73 and name  HD2) (resid    7 and name  HB1) 3.257 1.326 1.326 !13Cnoesy, no=1576, id=1423, vol=3.268400e+01
    or (resid   73 and name  HD1) (resid    7 and name  HB1)
    or (resid   74 and name  HB2) (resid   26 and name  HD2)
    or (resid   74 and name  HB2) (resid   26 and name  HD1)
    or (resid   74 and name  HB1) (resid   26 and name  HD2)
    or (resid   74 and name  HB1) (resid   26 and name  HD1)
    or (resid   74 and name  HB2) (resid   30 and name  HB2)
    or (resid   74 and name  HB1) (resid   30 and name  HB2)
    or (resid   74 and name  HB2) (resid   73 and name  HD2)
    or (resid   74 and name  HB2) (resid   73 and name  HD1)
    or (resid   74 and name  HB1) (resid   73 and name  HD2)
    or (resid   74 and name  HB1) (resid   73 and name  HD1)
assign (resid    7 and name  HB1) (resid    7 and name  HE2) 3.233 1.306 1.306 !13Cnoesy, no=1577, id=1424, vol=3.294000e+01
    or (resid    7 and name  HE1) (resid    7 and name  HB1)
assign (resid    7 and name  HB1) (resid    7 and name  HG2) 2.271 0.644 0.644 !13Cnoesy, no=1578, id=1425, vol=3.305800e+01
    or (resid    7 and name  HB1) (resid    7 and name  HG1)
assign (resid   72 and name HD22) (resid   74 and name  HB2) 2.821 0.995 0.995 !13Cnoesy, no=1581, id=1428, vol=3.274700e+01
    or (resid   72 and name HD22) (resid   74 and name  HB1)
    or (resid   72 and name HD21) (resid   74 and name  HB2)
    or (resid   72 and name HD21) (resid   74 and name  HB1)
    or (resid   72 and name HD23) (resid   74 and name  HB2)
    or (resid   72 and name HD23) (resid   74 and name  HB1)
    or (resid   74 and name  HB2) (resid   75 and name HD22)
    or (resid   74 and name  HB2) (resid   75 and name HD21)
    or (resid   74 and name  HB2) (resid   75 and name HD23)
    or (resid   74 and name  HB1) (resid   75 and name HD22)
    or (resid   74 and name  HB1) (resid   75 and name HD21)
    or (resid   74 and name  HB1) (resid   75 and name HD23)
    or (resid   74 and name  HB2) (resid   75 and name HD12)
    or (resid   74 and name  HB2) (resid   75 and name HD11)
    or (resid   74 and name  HB2) (resid   75 and name HD13)
    or (resid   74 and name  HB1) (resid   75 and name HD12)
    or (resid   74 and name  HB1) (resid   75 and name HD11)
    or (resid   74 and name  HB1) (resid   75 and name HD13)
    or (resid   77 and name  HB1) (resid   80 and name HD12)
    or (resid   77 and name  HB1) (resid   80 and name HD11)
    or (resid   77 and name  HB1) (resid   80 and name HD13)
    or (resid    3 and name  HB1) (resid    4 and name HD12)
    or (resid    3 and name  HB1) (resid    4 and name HD11)
    or (resid    3 and name  HB1) (resid    4 and name HD13)
    or (resid    7 and name  HB1) (resid    4 and name HD22)
    or (resid    7 and name  HB1) (resid    4 and name HD21)
    or (resid    7 and name  HB1) (resid    4 and name HD23)
    or (resid    7 and name  HB1) (resid    4 and name HD12)
    or (resid    7 and name  HB1) (resid    4 and name HD11)
    or (resid    7 and name  HB1) (resid    4 and name HD13)
    or (resid   72 and name HD22) (resid    7 and name  HB1)
    or (resid   72 and name HD21) (resid    7 and name  HB1)
    or (resid   72 and name HD23) (resid    7 and name  HB1)
assign (resid    3 and name  HB1) (resid    3 and name  HG1) 2.118 0.561 0.561 !13Cnoesy, no=1582, id=1429, vol=3.274700e+01
    or (resid   74 and name  HB2) (resid   74 and name  HG1)
    or (resid   74 and name  HB1) (resid   74 and name  HG1)
    or (resid   74 and name  HB2) (resid   74 and name  HD2)
    or (resid   74 and name  HB1) (resid   74 and name  HD2)
assign (resid   27 and name  HH2) (resid   24 and name   HA) 4.314 2.327 2.327 !13Cnoesy, no=1586, id=1433, vol=6.254100e+01
    or (resid   24 and name   HA) (resid   27 and name  HE3)
assign (resid   11 and name   HA) (resid   28 and name HD22) 4.526 2.561 2.561 !13Cnoesy, no=1596, id=1443, vol=6.415900e+01
    or (resid   11 and name   HA) (resid   28 and name HD21)
    or (resid   11 and name   HA) (resid   28 and name HD23)
    or (resid   11 and name   HA) (resid   68 and name HD12)
    or (resid   11 and name   HA) (resid   68 and name HD11)
    or (resid   11 and name   HA) (resid   68 and name HD13)
    or (resid   11 and name   HA) (resid   72 and name HD12)
    or (resid   11 and name   HA) (resid   72 and name HD11)
    or (resid   11 and name   HA) (resid   72 and name HD13)
assign (resid    2 and name  HB2) (resid   16 and name  HB2) 3.461 1.498 1.698 !13Cnoesy, no=1597, id=1444, vol=6.373400e+01
    or (resid    2 and name  HB2) (resid   33 and name  HE2)
    or (resid    2 and name  HB2) (resid   33 and name  HE1)
    or (resid    2 and name  HB2) (resid   35 and name  HB2)
    or (resid   51 and name  HB2) (resid   47 and name  HB1)
    or (resid   51 and name  HB2) (resid   49 and name  HB2)
    or (resid   56 and name  HB2) (resid   49 and name  HB2)
assign (resid   36 and name   HA) (resid   35 and name  HB2) 4.055 2.056 2.056 !13Cnoesy, no=1600, id=1447, vol=3.795200e+01
    or (resid   35 and name  HB2) (resid   39 and name   HA)
assign (resid   17 and name  HG1) (resid   35 and name  HB1) 4.526 2.561 2.561 !13Cnoesy, no=1601, id=1448, vol=3.792500e+01
    or (resid   35 and name  HB1) (resid   23 and name   HB)
assign (resid   35 and name  HB2) (resid   17 and name  HB1) 4.579 2.620 2.620 !13Cnoesy, no=1602, id=1449, vol=3.790600e+01
    or (resid   23 and name   HB) (resid   35 and name  HB2)
assign (resid   41 and name  HG1) (resid   42 and name  HB1) 4.314 2.327 2.327 !13Cnoesy, no=1605, id=1452, vol=6.753100e+01
    or (resid   42 and name  HB1) (resid   47 and name  HB2)
assign (resid   38 and name  HA1) (resid   16 and name   HA) 4.246 2.254 2.254 !13Cnoesy, no=1609, id=1456, vol=4.607000e+01
    or (resid   38 and name  HA1) (resid   41 and name   HA)
assign (resid    7 and name  HG1) (resid    6 and name  HA2) 3.383 1.431 1.831 !13Cnoesy, no=1613, id=1460, vol=4.530900e+01
    or (resid    7 and name  HG1) (resid    6 and name  HA1)
    or (resid   77 and name  HG1) (resid    6 and name  HA2)
    or (resid   77 and name  HG1) (resid    6 and name  HA1)
assign (resid    4 and name HD22) (resid    6 and name  HA2) 3.742 1.750 1.750 !13Cnoesy, no=1616, id=1463, vol=4.534200e+01
    or (resid    4 and name HD22) (resid    6 and name  HA1)
    or (resid    4 and name HD21) (resid    6 and name  HA2)
    or (resid    4 and name HD21) (resid    6 and name  HA1)
    or (resid    4 and name HD23) (resid    6 and name  HA2)
    or (resid    4 and name HD23) (resid    6 and name  HA1)
    or (resid    6 and name  HA2) (resid    4 and name HD12)
    or (resid    6 and name  HA2) (resid    4 and name HD11)
    or (resid    6 and name  HA2) (resid    4 and name HD13)
    or (resid    6 and name  HA1) (resid    4 and name HD12)
    or (resid    6 and name  HA1) (resid    4 and name HD11)
    or (resid    6 and name  HA1) (resid    4 and name HD13)
    or (resid    6 and name  HA2) (resid   79 and name HD22)
    or (resid    6 and name  HA2) (resid   79 and name HD21)
    or (resid    6 and name  HA2) (resid   79 and name HD23)
    or (resid    6 and name  HA1) (resid   79 and name HD22)
    or (resid    6 and name  HA1) (resid   79 and name HD21)
    or (resid    6 and name  HA1) (resid   79 and name HD23)
    or (resid    6 and name  HA2) (resid   80 and name HD22)
    or (resid    6 and name  HA2) (resid   80 and name HD21)
    or (resid    6 and name  HA2) (resid   80 and name HD23)
    or (resid    6 and name  HA1) (resid   80 and name HD22)
    or (resid    6 and name  HA1) (resid   80 and name HD21)
    or (resid    6 and name  HA1) (resid   80 and name HD23)
    or (resid    6 and name  HA2) (resid   80 and name HD12)
    or (resid    6 and name  HA2) (resid   80 and name HD11)
    or (resid    6 and name  HA2) (resid   80 and name HD13)
    or (resid    6 and name  HA1) (resid   80 and name HD12)
    or (resid    6 and name  HA1) (resid   80 and name HD11)
    or (resid    6 and name  HA1) (resid   80 and name HD13)
assign (resid   31 and name  HA2) (resid   30 and name  HB1) 4.526 2.561 2.561 !13Cnoesy, no=1620, id=1467, vol=4.525100e+01
    or (resid   31 and name  HA2) (resid   32 and name  HB1)
assign (resid   31 and name  HA2) (resid   28 and name  HB1) 4.526 2.561 2.561 !13Cnoesy, no=1621, id=1468, vol=4.527700e+01
    or (resid   31 and name  HA2) (resid   33 and name  HB1)
    or (resid   31 and name  HA2) (resid   41 and name  HG2)
    or (resid   31 and name  HA2) (resid   67 and name  HB2)
    or (resid   31 and name  HA2) (resid   67 and name  HB1)
assign (resid   31 and name  HA1) (resid   30 and name  HB1) 4.351 2.367 2.367 !13Cnoesy, no=1622, id=1469, vol=4.520200e+01
    or (resid   31 and name  HA1) (resid   32 and name  HB1)
assign (resid   31 and name  HA1) (resid   33 and name  HG1) 3.783 1.789 3.389 !13Cnoesy, no=1623, id=1470, vol=4.534200e+01
    or (resid   31 and name  HA1) (resid   41 and name  HB2)
assign (resid   33 and name  HB1) (resid   31 and name  HA1) 4.246 2.254 2.654 !13Cnoesy, no=1624, id=1471, vol=4.534200e+01
    or (resid   31 and name  HA1) (resid   41 and name  HG2)
assign (resid   46 and name  HA2) (resid   28 and name  HB1) 4.157 2.160 2.160 !13Cnoesy, no=1627, id=1474, vol=4.477700e+01
    or (resid   46 and name  HA2) (resid   43 and name   HB)
assign (resid   11 and name  HD2) (resid    7 and name  HE2) 4.478 2.506 2.506 !13Cnoesy, no=1630, id=1477, vol=4.970400e+01
    or (resid   11 and name  HD1) (resid    7 and name  HE2)
    or (resid   11 and name  HD2) (resid   22 and name  HB2)
    or (resid   11 and name  HD1) (resid   22 and name  HB2)
assign (resid    6 and name  HA2) (resid   24 and name  HD1) 4.579 2.620 2.720 !13Cnoesy, no=1633, id=1480, vol=5.016400e+01
    or (resid    6 and name  HA1) (resid   24 and name  HD1)
    or (resid   24 and name  HD1) (resid   27 and name  HB1)
assign (resid   28 and name   HG) (resid   45 and name   HA) 3.223 1.299 1.299 !13Cnoesy, no=1634, id=1481, vol=5.161400e+01
    or (resid   45 and name   HA) (resid   39 and name  HB2)
    or (resid   45 and name   HA) (resid   39 and name  HB1)
    or (resid   45 and name   HA) (resid   39 and name  HB3)
assign (resid   45 and name   HA) (resid   14 and name  HB2) 3.592 1.613 1.613 !13Cnoesy, no=1636, id=1483, vol=5.155000e+01
    or (resid   45 and name   HA) (resid   14 and name  HB1)
assign (resid   32 and name   HA) (resid   56 and name  HB1) 4.526 2.561 2.561 !13Cnoesy, no=1637, id=1484, vol=5.195500e+01
    or (resid   32 and name   HA) (resid    2 and name  HB1)
    or (resid   32 and name   HA) (resid   27 and name  HB1)
    or (resid   32 and name   HA) (resid   54 and name  HB1)
assign (resid   35 and name   HA) (resid   34 and name  HB2) 4.391 2.410 2.410 !13Cnoesy, no=1638, id=1485, vol=5.223500e+01
    or (resid   35 and name   HA) (resid   40 and name  HB2)
assign (resid   19 and name HG21) (resid   16 and name   HA) 3.493 1.525 1.525 !13Cnoesy, no=1642, id=1488, vol=5.266400e+01
    or (resid   19 and name HG22) (resid   16 and name   HA)
    or (resid   19 and name HG23) (resid   16 and name   HA)
    or (resid   16 and name   HA) (resid   23 and name HG22)
    or (resid   16 and name   HA) (resid   23 and name HG21)
    or (resid   16 and name   HA) (resid   23 and name HG23)
    or (resid   45 and name  HB2) (resid   16 and name   HA)
    or (resid   45 and name  HB1) (resid   16 and name   HA)
    or (resid   45 and name  HB3) (resid   16 and name   HA)
    or (resid   52 and name HG21) (resid   50 and name   HA)
    or (resid   52 and name HG22) (resid   50 and name   HA)
    or (resid   52 and name HG23) (resid   50 and name   HA)
assign (resid   37 and name   HA) (resid   19 and name HG21) 4.246 2.254 2.254 !13Cnoesy, no=1643, id=1489, vol=5.253800e+01
    or (resid   37 and name   HA) (resid   19 and name HG22)
    or (resid   37 and name   HA) (resid   19 and name HG23)
    or (resid   37 and name   HA) (resid   33 and name  HG2)
assign (resid   27 and name   HA) (resid    4 and name HD22) 4.478 2.506 2.506 !13Cnoesy, no=1647, id=1493, vol=5.407600e+01
    or (resid   27 and name   HA) (resid    4 and name HD21)
    or (resid   27 and name   HA) (resid    4 and name HD23)
    or (resid   27 and name   HA) (resid    4 and name HD12)
    or (resid   27 and name   HA) (resid    4 and name HD11)
    or (resid   27 and name   HA) (resid    4 and name HD13)
    or (resid   28 and name HD22) (resid   27 and name   HA)
    or (resid   28 and name HD21) (resid   27 and name   HA)
    or (resid   28 and name HD23) (resid   27 and name   HA)
assign (resid   38 and name  HA1) (resid   41 and name   HA) 3.949 1.949 1.949 !13Cnoesy, no=1652, id=1498, vol=5.421600e+01
    or (resid   41 and name   HA) (resid   42 and name  HB2)
assign (resid   17 and name  HG1) (resid   40 and name   HA) 4.185 2.189 2.189 !13Cnoesy, no=1655, id=1501, vol=5.484900e+01
    or (resid   40 and name   HA) (resid   23 and name   HB)
    or (resid   40 and name   HA) (resid   25 and name  HG2)
    or (resid   40 and name   HA) (resid   25 and name  HG1)
assign (resid   16 and name   HA) (resid   40 and name   HA) 4.314 2.327 2.327 !13Cnoesy, no=1656, id=1502, vol=5.472800e+01
    or (resid   40 and name   HA) (resid   41 and name   HA)
assign (resid   40 and name   HA) (resid   38 and name  HA1) 4.246 2.254 2.254 !13Cnoesy, no=1657, id=1503, vol=5.487300e+01
    or (resid   39 and name   HA) (resid   40 and name   HA)
assign (resid   40 and name   HA) (resid   14 and name  HB1) 3.554 1.579 1.579 !13Cnoesy, no=1658, id=1504, vol=5.476900e+01
    or (resid   35 and name  HB2) (resid   40 and name   HA)
assign (resid   28 and name   HA) (resid   23 and name   HB) 3.912 1.913 1.913 !13Cnoesy, no=1659, id=1505, vol=5.519100e+01
    or (resid   28 and name   HA) (resid   25 and name  HG2)
    or (resid   28 and name   HA) (resid   25 and name  HG1)
assign (resid    4 and name   HA) (resid    5 and name  HB2) 4.185 2.189 2.189 !13Cnoesy, no=1662, id=1508, vol=5.508000e+01
    or (resid    4 and name   HA) (resid    5 and name  HB1)
assign (resid   33 and name   HA) (resid    4 and name HD22) 4.010 2.010 2.010 !13Cnoesy, no=1674, id=1520, vol=5.731700e+01
    or (resid   33 and name   HA) (resid    4 and name HD21)
    or (resid   33 and name   HA) (resid    4 and name HD23)
    or (resid    4 and name HD12) (resid   33 and name   HA)
    or (resid    4 and name HD11) (resid   33 and name   HA)
    or (resid    4 and name HD13) (resid   33 and name   HA)
assign (resid    5 and name   HA) (resid    7 and name  HE2) 3.439 1.478 1.478 !13Cnoesy, no=1680, id=1526, vol=5.657500e+01
    or (resid    5 and name   HA) (resid    7 and name  HE1)
    or (resid   77 and name   HA) (resid    7 and name  HE2)
    or (resid   77 and name   HA) (resid    7 and name  HE1)
assign (resid   48 and name   HA) (resid   42 and name  HB2) 3.536 1.563 1.563 !13Cnoesy, no=1681, id=1527, vol=5.502600e+01
    or (resid   48 and name   HA) (resid   58 and name  HB2)
assign (resid   15 and name   HA) (resid   17 and name  HG1) 3.969 1.969 1.969 !13Cnoesy, no=1682, id=1528, vol=5.623400e+01
    or (resid   15 and name   HA) (resid   17 and name  HB1)
    or (resid   23 and name   HB) (resid   15 and name   HA)
assign (resid   21 and name HG22) (resid   15 and name   HA) 3.742 1.750 1.750 !13Cnoesy, no=1683, id=1529, vol=5.635800e+01
    or (resid   21 and name HG21) (resid   15 and name   HA)
    or (resid   21 and name HG23) (resid   15 and name   HA)
    or (resid   15 and name   HA) (resid   21 and name HG12)
    or (resid   15 and name   HA) (resid   21 and name HG11)
    or (resid   15 and name   HA) (resid   21 and name HG13)
assign (resid   15 and name   HA) (resid   14 and name  HB1) 2.959 1.095 1.095 !13Cnoesy, no=1684, id=1530, vol=5.645200e+01
    or (resid   15 and name   HA) (resid   16 and name  HB2)
    or (resid   15 and name   HA) (resid   22 and name  HB1)
assign (resid   64 and name   HA) (resid   64 and name HD12) 2.066 0.533 0.533 !13Cnoesy, no=1686, id=1532, vol=5.672800e+01
    or (resid   64 and name   HA) (resid   64 and name HD11)
    or (resid   64 and name   HA) (resid   64 and name HD13)
    or (resid   72 and name   HA) (resid   72 and name HD12)
    or (resid   72 and name   HA) (resid   72 and name HD11)
    or (resid   72 and name   HA) (resid   72 and name HD13)
assign (resid   64 and name   HA) (resid   64 and name  HB2) 2.087 0.544 0.544 !13Cnoesy, no=1688, id=1534, vol=5.672800e+01
    or (resid   64 and name   HA) (resid   64 and name  HB1)
    or (resid   72 and name   HA) (resid   72 and name  HB1)
    or (resid   72 and name   HA) (resid   75 and name  HB2)
    or (resid   72 and name   HA) (resid   75 and name  HB1)
assign (resid   64 and name   HA) (resid   63 and name  HG2) 3.603 1.622 1.902 !13Cnoesy, no=1689, id=1535, vol=5.683100e+01
    or (resid   64 and name   HA) (resid   63 and name  HG1)
assign (resid   43 and name HG12) (resid   42 and name   HA) 3.667 1.681 1.681 !13Cnoesy, no=1690, id=1536, vol=5.745700e+01
    or (resid   45 and name  HB2) (resid   42 and name   HA)
    or (resid   45 and name  HB1) (resid   42 and name   HA)
    or (resid   45 and name  HB3) (resid   42 and name   HA)
assign (resid   42 and name   HA) (resid   38 and name  HA2) 3.798 1.798 2.402 !13Cnoesy, no=1693, id=1539, vol=5.759500e+01
    or (resid   42 and name   HA) (resid   46 and name  HA2)
assign (resid   13 and name   HA) (resid    9 and name  HB1) 3.536 1.563 1.563 !13Cnoesy, no=1695, id=1541, vol=5.755700e+01
    or (resid   13 and name   HA) (resid   24 and name  HD1)
    or (resid   13 and name   HA) (resid   73 and name  HD2)
    or (resid   13 and name   HA) (resid   73 and name  HD1)
assign (resid   13 and name   HA) (resid   14 and name  HB2) 3.339 1.394 1.394 !13Cnoesy, no=1696, id=1542, vol=5.762600e+01
    or (resid   13 and name   HA) (resid   14 and name  HB1)
assign (resid   13 and name   HA) (resid   22 and name  HB2) 3.783 1.789 1.789 !13Cnoesy, no=1697, id=1543, vol=5.762500e+01
    or (resid   13 and name   HA) (resid    9 and name  HB2)
assign (resid   23 and name   HA) (resid    3 and name  HD2) 4.391 2.410 2.410 !13Cnoesy, no=1703, id=1549, vol=5.777800e+01
    or (resid   23 and name   HA) (resid    3 and name  HD1)
    or (resid   26 and name  HG2) (resid   23 and name   HA)
    or (resid   26 and name  HG1) (resid   23 and name   HA)
    or (resid   36 and name  HB2) (resid   23 and name   HA)
    or (resid   36 and name  HB1) (resid   23 and name   HA)
    or (resid   36 and name  HB3) (resid   23 and name   HA)
    or (resid   23 and name   HA) (resid   73 and name  HG2)
    or (resid   23 and name   HA) (resid   74 and name  HD1)
assign (resid   26 and name   HA) (resid   23 and name HG22) 3.828 1.832 1.832 !13Cnoesy, no=1705, id=1551, vol=5.755600e+01
    or (resid   26 and name   HA) (resid   23 and name HG21)
    or (resid   26 and name   HA) (resid   23 and name HG23)
    or (resid   24 and name  HB2) (resid   26 and name   HA)
assign (resid   11 and name  HD2) (resid   73 and name   HA) 4.526 2.561 2.561 !13Cnoesy, no=1710, id=1556, vol=5.788500e+01
    or (resid   11 and name  HD1) (resid   73 and name   HA)
    or (resid   73 and name   HA) (resid   13 and name  HB2)
    or (resid   73 and name   HA) (resid   13 and name  HB1)
assign (resid   63 and name   HA) (resid   49 and name  HE1) 4.433 2.456 2.456 !13Cnoesy, no=1712, id=1558, vol=5.824800e+01
    or (resid   63 and name   HA) (resid   49 and name  HE2)
    or (resid   73 and name   HA) (resid   27 and name  HD1)
assign (resid   49 and name  HD1) (resid   51 and name   HA) 3.518 1.547 1.547 !13Cnoesy, no=1715, id=1561, vol=5.848800e+01
    or (resid   49 and name  HD2) (resid   51 and name   HA)
    or (resid   56 and name   HA) (resid   49 and name  HD1)
    or (resid   56 and name   HA) (resid   49 and name  HD2)
assign (resid   27 and name  HH2) (resid    5 and name   HA) 4.010 2.010 2.010 !13Cnoesy, no=1716, id=1562, vol=5.660000e+01
    or (resid    5 and name   HA) (resid   27 and name  HZ3)
    or (resid   27 and name  HH2) (resid   77 and name   HA)
assign (resid    3 and name  HB1) (resid    2 and name   HA) 2.527 2.527 3.473 !13Cnoesy, no=1720, id=1566, vol=5.830700e+01
    or (resid   74 and name  HB2) (resid   71 and name   HA)
    or (resid   74 and name  HB1) (resid   71 and name   HA)
assign (resid    4 and name HD22) (resid   36 and name  HB2) 2.886 1.041 1.241 !13Cnoesy, no=1723, id=1569, vol=1.810400e+01
    or (resid    4 and name HD22) (resid   36 and name  HB1)
    or (resid    4 and name HD22) (resid   36 and name  HB3)
    or (resid    4 and name HD21) (resid   36 and name  HB2)
    or (resid    4 and name HD21) (resid   36 and name  HB1)
    or (resid    4 and name HD21) (resid   36 and name  HB3)
    or (resid    4 and name HD23) (resid   36 and name  HB2)
    or (resid    4 and name HD23) (resid   36 and name  HB1)
    or (resid    4 and name HD23) (resid   36 and name  HB3)
    or (resid   36 and name  HB2) (resid   21 and name HG12)
    or (resid   36 and name  HB2) (resid   21 and name HG11)
    or (resid   36 and name  HB2) (resid   21 and name HG13)
    or (resid   36 and name  HB1) (resid   21 and name HG12)
    or (resid   36 and name  HB1) (resid   21 and name HG11)
    or (resid   36 and name  HB1) (resid   21 and name HG13)
    or (resid   36 and name  HB3) (resid   21 and name HG12)
    or (resid   36 and name  HB3) (resid   21 and name HG11)
    or (resid   36 and name  HB3) (resid   21 and name HG13)
assign (resid   36 and name  HB2) (resid   21 and name   HB) 3.912 1.913 1.913 !13Cnoesy, no=1724, id=1570, vol=1.820700e+01
    or (resid   36 and name  HB1) (resid   21 and name   HB)
    or (resid   36 and name  HB3) (resid   21 and name   HB)
    or (resid   36 and name  HB2) (resid   39 and name  HB2)
    or (resid   36 and name  HB2) (resid   39 and name  HB1)
    or (resid   36 and name  HB2) (resid   39 and name  HB3)
    or (resid   36 and name  HB1) (resid   39 and name  HB2)
    or (resid   36 and name  HB1) (resid   39 and name  HB1)
    or (resid   36 and name  HB1) (resid   39 and name  HB3)
    or (resid   36 and name  HB3) (resid   39 and name  HB2)
    or (resid   36 and name  HB3) (resid   39 and name  HB1)
    or (resid   36 and name  HB3) (resid   39 and name  HB3)
assign (resid   26 and name  HB2) (resid   69 and name  HB2) 3.094 1.197 1.197 !13Cnoesy, no=1725, id=1571, vol=1.851800e+01
    or (resid   26 and name  HB2) (resid   69 and name  HB1)
    or (resid   26 and name  HB2) (resid   69 and name  HB3)
    or (resid   69 and name  HB2) (resid   73 and name  HB2)
    or (resid   69 and name  HB2) (resid   73 and name  HB1)
    or (resid   69 and name  HB1) (resid   73 and name  HB2)
    or (resid   69 and name  HB1) (resid   73 and name  HB1)
    or (resid   69 and name  HB3) (resid   73 and name  HB2)
    or (resid   69 and name  HB3) (resid   73 and name  HB1)
assign (resid   19 and name HG21) (resid   21 and name HG22) 2.495 0.778 0.778 !13Cnoesy, no=1727, id=1573, vol=2.115500e+01
    or (resid   19 and name HG21) (resid   21 and name HG21)
    or (resid   19 and name HG21) (resid   21 and name HG23)
    or (resid   19 and name HG22) (resid   21 and name HG22)
    or (resid   19 and name HG22) (resid   21 and name HG21)
    or (resid   19 and name HG22) (resid   21 and name HG23)
    or (resid   19 and name HG23) (resid   21 and name HG22)
    or (resid   19 and name HG23) (resid   21 and name HG21)
    or (resid   19 and name HG23) (resid   21 and name HG23)
    or (resid   19 and name HG21) (resid   21 and name HG12)
    or (resid   19 and name HG21) (resid   21 and name HG11)
    or (resid   19 and name HG21) (resid   21 and name HG13)
    or (resid   19 and name HG22) (resid   21 and name HG12)
    or (resid   19 and name HG22) (resid   21 and name HG11)
    or (resid   19 and name HG22) (resid   21 and name HG13)
    or (resid   19 and name HG23) (resid   21 and name HG12)
    or (resid   19 and name HG23) (resid   21 and name HG11)
    or (resid   19 and name HG23) (resid   21 and name HG13)
assign (resid   21 and name HG22) (resid   22 and name   HA) 3.592 1.613 1.613 !13Cnoesy, no=1728, id=1574, vol=2.163200e+01
    or (resid   21 and name HG21) (resid   22 and name   HA)
    or (resid   21 and name HG23) (resid   22 and name   HA)
    or (resid   21 and name HG12) (resid   22 and name   HA)
    or (resid   21 and name HG11) (resid   22 and name   HA)
    or (resid   21 and name HG13) (resid   22 and name   HA)
assign (resid   28 and name HD12) (resid   24 and name  HD1) 3.073 3.073 2.927 !13Cnoesy, no=1729, id=1575, vol=2.207400e+01
    or (resid   28 and name HD11) (resid   24 and name  HD1)
    or (resid   28 and name HD13) (resid   24 and name  HD1)
    or (resid   26 and name  HD2) (resid   28 and name HD12)
    or (resid   26 and name  HD2) (resid   28 and name HD11)
    or (resid   26 and name  HD2) (resid   28 and name HD13)
    or (resid   26 and name  HD1) (resid   28 and name HD12)
    or (resid   26 and name  HD1) (resid   28 and name HD11)
    or (resid   26 and name  HD1) (resid   28 and name HD13)
    or (resid   28 and name HD12) (resid   30 and name  HB2)
    or (resid   28 and name HD11) (resid   30 and name  HB2)
    or (resid   28 and name HD13) (resid   30 and name  HB2)
    or (resid   65 and name  HD2) (resid   28 and name HD12)
    or (resid   65 and name  HD2) (resid   28 and name HD11)
    or (resid   65 and name  HD2) (resid   28 and name HD13)
    or (resid   65 and name  HD1) (resid   28 and name HD12)
    or (resid   65 and name  HD1) (resid   28 and name HD11)
    or (resid   65 and name  HD1) (resid   28 and name HD13)
assign (resid   23 and name HG22) (resid    4 and name   HA) 3.267 1.334 1.334 !13Cnoesy, no=1730, id=1576, vol=2.242200e+01
    or (resid   23 and name HG21) (resid    4 and name   HA)
    or (resid   23 and name HG23) (resid    4 and name   HA)
    or (resid   24 and name   HA) (resid   23 and name HG22)
    or (resid   24 and name   HA) (resid   23 and name HG21)
    or (resid   24 and name   HA) (resid   23 and name HG23)
    or (resid   33 and name   HA) (resid   23 and name HG22)
    or (resid   33 and name   HA) (resid   23 and name HG21)
    or (resid   33 and name   HA) (resid   23 and name HG23)
assign (resid   48 and name  HB2) (resid   48 and name HD12) 1.660 0.344 0.344 !13Cnoesy, no=1731, id=1577, vol=2.353500e+01
    or (resid   48 and name  HB2) (resid   48 and name HD11)
    or (resid   48 and name  HB2) (resid   48 and name HD13)
    or (resid   48 and name  HB1) (resid   48 and name HD12)
    or (resid   48 and name  HB1) (resid   48 and name HD11)
    or (resid   48 and name  HB1) (resid   48 and name HD13)
    or (resid   48 and name   HG) (resid   48 and name HD12)
    or (resid   48 and name   HG) (resid   48 and name HD11)
    or (resid   48 and name   HG) (resid   48 and name HD13)
assign (resid   48 and name HD12) (resid   47 and name  HB1) 3.322 3.322 2.678 !13Cnoesy, no=1733, id=1579, vol=2.366100e+01
    or (resid   48 and name HD11) (resid   47 and name  HB1)
    or (resid   48 and name HD13) (resid   47 and name  HB1)
    or (resid   48 and name HD12) (resid   49 and name  HB1)
    or (resid   48 and name HD11) (resid   49 and name  HB1)
    or (resid   48 and name HD13) (resid   49 and name  HB1)
assign (resid    4 and name HD12) (resid    2 and name  HB1) 3.084 1.189 1.189 !13Cnoesy, no=1736, id=1582, vol=2.366100e+01
    or (resid    4 and name HD11) (resid    2 and name  HB1)
    or (resid    4 and name HD13) (resid    2 and name  HB1)
    or (resid    4 and name HD12) (resid   27 and name  HB1)
    or (resid    4 and name HD11) (resid   27 and name  HB1)
    or (resid    4 and name HD13) (resid   27 and name  HB1)
assign (resid   48 and name HD12) (resid   43 and name   HB) 2.794 2.794 3.206 !13Cnoesy, no=1737, id=1583, vol=2.366100e+01
    or (resid   48 and name HD11) (resid   43 and name   HB)
    or (resid   48 and name HD13) (resid   43 and name   HB)
    or (resid   48 and name HD12) (resid   65 and name  HB2)
    or (resid   48 and name HD12) (resid   65 and name  HB1)
    or (resid   48 and name HD11) (resid   65 and name  HB2)
    or (resid   48 and name HD11) (resid   65 and name  HB1)
    or (resid   48 and name HD13) (resid   65 and name  HB2)
    or (resid   48 and name HD13) (resid   65 and name  HB1)
assign (resid    4 and name HD12) (resid   27 and name  HD1) 3.461 3.461 2.539 !13Cnoesy, no=1739, id=1585, vol=2.366100e+01
    or (resid    4 and name HD11) (resid   27 and name  HD1)
    or (resid    4 and name HD13) (resid   27 and name  HD1)
    or (resid   49 and name  HE1) (resid   48 and name HD12)
    or (resid   49 and name  HE1) (resid   48 and name HD11)
    or (resid   49 and name  HE1) (resid   48 and name HD13)
    or (resid   49 and name  HE2) (resid   48 and name HD12)
    or (resid   49 and name  HE2) (resid   48 and name HD11)
    or (resid   49 and name  HE2) (resid   48 and name HD13)
assign (resid   71 and name  HD2) (resid   75 and name HD12) 2.459 2.459 3.541 !13Cnoesy, no=1740, id=1586, vol=2.327300e+01
    or (resid   71 and name  HD2) (resid   75 and name HD11)
    or (resid   71 and name  HD2) (resid   75 and name HD13)
    or (resid   71 and name  HD2) (resid   72 and name HD12)
    or (resid   71 and name  HD2) (resid   72 and name HD11)
    or (resid   71 and name  HD2) (resid   72 and name HD13)
assign (resid   72 and name  HB2) (resid   72 and name HD12) 1.747 0.381 0.381 !13Cnoesy, no=1741, id=1587, vol=2.317000e+01
    or (resid   72 and name  HB2) (resid   72 and name HD11)
    or (resid   72 and name  HB2) (resid   72 and name HD13)
    or (resid   72 and name HD12) (resid   72 and name   HG)
    or (resid   72 and name HD11) (resid   72 and name   HG)
    or (resid   72 and name HD13) (resid   72 and name   HG)
assign (resid   64 and name HD12) (resid   60 and name  HB2) 2.633 0.867 0.867 !13Cnoesy, no=1744, id=1590, vol=2.379100e+01
    or (resid   64 and name HD11) (resid   60 and name  HB2)
    or (resid   64 and name HD13) (resid   60 and name  HB2)
    or (resid   68 and name HD12) (resid   12 and name  HB2)
    or (resid   68 and name HD12) (resid   12 and name  HB1)
    or (resid   68 and name HD11) (resid   12 and name  HB2)
    or (resid   68 and name HD11) (resid   12 and name  HB1)
    or (resid   68 and name HD13) (resid   12 and name  HB2)
    or (resid   68 and name HD13) (resid   12 and name  HB1)
    or (resid   75 and name HD12) (resid   70 and name  HB2)
    or (resid   75 and name HD11) (resid   70 and name  HB2)
    or (resid   75 and name HD13) (resid   70 and name  HB2)
    or (resid   75 and name HD12) (resid   70 and name  HB1)
    or (resid   75 and name HD11) (resid   70 and name  HB1)
    or (resid   75 and name HD13) (resid   70 and name  HB1)
    or (resid    6 and name  HA2) (resid   80 and name HD12)
    or (resid    6 and name  HA2) (resid   80 and name HD11)
    or (resid    6 and name  HA2) (resid   80 and name HD13)
    or (resid    6 and name  HA1) (resid   80 and name HD12)
    or (resid    6 and name  HA1) (resid   80 and name HD11)
    or (resid    6 and name  HA1) (resid   80 and name HD13)
assign (resid    4 and name HD22) (resid    4 and name  HB2) 1.667 0.348 0.348 !13Cnoesy, no=1747, id=1593, vol=2.461900e+01
    or (resid    4 and name HD22) (resid    4 and name  HB1)
    or (resid    4 and name HD21) (resid    4 and name  HB2)
    or (resid    4 and name HD21) (resid    4 and name  HB1)
    or (resid    4 and name HD23) (resid    4 and name  HB2)
    or (resid    4 and name HD23) (resid    4 and name  HB1)
    or (resid    4 and name HD22) (resid    4 and name   HG)
    or (resid    4 and name HD21) (resid    4 and name   HG)
    or (resid    4 and name HD23) (resid    4 and name   HG)
    or (resid   64 and name HD22) (resid   64 and name   HG)
    or (resid   64 and name HD21) (resid   64 and name   HG)
    or (resid   64 and name HD23) (resid   64 and name   HG)
    or (resid   68 and name HD22) (resid   68 and name  HB2)
    or (resid   68 and name HD22) (resid   68 and name  HB1)
    or (resid   68 and name HD21) (resid   68 and name  HB2)
    or (resid   68 and name HD21) (resid   68 and name  HB1)
    or (resid   68 and name HD23) (resid   68 and name  HB2)
    or (resid   68 and name HD23) (resid   68 and name  HB1)
    or (resid   68 and name HD22) (resid   68 and name   HG)
    or (resid   68 and name HD21) (resid   68 and name   HG)
    or (resid   68 and name HD23) (resid   68 and name   HG)
assign (resid    4 and name HD22) (resid   21 and name   HB) 2.327 2.327 3.673 !13Cnoesy, no=1748, id=1594, vol=2.461900e+01
    or (resid    4 and name HD21) (resid   21 and name   HB)
    or (resid    4 and name HD23) (resid   21 and name   HB)
    or (resid   65 and name  HB2) (resid   64 and name HD22)
    or (resid   65 and name  HB2) (resid   64 and name HD21)
    or (resid   65 and name  HB2) (resid   64 and name HD23)
    or (resid   65 and name  HB1) (resid   64 and name HD22)
    or (resid   65 and name  HB1) (resid   64 and name HD21)
    or (resid   65 and name  HB1) (resid   64 and name HD23)
    or (resid   67 and name  HB2) (resid   64 and name HD22)
    or (resid   67 and name  HB2) (resid   64 and name HD21)
    or (resid   67 and name  HB2) (resid   64 and name HD23)
    or (resid   67 and name  HB1) (resid   64 and name HD22)
    or (resid   67 and name  HB1) (resid   64 and name HD21)
    or (resid   67 and name  HB1) (resid   64 and name HD23)
    or (resid   67 and name  HB2) (resid   68 and name HD22)
    or (resid   67 and name  HB2) (resid   68 and name HD21)
    or (resid   67 and name  HB2) (resid   68 and name HD23)
    or (resid   67 and name  HB1) (resid   68 and name HD22)
    or (resid   67 and name  HB1) (resid   68 and name HD21)
    or (resid   67 and name  HB1) (resid   68 and name HD23)
assign (resid   65 and name  HD2) (resid   64 and name HD22) 2.250 2.250 3.750 !13Cnoesy, no=1751, id=1597, vol=2.461900e+01
    or (resid   65 and name  HD2) (resid   64 and name HD21)
    or (resid   65 and name  HD2) (resid   64 and name HD23)
    or (resid   65 and name  HD1) (resid   64 and name HD22)
    or (resid   65 and name  HD1) (resid   64 and name HD21)
    or (resid   65 and name  HD1) (resid   64 and name HD23)
    or (resid   67 and name  HD2) (resid   64 and name HD22)
    or (resid   67 and name  HD2) (resid   64 and name HD21)
    or (resid   67 and name  HD2) (resid   64 and name HD23)
    or (resid   67 and name  HD1) (resid   64 and name HD22)
    or (resid   67 and name  HD1) (resid   64 and name HD21)
    or (resid   67 and name  HD1) (resid   64 and name HD23)
    or (resid   71 and name  HB2) (resid   68 and name HD22)
    or (resid   71 and name  HB2) (resid   68 and name HD21)
    or (resid   71 and name  HB2) (resid   68 and name HD23)
    or (resid   71 and name  HB1) (resid   68 and name HD22)
    or (resid   71 and name  HB1) (resid   68 and name HD21)
    or (resid   71 and name  HB1) (resid   68 and name HD23)
assign (resid    4 and name HD22) (resid    2 and name  HB1) 2.665 0.888 0.888 !13Cnoesy, no=1752, id=1598, vol=2.461900e+01
    or (resid    4 and name HD21) (resid    2 and name  HB1)
    or (resid    4 and name HD23) (resid    2 and name  HB1)
    or (resid    4 and name HD22) (resid   27 and name  HB1)
    or (resid    4 and name HD21) (resid   27 and name  HB1)
    or (resid    4 and name HD23) (resid   27 and name  HB1)
    or (resid   64 and name HD22) (resid   60 and name  HB2)
    or (resid   64 and name HD21) (resid   60 and name  HB2)
    or (resid   64 and name HD23) (resid   60 and name  HB2)
assign (resid    4 and name HD22) (resid    2 and name   HA) 2.911 2.911 3.089 !13Cnoesy, no=1753, id=1599, vol=2.461900e+01
    or (resid    4 and name HD21) (resid    2 and name   HA)
    or (resid    4 and name HD23) (resid    2 and name   HA)
    or (resid   64 and name HD22) (resid   60 and name   HA)
    or (resid   64 and name HD21) (resid   60 and name   HA)
    or (resid   64 and name HD23) (resid   60 and name   HA)
    or (resid   71 and name   HA) (resid   68 and name HD22)
    or (resid   71 and name   HA) (resid   68 and name HD21)
    or (resid   71 and name   HA) (resid   68 and name HD23)
assign (resid   16 and name   HA) (resid    4 and name HD22) 3.333 3.333 2.667 !13Cnoesy, no=1754, id=1600, vol=2.461900e+01
    or (resid   16 and name   HA) (resid    4 and name HD21)
    or (resid   16 and name   HA) (resid    4 and name HD23)
    or (resid    4 and name HD22) (resid   19 and name   HA)
    or (resid    4 and name HD21) (resid   19 and name   HA)
    or (resid    4 and name HD23) (resid   19 and name   HA)
assign (resid   76 and name  HD2) (resid   77 and name  HG2) 3.563 1.587 1.587 !13Cnoesy, no=1758, id=1604, vol=2.496600e+01
    or (resid   76 and name  HD1) (resid   77 and name  HG2)
    or (resid   78 and name  HD2) (resid   77 and name  HG2)
    or (resid   78 and name  HD1) (resid   77 and name  HG2)
    or (resid   26 and name  HD2) (resid   74 and name  HG2)
    or (resid   26 and name  HD1) (resid   74 and name  HG2)
    or (resid   74 and name  HG2) (resid   30 and name  HB2)
assign (resid    3 and name  HB1) (resid    3 and name  HG1) 2.095 0.549 0.549 !13Cnoesy, no=1759, id=1605, vol=2.490500e+01
    or (resid    7 and name  HB2) (resid    7 and name  HG1)
    or (resid   77 and name  HB2) (resid   77 and name  HG1)
assign (resid   24 and name  HG2) (resid    6 and name  HA2) 4.526 2.561 2.561 !13Cnoesy, no=1762, id=1608, vol=2.656800e+01
    or (resid   24 and name  HG2) (resid    6 and name  HA1)
    or (resid   24 and name  HG2) (resid   27 and name  HB1)
assign (resid   24 and name  HG2) (resid   27 and name  HE3) 4.351 2.367 2.367 !13Cnoesy, no=1763, id=1609, vol=2.656300e+01
    or (resid   24 and name  HG2) (resid   27 and name  HZ2)
assign (resid   11 and name  HG2) (resid   69 and name  HB2) 4.433 2.456 2.456 !13Cnoesy, no=1767, id=1613, vol=2.736100e+01
    or (resid   11 and name  HG2) (resid   69 and name  HB1)
    or (resid   11 and name  HG2) (resid   69 and name  HB3)
    or (resid   11 and name  HG1) (resid   69 and name  HB2)
    or (resid   11 and name  HG1) (resid   69 and name  HB1)
    or (resid   11 and name  HG1) (resid   69 and name  HB3)
    or (resid   11 and name  HG2) (resid   72 and name   HG)
    or (resid   11 and name  HG1) (resid   72 and name   HG)
assign (resid   17 and name  HG1) (resid   14 and name  HB2) 4.433 2.456 2.456 !13Cnoesy, no=1768, id=1614, vol=2.748900e+01
    or (resid   14 and name  HB1) (resid   17 and name  HG1)
    or (resid   17 and name  HG1) (resid   16 and name  HB2)
    or (resid   35 and name  HB2) (resid   17 and name  HG1)
assign (resid   17 and name  HG2) (resid   14 and name  HB2) 4.698 2.759 2.759 !13Cnoesy, no=1769, id=1615, vol=2.740600e+01
    or (resid   16 and name  HB2) (resid   17 and name  HG2)
assign (resid   65 and name  HG1) (resid   48 and name HD22) 2.246 0.631 0.931 !13Cnoesy, no=1770, id=1616, vol=2.743500e+01
    or (resid   65 and name  HG1) (resid   48 and name HD21)
    or (resid   65 and name  HG1) (resid   48 and name HD23)
    or (resid   73 and name  HG1) (resid   72 and name HD22)
    or (resid   73 and name  HG1) (resid   72 and name HD21)
    or (resid   73 and name  HG1) (resid   72 and name HD23)
    or (resid   76 and name  HG1) (resid   72 and name HD12)
    or (resid   76 and name  HG1) (resid   72 and name HD11)
    or (resid   76 and name  HG1) (resid   72 and name HD13)
assign (resid   26 and name  HB2) (resid   23 and name HG22) 4.010 2.010 2.410 !13Cnoesy, no=1776, id=1622, vol=2.939400e+01
    or (resid   26 and name  HB2) (resid   23 and name HG21)
    or (resid   26 and name  HB2) (resid   23 and name HG23)
    or (resid   26 and name  HB2) (resid   24 and name  HG1)
assign (resid   74 and name  HD1) (resid   26 and name  HD2) 3.656 1.671 1.671 !13Cnoesy, no=1779, id=1625, vol=2.905200e+01
    or (resid   74 and name  HD1) (resid   26 and name  HD1)
    or (resid   74 and name  HD1) (resid   73 and name  HD2)
    or (resid   74 and name  HD1) (resid   73 and name  HD1)
    or (resid   77 and name  HD1) (resid   73 and name  HD2)
    or (resid   77 and name  HD1) (resid   73 and name  HD1)
    or (resid   77 and name  HD1) (resid   76 and name  HD2)
    or (resid   77 and name  HD1) (resid   76 and name  HD1)
    or (resid   77 and name  HD1) (resid   78 and name  HD2)
    or (resid   77 and name  HD1) (resid   78 and name  HD1)
assign (resid    4 and name HD22) (resid   74 and name  HD1) 3.003 1.127 1.527 !13Cnoesy, no=1782, id=1628, vol=2.925900e+01
    or (resid    4 and name HD21) (resid   74 and name  HD1)
    or (resid    4 and name HD23) (resid   74 and name  HD1)
    or (resid   74 and name  HD1) (resid    4 and name HD12)
    or (resid   74 and name  HD1) (resid    4 and name HD11)
    or (resid   74 and name  HD1) (resid    4 and name HD13)
    or (resid   72 and name HD22) (resid   74 and name  HD1)
    or (resid   72 and name HD21) (resid   74 and name  HD1)
    or (resid   72 and name HD23) (resid   74 and name  HD1)
    or (resid   75 and name HD22) (resid   74 and name  HD1)
    or (resid   75 and name HD21) (resid   74 and name  HD1)
    or (resid   75 and name HD23) (resid   74 and name  HD1)
    or (resid   74 and name  HD1) (resid   75 and name HD12)
    or (resid   74 and name  HD1) (resid   75 and name HD11)
    or (resid   74 and name  HD1) (resid   75 and name HD13)
    or (resid   77 and name  HD2) (resid    4 and name HD12)
    or (resid   77 and name  HD2) (resid    4 and name HD11)
    or (resid   77 and name  HD2) (resid    4 and name HD13)
    or (resid   72 and name HD22) (resid   77 and name  HD2)
    or (resid   72 and name HD21) (resid   77 and name  HD2)
    or (resid   72 and name HD23) (resid   77 and name  HD2)
    or (resid   72 and name HD12) (resid   77 and name  HD2)
    or (resid   72 and name HD11) (resid   77 and name  HD2)
    or (resid   72 and name HD13) (resid   77 and name  HD2)
    or (resid   77 and name  HD2) (resid   80 and name HD22)
    or (resid   77 and name  HD2) (resid   80 and name HD21)
    or (resid   77 and name  HD2) (resid   80 and name HD23)
    or (resid   77 and name  HD2) (resid   80 and name HD12)
    or (resid   77 and name  HD2) (resid   80 and name HD11)
    or (resid   77 and name  HD2) (resid   80 and name HD13)
assign (resid   76 and name  HB2) (resid   76 and name  HD2) 2.241 0.628 0.628 !13Cnoesy, no=1785, id=1631, vol=3.060500e+01
    or (resid   76 and name  HB2) (resid   76 and name  HD1)
    or (resid   78 and name  HB2) (resid   78 and name  HD2)
    or (resid   78 and name  HB2) (resid   78 and name  HD1)
assign (resid   78 and name  HB2) (resid   78 and name  HG2) 1.790 0.400 0.400 !13Cnoesy, no=1788, id=1634, vol=3.061200e+01
    or (resid   78 and name  HB2) (resid   78 and name  HG1)
    or (resid   33 and name  HB2) (resid   33 and name  HD2)
    or (resid   33 and name  HB2) (resid   33 and name  HD1)
    or (resid   76 and name  HB2) (resid   76 and name  HG1)
assign (resid   72 and name HD22) (resid   76 and name  HB2) 2.681 0.899 0.899 !13Cnoesy, no=1789, id=1635, vol=3.062400e+01
    or (resid   72 and name HD21) (resid   76 and name  HB2)
    or (resid   72 and name HD23) (resid   76 and name  HB2)
    or (resid   72 and name HD12) (resid   76 and name  HB2)
    or (resid   72 and name HD11) (resid   76 and name  HB2)
    or (resid   72 and name HD13) (resid   76 and name  HB2)
    or (resid   76 and name  HB2) (resid   75 and name HD22)
    or (resid   76 and name  HB2) (resid   75 and name HD21)
    or (resid   76 and name  HB2) (resid   75 and name HD23)
    or (resid   76 and name  HB2) (resid   75 and name HD12)
    or (resid   76 and name  HB2) (resid   75 and name HD11)
    or (resid   76 and name  HB2) (resid   75 and name HD13)
assign (resid   33 and name  HB2) (resid   33 and name   HA) 2.248 0.632 0.632 !13Cnoesy, no=1791, id=1637, vol=3.066800e+01
    or (resid   78 and name   HA) (resid   78 and name  HB2)
assign (resid   11 and name  HB1) (resid    8 and name HG21) 4.246 2.254 2.254 !13Cnoesy, no=1792, id=1638, vol=3.203100e+01
    or (resid   11 and name  HB1) (resid    8 and name HG22)
    or (resid   11 and name  HB1) (resid    8 and name HG23)
    or (resid   11 and name  HB1) (resid   24 and name  HB2)
assign (resid   24 and name  HB1) (resid   25 and name   HA) 3.554 1.579 1.579 !13Cnoesy, no=1799, id=1645, vol=3.220900e+01
    or (resid   24 and name  HB1) (resid   27 and name  HB1)
assign (resid   23 and name   HB) (resid   41 and name  HG2) 3.989 1.989 2.189 !13Cnoesy, no=1801, id=1647, vol=3.386800e+01
    or (resid   17 and name  HG2) (resid   23 and name   HB)
    or (resid   23 and name   HB) (resid   21 and name   HB)
assign (resid   29 and name  HB2) (resid   28 and name  HB1) 4.279 2.289 2.289 !13Cnoesy, no=1806, id=1652, vol=3.426000e+01
    or (resid   29 and name  HB2) (resid   65 and name  HB2)
    or (resid   29 and name  HB2) (resid   65 and name  HB1)
assign (resid   29 and name  HB2) (resid   31 and name  HA1) 4.314 2.327 2.327 !13Cnoesy, no=1807, id=1653, vol=3.425100e+01
    or (resid   29 and name  HB2) (resid   62 and name   HA)
assign (resid   29 and name  HB1) (resid   31 and name  HA1) 4.433 2.456 2.456 !13Cnoesy, no=1809, id=1655, vol=3.442100e+01
    or (resid   29 and name  HB1) (resid   62 and name   HA)
assign (resid   33 and name  HE2) (resid   41 and name  HG2) 4.314 2.327 2.327 !13Cnoesy, no=1812, id=1658, vol=3.677800e+01
    or (resid   33 and name  HE1) (resid   41 and name  HG2)
    or (resid   41 and name  HG2) (resid   35 and name  HB2)
assign (resid   50 and name  HB1) (resid   49 and name   HA) 3.667 1.681 1.681 !13Cnoesy, no=1813, id=1659, vol=3.886800e+01
    or (resid   51 and name   HA) (resid   50 and name  HB1)
assign (resid   50 and name  HB2) (resid   43 and name HG11) 4.314 2.327 2.327 !13Cnoesy, no=1815, id=1661, vol=3.889800e+01
    or (resid   50 and name  HB2) (resid   44 and name  HB2)
    or (resid   50 and name  HB2) (resid   44 and name  HB1)
    or (resid   50 and name  HB2) (resid   44 and name  HB3)
assign (resid   50 and name  HB1) (resid   45 and name  HB2) 4.635 2.686 2.686 !13Cnoesy, no=1817, id=1663, vol=3.890000e+01
    or (resid   50 and name  HB1) (resid   45 and name  HB1)
    or (resid   50 and name  HB1) (resid   45 and name  HB3)
    or (resid   50 and name  HB1) (resid   52 and name HG21)
    or (resid   50 and name  HB1) (resid   52 and name HG22)
    or (resid   50 and name  HB1) (resid   52 and name HG23)
assign (resid   50 and name  HB2) (resid   45 and name  HB2) 4.635 2.686 2.686 !13Cnoesy, no=1818, id=1664, vol=3.891100e+01
    or (resid   50 and name  HB2) (resid   45 and name  HB1)
    or (resid   50 and name  HB2) (resid   45 and name  HB3)
    or (resid   50 and name  HB2) (resid   52 and name HG21)
    or (resid   50 and name  HB2) (resid   52 and name HG22)
    or (resid   50 and name  HB2) (resid   52 and name HG23)
!assign (resid   50 and name  HB1) (resid   44 and name   HA) 4.314 2.327 2.727 !13Cnoesy, no=1820, id=1666, vol=3.878700e+01
!    or (resid   50 and name  HB1) (resid   46 and name  HA1)
assign (resid   50 and name  HB2) (resid   44 and name   HA) 4.478 2.506 2.506 !13Cnoesy, no=1821, id=1667, vol=3.885500e+01
    or (resid   50 and name  HB2) (resid   46 and name  HA1)
    or (resid   50 and name  HB2) (resid   48 and name   HA)
assign (resid   26 and name   HA) (resid   28 and name  HB2) 4.246 2.254 2.254 !13Cnoesy, no=1825, id=1671, vol=4.034600e+01
    or (resid   45 and name   HA) (resid   28 and name  HB2)
    or (resid   28 and name  HB2) (resid   48 and name   HA)
assign (resid   28 and name  HB1) (resid   34 and name  HB2) 4.130 2.132 2.132 !13Cnoesy, no=1827, id=1673, vol=4.023300e+01
    or (resid   40 and name  HB2) (resid   28 and name  HB1)
assign (resid   28 and name  HB1) (resid   30 and name  HB2) 4.032 2.032 2.032 !13Cnoesy, no=1828, id=1674, vol=4.021900e+01
    or (resid   65 and name  HD2) (resid   28 and name  HB1)
    or (resid   65 and name  HD1) (resid   28 and name  HB1)
assign (resid   28 and name  HB1) (resid   14 and name  HB1) 4.032 2.032 2.032 !13Cnoesy, no=1829, id=1675, vol=4.017900e+01
    or (resid   28 and name  HB1) (resid   27 and name  HB2)
assign (resid   47 and name  HB1) (resid   28 and name  HB2) 4.055 2.056 2.056 !13Cnoesy, no=1830, id=1676, vol=4.017900e+01
    or (resid   28 and name  HB2) (resid   14 and name  HB1)
assign (resid   37 and name  HB1) (resid   17 and name  HG2) 4.526 2.561 2.561 !13Cnoesy, no=1840, id=1686, vol=4.069700e+01
    or (resid   37 and name  HB1) (resid   33 and name  HB1)
    or (resid   37 and name  HB1) (resid   41 and name  HG2)
assign (resid    4 and name HD12) (resid   40 and name  HB2) 4.279 2.289 2.289 !13Cnoesy, no=1842, id=1688, vol=4.073800e+01
    or (resid    4 and name HD11) (resid   40 and name  HB2)
    or (resid    4 and name HD13) (resid   40 and name  HB2)
    or (resid   28 and name HD22) (resid   40 and name  HB2)
    or (resid   28 and name HD21) (resid   40 and name  HB2)
    or (resid   28 and name HD23) (resid   40 and name  HB2)
assign (resid   40 and name  HB2) (resid    4 and name   HG) 4.391 2.410 2.410 !13Cnoesy, no=1843, id=1689, vol=4.059400e+01
    or (resid   40 and name  HB2) (resid   28 and name  HB2)
    or (resid   40 and name  HB2) (resid   44 and name  HB2)
    or (resid   40 and name  HB2) (resid   44 and name  HB1)
    or (resid   40 and name  HB2) (resid   44 and name  HB3)
assign (resid    3 and name  HE2) (resid    3 and name  HG2) 2.791 0.974 0.974 !13Cnoesy, no=1845, id=1691, vol=4.152500e+01
    or (resid    3 and name  HG1) (resid    3 and name  HE2)
    or (resid   74 and name  HE1) (resid   74 and name  HG2)
assign (resid   77 and name  HB2) (resid   77 and name  HE1) 3.060 1.171 1.171 !13Cnoesy, no=1846, id=1692, vol=4.137800e+01
    or (resid   77 and name  HE1) (resid   77 and name  HB1)
assign (resid   74 and name  HE1) (resid   26 and name   HA) 3.812 1.817 1.817 !13Cnoesy, no=1849, id=1695, vol=4.142200e+01
    or (resid   74 and name  HE1) (resid   31 and name  HA1)
    or (resid   74 and name  HE1) (resid   67 and name   HA)
    or (resid   74 and name  HE1) (resid   70 and name   HA)
    or (resid   74 and name  HE1) (resid   75 and name   HA)
assign (resid    3 and name  HB2) (resid    3 and name  HE1) 3.328 1.384 1.384 !13Cnoesy, no=1851, id=1697, vol=4.152500e+01
    or (resid    3 and name  HE1) (resid    3 and name  HB1)
assign (resid    3 and name  HE1) (resid    3 and name   HA) 4.246 2.254 2.254 !13Cnoesy, no=1852, id=1698, vol=4.163500e+01
    or (resid    4 and name   HA) (resid    7 and name  HE2)
    or (resid    5 and name   HA) (resid    7 and name  HE2)
assign (resid   30 and name  HB2) (resid   26 and name  HB2) 4.157 2.160 2.160 !13Cnoesy, no=1854, id=1700, vol=4.188000e+01
    or (resid   74 and name  HB2) (resid   30 and name  HB2)
    or (resid   74 and name  HB1) (resid   30 and name  HB2)
assign (resid   30 and name  HB2) (resid   70 and name   HA) 4.279 2.289 2.289 !13Cnoesy, no=1855, id=1701, vol=4.185300e+01
    or (resid   30 and name  HB2) (resid   26 and name   HA)
    or (resid   30 and name  HB2) (resid   31 and name  HA1)
assign (resid   66 and name   HA) (resid   30 and name  HB2) 4.215 2.221 2.221 !13Cnoesy, no=1856, id=1702, vol=4.186700e+01
    or (resid   70 and name  HB2) (resid   30 and name  HB2)
    or (resid   70 and name  HB1) (resid   30 and name  HB2)
assign (resid   30 and name  HB1) (resid   27 and name  HB1) 4.391 2.410 2.410 !13Cnoesy, no=1858, id=1704, vol=4.185700e+01
    or (resid   30 and name  HB1) (resid   70 and name  HB2)
assign (resid   30 and name  HB1) (resid    4 and name HD22) 4.351 2.367 2.367 !13Cnoesy, no=1859, id=1705, vol=4.205800e+01
    or (resid   30 and name  HB1) (resid    4 and name HD21)
    or (resid   30 and name  HB1) (resid    4 and name HD23)
    or (resid   30 and name  HB1) (resid    4 and name HD12)
    or (resid   30 and name  HB1) (resid    4 and name HD11)
    or (resid   30 and name  HB1) (resid    4 and name HD13)
    or (resid   30 and name  HB1) (resid   28 and name HD22)
    or (resid   30 and name  HB1) (resid   28 and name HD21)
    or (resid   30 and name  HB1) (resid   28 and name HD23)
    or (resid   30 and name  HB1) (resid   48 and name HD22)
    or (resid   30 and name  HB1) (resid   48 and name HD21)
    or (resid   30 and name  HB1) (resid   48 and name HD23)
    or (resid   30 and name  HB1) (resid   64 and name HD12)
    or (resid   30 and name  HB1) (resid   64 and name HD11)
    or (resid   30 and name  HB1) (resid   64 and name HD13)
    or (resid   30 and name  HB1) (resid   68 and name HD12)
    or (resid   30 and name  HB1) (resid   68 and name HD11)
    or (resid   30 and name  HB1) (resid   68 and name HD13)
    or (resid   30 and name  HB1) (resid   75 and name HD22)
    or (resid   30 and name  HB1) (resid   75 and name HD21)
    or (resid   30 and name  HB1) (resid   75 and name HD23)
    or (resid   30 and name  HB1) (resid   75 and name HD12)
    or (resid   30 and name  HB1) (resid   75 and name HD11)
    or (resid   30 and name  HB1) (resid   75 and name HD13)
    or (resid   32 and name  HB1) (resid    4 and name HD22)
    or (resid   32 and name  HB1) (resid    4 and name HD21)
    or (resid   32 and name  HB1) (resid    4 and name HD23)
    or (resid   32 and name  HB1) (resid    4 and name HD12)
    or (resid   32 and name  HB1) (resid    4 and name HD11)
    or (resid   32 and name  HB1) (resid    4 and name HD13)
assign (resid   30 and name  HB1) (resid   26 and name  HB2) 4.157 2.160 2.160 !13Cnoesy, no=1860, id=1706, vol=4.219900e+01
    or (resid   30 and name  HB1) (resid   74 and name  HB2)
    or (resid   30 and name  HB1) (resid   74 and name  HB1)
    or (resid   32 and name  HB1) (resid   33 and name  HB2)
assign (resid   64 and name  HB2) (resid   63 and name  HG2) 4.010 2.010 2.010 !13Cnoesy, no=1862, id=1708, vol=4.178800e+01
    or (resid   64 and name  HB2) (resid   63 and name  HG1)
assign (resid   64 and name  HB1) (resid   62 and name  HG2) 4.079 2.080 2.080 !13Cnoesy, no=1863, id=1709, vol=4.185900e+01
    or (resid   64 and name  HB1) (resid   62 and name  HG1)
    or (resid   64 and name  HB1) (resid   63 and name  HG2)
    or (resid   64 and name  HB1) (resid   63 and name  HG1)
    or (resid   72 and name  HB1) (resid   11 and name  HB1)
assign (resid   72 and name   HA) (resid   72 and name  HB1) 2.161 0.584 0.584 !13Cnoesy, no=1865, id=1711, vol=4.183600e+01
    or (resid   64 and name   HA) (resid   64 and name  HB1)
assign (resid   48 and name  HB2) (resid   43 and name   HB) 3.912 1.913 1.913 !13Cnoesy, no=1873, id=1719, vol=4.268100e+01
    or (resid   48 and name  HB1) (resid   43 and name   HB)
    or (resid   48 and name  HB2) (resid   65 and name  HB2)
    or (resid   48 and name  HB2) (resid   65 and name  HB1)
    or (resid   48 and name  HB1) (resid   65 and name  HB2)
    or (resid   48 and name  HB1) (resid   65 and name  HB1)
assign (resid   14 and name  HB2) (resid   25 and name  HG2) 3.783 1.789 1.789 !13Cnoesy, no=1875, id=1721, vol=4.318200e+01
    or (resid   14 and name  HB2) (resid   25 and name  HG1)
    or (resid   34 and name  HB1) (resid   23 and name   HB)
assign (resid   28 and name  HB1) (resid   14 and name  HB1) 4.104 2.105 2.105 !13Cnoesy, no=1876, id=1722, vol=4.312300e+01
    or (resid   28 and name   HG) (resid   14 and name  HB1)
assign (resid   21 and name HG12) (resid   14 and name  HD1) 3.742 3.742 2.258 !13Cnoesy, no=1881, id=1726, vol=2.130000e+01
    or (resid   21 and name HG12) (resid   14 and name  HD2)
    or (resid   21 and name HG11) (resid   14 and name  HD1)
    or (resid   21 and name HG11) (resid   14 and name  HD2)
    or (resid   21 and name HG13) (resid   14 and name  HD1)
    or (resid   21 and name HG13) (resid   14 and name  HD2)
    or (resid   21 and name HG12) (resid   14 and name   HZ)
    or (resid   21 and name HG11) (resid   14 and name   HZ)
    or (resid   21 and name HG13) (resid   14 and name   HZ)
    or (resid   66 and name HG12) (resid   49 and name  HD1)
    or (resid   66 and name HG12) (resid   49 and name  HD2)
    or (resid   66 and name HG11) (resid   49 and name  HD1)
    or (resid   66 and name HG11) (resid   49 and name  HD2)
    or (resid   66 and name HG13) (resid   49 and name  HD1)
    or (resid   66 and name HG13) (resid   49 and name  HD2)
assign (resid   21 and name HG22) (resid   20 and name  HD2) 3.469 1.504 1.504 !13Cnoesy, no=1882, id=1727, vol=2.155700e+01
    or (resid   21 and name HG21) (resid   20 and name  HD2)
    or (resid   21 and name HG23) (resid   20 and name  HD2)
    or (resid   21 and name HG12) (resid   20 and name  HD2)
    or (resid   21 and name HG11) (resid   20 and name  HD2)
    or (resid   21 and name HG13) (resid   20 and name  HD2)
assign (resid   23 and name HG22) (resid   25 and name   HA) 3.247 1.318 1.318 !13Cnoesy, no=1883, id=1728, vol=5.935700e+01
    or (resid   23 and name HG21) (resid   25 and name   HA)
    or (resid   23 and name HG23) (resid   25 and name   HA)
    or (resid   24 and name  HB2) (resid   25 and name   HA)
    or (resid   25 and name   HA) (resid   45 and name  HB2)
    or (resid   25 and name   HA) (resid   45 and name  HB1)
    or (resid   25 and name   HA) (resid   45 and name  HB3)
assign (resid   25 and name   HA) (resid   26 and name  HG2) 3.094 1.197 1.197 !13Cnoesy, no=1884, id=1729, vol=5.935700e+01
    or (resid   25 and name   HA) (resid   26 and name  HG1)
    or (resid   28 and name  HB2) (resid   25 and name   HA)
    or (resid   69 and name  HB2) (resid   25 and name   HA)
    or (resid   69 and name  HB1) (resid   25 and name   HA)
    or (resid   69 and name  HB3) (resid   25 and name   HA)
assign (resid    7 and name  HG1) (resid    9 and name   HA) 4.279 2.289 2.289 !13Cnoesy, no=1886, id=1731, vol=2.474500e+01
    or (resid    7 and name  HG1) (resid   23 and name   HA)
assign (resid    7 and name  HG2) (resid    9 and name   HA) 4.215 2.221 2.221 !13Cnoesy, no=1887, id=1732, vol=2.471200e+01
    or (resid    7 and name  HG2) (resid   23 and name   HA)
assign (resid   21 and name HG22) (resid   20 and name  HE1) 3.510 1.540 1.540 !13Cnoesy, no=1889, id=1734, vol=2.156900e+01
    or (resid   21 and name HG21) (resid   20 and name  HE1)
    or (resid   21 and name HG23) (resid   20 and name  HE1)
    or (resid   20 and name  HE1) (resid   21 and name HG12)
    or (resid   20 and name  HE1) (resid   21 and name HG11)
    or (resid   20 and name  HE1) (resid   21 and name HG13)
assign (resid    2 and name  HB1) (resid    3 and name  HB2) 3.783 1.789 1.789 !13Cnoesy, no=1900, id=1745, vol=3.293700e+01
    or (resid    7 and name  HB2) (resid    6 and name  HA2)
    or (resid    7 and name  HB2) (resid    6 and name  HA1)
assign (resid   76 and name  HG1) (resid   76 and name   HA) 1.919 0.460 0.960 !13Cnoesy, no=1903, id=1748, vol=5.661300e+01
    or (resid   77 and name   HA) (resid   77 and name  HB2)
    or (resid   77 and name  HB1) (resid   77 and name   HA)
assign (resid   14 and name  HE1) (resid   33 and name  HE2) 4.279 2.289 2.289 !13Cnoesy, no=1904, id=1749, vol=4.193900e+01
    or (resid   14 and name  HE1) (resid   33 and name  HE1)
    or (resid   14 and name  HE2) (resid   33 and name  HE2)
    or (resid   14 and name  HE2) (resid   33 and name  HE1)
    or (resid    7 and name  HE2) (resid   27 and name  HE3)
assign (resid   70 and name  HB1) (resid   71 and name  HD2) 4.766 2.840 2.840 !13Cnoesy, no=1906, id=1751, vol=1.193080e+02
    or (resid   71 and name  HD2) (resid   12 and name  HB2)
    or (resid   71 and name  HD2) (resid   12 and name  HB1)
assign (resid   23 and name   HN) (resid   14 and name  HB1) 2.998 1.123 1.123 !15Nnoesy, no=51, id=1766, vol=1.199550e+02
    or (resid   23 and name   HN) (resid   16 and name  HB2)
    or (resid   23 and name   HN) (resid   22 and name  HB1)
assign (resid   34 and name   HN) (resid   27 and name  HE3) 3.535 3.535 2.965 !15Nnoesy, no=53, id=1768, vol=1.288680e+02
    or (resid   34 and name   HN) (resid   42 and name   HN)
assign (resid   27 and name  HE1) (resid   76 and name   HN) 3.052 3.052 3.448 !15Nnoesy, no=61, id=1776, vol=1.262130e+02
    or (resid   27 and name  HE1) (resid   27 and name   HN)
assign (resid   31 and name   HN) (resid   29 and name  HB2) 3.903 1.904 1.904 !15Nnoesy, no=68, id=1782, vol=1.115230e+02
    or (resid   31 and name   HN) (resid   30 and name  HB2)
assign (resid   29 and name   HN) (resid   32 and name   HN) 3.106 3.106 3.394 !15Nnoesy, no=74, id=1788, vol=1.202240e+02
    or (resid   29 and name   HN) (resid   41 and name   HN)
assign (resid   29 and name   HN) (resid   42 and name   HN) 3.098 3.098 3.402 !15Nnoesy, no=75, id=1789, vol=1.201770e+02
    or (resid   29 and name   HN) (resid   47 and name   HN)
assign (resid   43 and name   HN) (resid   42 and name   HN) 3.082 1.187 1.187 !15Nnoesy, no=76, id=1790, vol=1.209080e+02
    or (resid   43 and name   HN) (resid   45 and name   HN)
    or (resid   43 and name   HN) (resid   47 and name   HN)
assign (resid   62 and name   HN) (resid   61 and name   HB) 3.031 1.148 1.148 !15Nnoesy, no=88, id=1802, vol=1.220090e+02
    or (resid   62 and name   HN) (resid   61 and name   HA)
assign (resid   62 and name   HN) (resid   62 and name  HG2) 3.515 1.544 1.544 !15Nnoesy, no=89, id=1803, vol=1.221110e+02
    or (resid   62 and name   HN) (resid   62 and name  HG1)
    or (resid   62 and name   HN) (resid   63 and name  HG2)
assign (resid   40 and name   HN) (resid   38 and name  HA1) 3.218 1.294 1.294 !15Nnoesy, no=105, id=1819, vol=1.106710e+02
    or (resid   40 and name   HN) (resid   39 and name   HA)
assign (resid   40 and name   HN) (resid   40 and name   HA) 2.746 0.943 0.943 !15Nnoesy, no=106, id=1820, vol=2.360000e+09
    or (resid   40 and name   HN) (resid   35 and name  HB1)
assign (resid   40 and name   HN) (resid   16 and name  HB2) 2.732 2.732 3.768 !15Nnoesy, no=107, id=1821, vol=1.107100e+02
    or (resid   40 and name   HN) (resid   34 and name  HB1)
assign (resid   14 and name   HN) (resid   14 and name  HB2) 2.694 0.907 0.907 !15Nnoesy, no=112, id=1826, vol=1.245800e+02
    or (resid   14 and name   HN) (resid   14 and name  HB1)
assign (resid   35 and name   HN) (resid   34 and name  HB2) 2.736 0.935 0.935 !15Nnoesy, no=122, id=1836, vol=1.174490e+02
    or (resid   35 and name   HN) (resid   40 and name  HB1)
assign (resid   35 and name   HN) (resid   33 and name  HB2) 2.955 1.091 1.141 !15Nnoesy, no=123, id=1837, vol=1.174880e+02
    or (resid   35 and name   HN) (resid   39 and name  HB2)
    or (resid   35 and name   HN) (resid   39 and name  HB1)
    or (resid   35 and name   HN) (resid   39 and name  HB3)
assign (resid   27 and name   HN) (resid   25 and name   HA) 2.932 1.075 1.075 !15Nnoesy, no=128, id=1842, vol=1.175550e+02
    or (resid   27 and name   HN) (resid   27 and name  HB1)
assign (resid   27 and name   HN) (resid   26 and name  HB1) 2.764 0.955 0.955 !15Nnoesy, no=130, id=1844, vol=1.175080e+02
    or (resid   27 and name   HN) (resid   28 and name  HB1)
assign (resid   27 and name   HN) (resid   73 and name  HG2) 3.442 3.442 3.058 !15Nnoesy, no=131, id=1845, vol=1.175470e+02
    or (resid   27 and name   HN) (resid    4 and name   HG)
    or (resid   27 and name   HN) (resid   65 and name  HG2)
assign (resid   26 and name   HN) (resid   25 and name  HB2) 2.500 0.781 0.781 !15Nnoesy, no=135, id=1849, vol=1.155220e+02
    or (resid   26 and name   HN) (resid   26 and name  HB1)
assign (resid   28 and name   HN) (resid   25 and name   HA) 3.285 1.349 1.349 !15Nnoesy, no=147, id=1861, vol=1.262130e+02
    or (resid   28 and name   HN) (resid   27 and name  HB1)
assign (resid   28 and name   HN) (resid   23 and name HG22) 3.228 1.303 1.303 !15Nnoesy, no=149, id=1863, vol=1.262130e+02
    or (resid   28 and name   HN) (resid   23 and name HG21)
    or (resid   28 and name   HN) (resid   23 and name HG23)
    or (resid   28 and name   HN) (resid   24 and name  HB2)
assign (resid   28 and name   HN) (resid   14 and name   HN) 3.793 3.793 2.707 !15Nnoesy, no=151, id=1865, vol=1.262130e+02
    or (resid   28 and name   HN) (resid   23 and name   HN)
assign (resid   28 and name   HN) (resid   47 and name   HN) 3.600 3.600 2.900 !15Nnoesy, no=152, id=1866, vol=1.262130e+02
    or (resid   28 and name   HN) (resid   27 and name  HE3)
assign (resid   13 and name   HN) (resid   11 and name  HG2) 3.556 1.580 1.680 !15Nnoesy, no=168, id=1881, vol=1.148310e+02
    or (resid   13 and name   HN) (resid   11 and name  HG1)
    or (resid   13 and name   HN) (resid   24 and name  HB1)
assign (resid   29 and name   HN) (resid   41 and name   HN) 3.410 3.410 3.090 !15Nnoesy, no=172, id=1885, vol=1.153910e+02
    or (resid   41 and name   HN) (resid   43 and name   HN)
assign (resid   41 and name   HN) (resid   35 and name   HN) 3.168 1.254 1.254 !15Nnoesy, no=174, id=1887, vol=1.154320e+02
    or (resid   41 and name   HN) (resid   38 and name   HN)
assign (resid   41 and name   HN) (resid   33 and name  HG2) 3.337 1.392 1.392 !15Nnoesy, no=181, id=1894, vol=1.154210e+02
    or (resid   41 and name   HN) (resid   45 and name  HB2)
    or (resid   41 and name   HN) (resid   45 and name  HB1)
    or (resid   41 and name   HN) (resid   45 and name  HB3)
assign (resid   42 and name   HN) (resid   41 and name  HG1) 2.916 1.063 1.063 !15Nnoesy, no=187, id=1900, vol=1.157350e+02
    or (resid   42 and name   HN) (resid   47 and name  HB2)
assign (resid   42 and name   HN) (resid   17 and name  HG2) 2.991 2.991 3.509 !15Nnoesy, no=188, id=1901, vol=1.156550e+02
    or (resid   42 and name   HN) (resid   41 and name  HG2)
assign (resid   47 and name   HN) (resid   28 and name  HB2) 3.410 1.453 1.453 !15Nnoesy, no=196, id=1909, vol=1.173480e+02
    or (resid   47 and name   HN) (resid   43 and name HG11)
    or (resid   47 and name   HN) (resid   44 and name  HB2)
    or (resid   47 and name   HN) (resid   44 and name  HB1)
    or (resid   47 and name   HN) (resid   44 and name  HB3)
assign (resid   41 and name   HN) (resid   45 and name   HN) 3.114 3.114 3.386 !15Nnoesy, no=201, id=1914, vol=1.186290e+02
    or (resid   45 and name   HN) (resid   50 and name HD21)
assign (resid   45 and name   HN) (resid   44 and name   HA) 2.292 0.657 0.657 !15Nnoesy, no=202, id=1915, vol=1.186460e+02
    or (resid   45 and name   HN) (resid   45 and name   HA)
assign (resid   45 and name   HN) (resid   40 and name   HA) 3.059 1.170 1.170 !15Nnoesy, no=203, id=1916, vol=1.186650e+02
    or (resid   45 and name   HN) (resid   46 and name  HA2)
assign (resid   72 and name   HN) (resid   72 and name  HB2) 2.798 0.978 0.978 !15Nnoesy, no=222, id=1934, vol=1.192640e+02
    or (resid   73 and name   HN) (resid   72 and name  HB2)
    or (resid   73 and name   HN) (resid   73 and name  HG2)
    or (resid   74 and name   HN) (resid   26 and name  HG2)
    or (resid   74 and name   HN) (resid   26 and name  HG1)
assign (resid   65 and name   HN) (resid   64 and name   HA) 2.657 0.882 0.882 !15Nnoesy, no=224, id=1936, vol=1.192170e+02
    or (resid   65 and name   HN) (resid   65 and name   HA)
assign (resid   65 and name   HN) (resid   64 and name  HB1) 2.627 0.863 0.863 !15Nnoesy, no=226, id=1938, vol=1.192070e+02
    or (resid   65 and name   HN) (resid   65 and name  HG1)
assign (resid   49 and name   HN) (resid   47 and name  HB1) 2.991 1.118 1.118 !15Nnoesy, no=233, id=1945, vol=1.192040e+02
    or (resid   49 and name   HN) (resid   49 and name  HB2)
assign (resid   63 and name   HN) (resid   62 and name   HA) 2.484 0.771 0.771 !15Nnoesy, no=236, id=1948, vol=1.198350e+02
    or (resid   63 and name   HN) (resid   63 and name   HA)
assign (resid   14 and name   HN) (resid   15 and name   HN) 2.657 2.657 3.843 !15Nnoesy, no=244, id=1956, vol=1.212620e+02
    or (resid   15 and name   HN) (resid   23 and name   HN)
assign (resid   15 and name   HN) (resid   21 and name HG22) 3.350 3.350 3.150 !15Nnoesy, no=249, id=1961, vol=1.213690e+02
    or (resid   15 and name   HN) (resid   21 and name HG21)
    or (resid   15 and name   HN) (resid   21 and name HG23)
    or (resid   15 and name   HN) (resid   21 and name HG12)
    or (resid   15 and name   HN) (resid   21 and name HG11)
    or (resid   15 and name   HN) (resid   21 and name HG13)
assign (resid   64 and name   HN) (resid   63 and name   HA) 2.365 0.699 0.699 !15Nnoesy, no=251, id=1963, vol=1.209370e+02
    or (resid   64 and name   HN) (resid   64 and name   HA)
assign (resid   77 and name   HN) (resid   77 and name  HB2) 2.226 0.619 0.619 !15Nnoesy, no=253, id=1965, vol=1.209290e+02
    or (resid   64 and name   HN) (resid   64 and name  HB1)
assign (resid    5 and name   HN) (resid    3 and name  HB2) 2.589 0.838 1.138 !15Nnoesy, no=254, id=1966, vol=1.212100e+02
    or (resid   68 and name   HN) (resid   67 and name  HG2)
    or (resid   68 and name   HN) (resid   67 and name  HG1)
    or (resid   68 and name   HN) (resid   68 and name   HG)
assign (resid    5 and name   HN) (resid    5 and name   HA) 2.749 0.945 0.945 !15Nnoesy, no=255, id=1967, vol=1.211090e+02
    or (resid   68 and name   HN) (resid   68 and name   HA)
assign (resid   25 and name   HN) (resid   24 and name  HB1) 2.442 0.745 0.745 !15Nnoesy, no=261, id=1972, vol=1.215540e+02
    or (resid   25 and name   HN) (resid   25 and name  HB1)
assign (resid    4 and name   HN) (resid    3 and name   HA) 3.298 1.359 1.359 !15Nnoesy, no=263, id=1974, vol=1.223400e+02
    or (resid    4 and name   HN) (resid    4 and name   HA)
assign (resid   48 and name   HN) (resid   29 and name  HB2) 3.168 3.168 3.332 !15Nnoesy, no=269, id=1980, vol=1.227570e+02
    or (resid   48 and name   HN) (resid   49 and name  HB1)
assign (resid   48 and name   HN) (resid   43 and name HG11) 2.389 2.389 4.111 !15Nnoesy, no=270, id=1981, vol=1.227490e+02
    or (resid   48 and name   HN) (resid   48 and name   HG)
assign (resid   38 and name   HN) (resid   36 and name   HA) 2.431 2.431 4.169 !15Nnoesy, no=278, id=1989, vol=1.057990e+02
    or (resid   38 and name   HN) (resid   39 and name   HA)
assign (resid   45 and name   HN) (resid   46 and name   HN) 1.861 0.433 0.433 !15Nnoesy, no=284, id=1995, vol=1.040280e+02
    or (resid   47 and name   HN) (resid   46 and name   HN)
assign (resid   46 and name   HN) (resid   45 and name   HA) 2.189 0.599 0.599 !15Nnoesy, no=285, id=1996, vol=9.960000e+09
    or (resid   46 and name   HN) (resid   46 and name  HA1)
assign (resid   65 and name   HN) (resid   66 and name   HN) 2.454 0.753 0.753 !15Nnoesy, no=290, id=2001, vol=1.189370e+02
    or (resid   66 and name   HN) (resid   67 and name   HN)
assign (resid   66 and name   HN) (resid   63 and name   HA) 2.393 0.716 0.716 !15Nnoesy, no=291, id=2002, vol=1.189840e+02
    or (resid   66 and name   HN) (resid   65 and name   HA)
assign (resid   66 and name   HN) (resid   70 and name  HB2) 2.518 2.518 3.982 !15Nnoesy, no=292, id=2003, vol=1.189660e+02
    or (resid   66 and name   HN) (resid   70 and name  HB1)
    or (resid   66 and name   HN) (resid   12 and name  HB2)
    or (resid   66 and name   HN) (resid   12 and name  HB1)
assign (resid   66 and name   HN) (resid   65 and name  HB2) 2.482 0.770 0.770 !15Nnoesy, no=294, id=2005, vol=1.189470e+02
    or (resid   66 and name   HN) (resid   65 and name  HB1)
    or (resid   66 and name   HN) (resid   67 and name  HB2)
    or (resid   66 and name   HN) (resid   67 and name  HB1)
assign (resid   69 and name   HN) (resid   26 and name   HA) 3.004 1.128 1.128 !15Nnoesy, no=296, id=2007, vol=1.221590e+02
    or (resid   69 and name   HN) (resid   68 and name   HA)
    or (resid   69 and name   HN) (resid   70 and name   HA)
assign (resid   67 and name   HN) (resid   70 and name  HB1) 3.350 1.403 1.403 !15Nnoesy, no=297, id=2008, vol=1.221330e+02
    or (resid   69 and name   HN) (resid   70 and name  HB1)
assign (resid   34 and name   HN) (resid   33 and name  HG2) 3.132 1.226 1.226 !15Nnoesy, no=303, id=2014, vol=1.288110e+02
    or (resid   34 and name   HN) (resid   23 and name HG22)
    or (resid   34 and name   HN) (resid   23 and name HG21)
    or (resid   34 and name   HN) (resid   23 and name HG23)
assign (resid   27 and name  HE1) (resid   73 and name  HG2) 2.798 0.978 0.978 !15Nnoesy, no=306, id=2017, vol=1.262130e+02
    or (resid   27 and name  HE1) (resid   74 and name  HD1)
assign (resid   31 and name   HN) (resid   30 and name  HB1) 2.991 1.118 1.118 !15Nnoesy, no=310, id=2021, vol=1.115400e+02
    or (resid   31 and name   HN) (resid   32 and name  HB2)
assign (resid   40 and name   HN) (resid   23 and name HG22) 3.323 1.381 1.381 !15Nnoesy, no=316, id=2026, vol=1.106570e+02
    or (resid   40 and name   HN) (resid   23 and name HG21)
    or (resid   40 and name   HN) (resid   23 and name HG23)
    or (resid   40 and name   HN) (resid   45 and name  HB2)
    or (resid   40 and name   HN) (resid   45 and name  HB1)
    or (resid   40 and name   HN) (resid   45 and name  HB3)
assign (resid   14 and name   HN) (resid    8 and name HG21) 3.365 1.415 1.415 !15Nnoesy, no=317, id=2027, vol=1.245810e+02
    or (resid   14 and name   HN) (resid    8 and name HG22)
    or (resid   14 and name   HN) (resid    8 and name HG23)
    or (resid   14 and name   HN) (resid   23 and name HG22)
    or (resid   14 and name   HN) (resid   23 and name HG21)
    or (resid   14 and name   HN) (resid   23 and name HG23)
    or (resid   14 and name   HN) (resid   24 and name  HB2)
    or (resid   14 and name   HN) (resid   45 and name  HB2)
    or (resid   14 and name   HN) (resid   45 and name  HB1)
    or (resid   14 and name   HN) (resid   45 and name  HB3)
assign (resid   35 and name   HN) (resid   23 and name HG22) 2.949 1.087 1.087 !15Nnoesy, no=319, id=2029, vol=1.174990e+02
    or (resid   35 and name   HN) (resid   23 and name HG21)
    or (resid   35 and name   HN) (resid   23 and name HG23)
    or (resid   35 and name   HN) (resid   23 and name HG12)
    or (resid   35 and name   HN) (resid   23 and name HG11)
    or (resid   35 and name   HN) (resid   23 and name HG13)
assign (resid   66 and name   HN) (resid   48 and name HD22) 2.922 1.067 1.067 !15Nnoesy, no=323, id=2033, vol=1.192710e+02
    or (resid   66 and name   HN) (resid   48 and name HD21)
    or (resid   66 and name   HN) (resid   48 and name HD23)
    or (resid   66 and name   HN) (resid   64 and name HD12)
    or (resid   66 and name   HN) (resid   64 and name HD11)
    or (resid   66 and name   HN) (resid   64 and name HD13)
    or (resid   72 and name   HN) (resid   72 and name HD12)
    or (resid   72 and name   HN) (resid   72 and name HD11)
    or (resid   72 and name   HN) (resid   72 and name HD13)
    or (resid   72 and name   HN) (resid   75 and name HD22)
    or (resid   72 and name   HN) (resid   75 and name HD21)
    or (resid   72 and name   HN) (resid   75 and name HD23)
    or (resid   72 and name   HN) (resid   75 and name HD12)
    or (resid   72 and name   HN) (resid   75 and name HD11)
    or (resid   72 and name   HN) (resid   75 and name HD13)
    or (resid   73 and name   HN) (resid   72 and name HD12)
    or (resid   73 and name   HN) (resid   72 and name HD11)
    or (resid   73 and name   HN) (resid   72 and name HD13)
    or (resid   74 and name   HN) (resid   75 and name HD22)
    or (resid   74 and name   HN) (resid   75 and name HD21)
    or (resid   74 and name   HN) (resid   75 and name HD23)
    or (resid   74 and name   HN) (resid   75 and name HD12)
    or (resid   74 and name   HN) (resid   75 and name HD11)
    or (resid   74 and name   HN) (resid   75 and name HD13)
assign (resid    5 and name   HN) (resid    4 and name HD22) 2.961 1.096 1.096 !15Nnoesy, no=327, id=2037, vol=1.211070e+02
    or (resid    5 and name   HN) (resid    4 and name HD21)
    or (resid    5 and name   HN) (resid    4 and name HD23)
    or (resid   68 and name   HN) (resid   66 and name HG12)
    or (resid   68 and name   HN) (resid   66 and name HG11)
    or (resid   68 and name   HN) (resid   66 and name HG13)
    or (resid   68 and name   HN) (resid   68 and name HD22)
    or (resid   68 and name   HN) (resid   68 and name HD21)
    or (resid   68 and name   HN) (resid   68 and name HD23)
assign (resid   46 and name   HN) (resid   43 and name HG22) 3.059 1.170 1.170 !15Nnoesy, no=330, id=2040, vol=1.040300e+02
    or (resid   46 and name   HN) (resid   43 and name HG21)
    or (resid   46 and name   HN) (resid   43 and name HG23)
    or (resid   46 and name   HN) (resid   43 and name HD12)
    or (resid   46 and name   HN) (resid   43 and name HD11)
    or (resid   46 and name   HN) (resid   43 and name HD13)
assign (resid   30 and name   HN) (resid   27 and name   HN) 3.761 1.768 1.768 !15Nnoesy, no=339, id=2049, vol=1.209880e+02
    or (resid   28 and name   HN) (resid   30 and name   HN)
assign (resid   13 and name   HN) (resid   14 and name  HB2) 3.864 1.866 1.866 !15Nnoesy, no=353, id=2061, vol=1.148660e+02
    or (resid   13 and name   HN) (resid   14 and name  HB1)
assign (resid   41 and name   HN) (resid   33 and name  HE2) 3.761 1.768 1.768 !15Nnoesy, no=355, id=2063, vol=1.153400e+02
    or (resid   41 and name   HN) (resid   33 and name  HE1)
    or (resid   41 and name   HN) (resid   35 and name  HB2)
assign (resid   42 and name   HN) (resid   38 and name   HN) 3.991 1.991 1.991 !15Nnoesy, no=357, id=2065, vol=1.158070e+02
    or (resid   42 and name   HN) (resid   35 and name   HN)
assign (resid   42 and name   HN) (resid   40 and name  HB2) 3.864 1.866 1.866 !15Nnoesy, no=359, id=2067, vol=1.157580e+02
    or (resid   42 and name   HN) (resid   50 and name  HB2)
assign (resid   47 and name   HN) (resid   48 and name   HA) 2.492 2.492 4.008 !15Nnoesy, no=360, id=2068, vol=1.173210e+02
    or (resid   47 and name   HN) (resid   45 and name   HA)
assign (resid   42 and name   HN) (resid   35 and name   HN) 3.761 1.768 1.768 !15Nnoesy, no=364, id=2071, vol=1.175310e+02
    or (resid   35 and name   HN) (resid   27 and name  HE3)
assign (resid   27 and name   HN) (resid   23 and name   HN) 3.761 3.761 2.739 !15Nnoesy, no=367, id=2074, vol=1.174570e+02
    or (resid   27 and name   HN) (resid   14 and name   HN)
assign (resid   74 and name   HN) (resid   73 and name  HB2) 3.052 1.164 1.164 !15Nnoesy, no=377, id=2084, vol=1.195060e+02
    or (resid   74 and name   HN) (resid   73 and name  HB1)
    or (resid   74 and name   HN) (resid   74 and name  HB2)
    or (resid   74 and name   HN) (resid   74 and name  HB1)
assign (resid   63 and name   HN) (resid   64 and name HD22) 3.577 1.600 1.600 !15Nnoesy, no=378, id=2085, vol=1.198330e+02
    or (resid   63 and name   HN) (resid   64 and name HD21)
    or (resid   63 and name   HN) (resid   64 and name HD23)
    or (resid   63 and name   HN) (resid   66 and name HG22)
    or (resid   63 and name   HN) (resid   66 and name HG21)
    or (resid   63 and name   HN) (resid   66 and name HG23)
assign (resid   29 and name   HN) (resid   43 and name HD12) 3.991 1.991 1.991 !15Nnoesy, no=380, id=2087, vol=1.202660e+02
    or (resid   29 and name   HN) (resid   43 and name HD11)
    or (resid   29 and name   HN) (resid   43 and name HD13)
    or (resid   29 and name   HN) (resid   48 and name HD22)
    or (resid   29 and name   HN) (resid   48 and name HD21)
    or (resid   29 and name   HN) (resid   48 and name HD23)
assign (resid   23 and name   HN) (resid   13 and name  HB2) 3.945 1.946 1.946 !15Nnoesy, no=383, id=2090, vol=1.201470e+02
    or (resid   23 and name   HN) (resid   13 and name  HB1)
    or (resid   23 and name   HN) (resid   15 and name  HB1)
assign (resid   78 and name   HN) (resid   77 and name  HB2) 3.600 1.620 1.620 !15Nnoesy, no=384, id=2091, vol=1.206020e+02
    or (resid   78 and name   HN) (resid   77 and name  HB1)
    or (resid   78 and name   HN) (resid   78 and name  HB2)
assign (resid   43 and name   HN) (resid   43 and name HG11) 3.761 1.768 1.768 !15Nnoesy, no=387, id=2094, vol=1.209220e+02
    or (resid   43 and name   HN) (resid   44 and name  HB2)
    or (resid   43 and name   HN) (resid   44 and name  HB1)
    or (resid   43 and name   HN) (resid   44 and name  HB3)
assign (resid   30 and name   HN) (resid   26 and name  HB2) 4.095 2.096 2.096 !15Nnoesy, no=388, id=2095, vol=1.210210e+02
    or (resid   30 and name   HN) (resid   28 and name   HG)
    or (resid   30 and name   HN) (resid   74 and name  HB2)
    or (resid   30 and name   HN) (resid   74 and name  HB1)
assign (resid   25 and name   HN) (resid   27 and name   HN) 3.187 1.270 1.270 !15Nnoesy, no=396, id=2102, vol=1.215490e+02
    or (resid   25 and name   HN) (resid   28 and name   HN)
assign (resid   79 and name   HN) (resid   78 and name   HA) 3.197 1.278 1.278 !15Nnoesy, no=399, id=2105, vol=1.228700e+02
    or (resid   79 and name   HN) (resid   79 and name   HA)
assign (resid   39 and name   HN) (resid   33 and name  HG2) 4.095 2.096 2.096 !15Nnoesy, no=400, id=2106, vol=1.229720e+02
    or (resid   39 and name   HN) (resid   23 and name HG22)
    or (resid   39 and name   HN) (resid   23 and name HG21)
    or (resid   39 and name   HN) (resid   23 and name HG23)
assign (resid   32 and name   HN) (resid   28 and name   HG) 4.095 4.095 2.405 !15Nnoesy, no=404, id=2109, vol=1.184770e+02
    or (resid   32 and name   HN) (resid   33 and name  HB2)
    or (resid   32 and name   HN) (resid   74 and name  HB2)
    or (resid   32 and name   HN) (resid   74 and name  HB1)
assign (resid   26 and name   HN) (resid   66 and name   HA) 3.903 1.904 1.904 !15Nnoesy, no=406, id=2110, vol=1.155810e+02
    or (resid   26 and name   HN) (resid   27 and name  HB1)
assign (resid   15 and name   HN) (resid   23 and name HG22) 3.515 3.515 2.985 !15Nnoesy, no=411, id=2111, vol=1.212680e+02
    or (resid   15 and name   HN) (resid   23 and name HG21)
    or (resid   15 and name   HN) (resid   23 and name HG23)
    or (resid   15 and name   HN) (resid   45 and name  HB2)
    or (resid   15 and name   HN) (resid   45 and name  HB1)
    or (resid   15 and name   HN) (resid   45 and name  HB3)
assign (resid   50 and name HD22) (resid   33 and name  HD2) 4.095 2.096 2.096 !15Nnoesy, no=416, id=2115, vol=1.119830e+02
    or (resid   50 and name HD22) (resid   33 and name  HD1)
    or (resid   50 and name HD22) (resid   41 and name  HB2)
assign (resid   30 and name   HN) (resid   33 and name  HB2) 3.953 1.954 1.954 !HCNnoesy, no=9, id=2123, vol=1.130000e+08
    or (resid   30 and name   HN) (resid   33 and name  HB1)
    or (resid   30 and name   HN) (resid   41 and name  HB2)
    or (resid   30 and name   HN) (resid   41 and name  HB1)
assign (resid   23 and name   HN) (resid   14 and name  HB2) 3.023 1.142 1.142 !HCNnoesy, no=15, id=2129, vol=1.840000e+08
    or (resid   23 and name   HN) (resid   14 and name  HB1)
    or (resid   23 and name   HN) (resid   22 and name  HB2)
    or (resid   23 and name   HN) (resid   22 and name  HB1)
assign (resid   34 and name   HN) (resid   30 and name  HB2) 3.685 1.698 1.698 !HCNnoesy, no=18, id=2132, vol=8.410000e+07
    or (resid   34 and name   HN) (resid   30 and name  HB1)
    or (resid   34 and name   HN) (resid   32 and name  HB2)
    or (resid   34 and name   HN) (resid   32 and name  HB1)
    or (resid   34 and name   HN) (resid   33 and name  HE2)
    or (resid   34 and name   HN) (resid   33 and name  HE1)
    or (resid   34 and name   HN) (resid   74 and name  HE2)
    or (resid   34 and name   HN) (resid   74 and name  HE1)
assign (resid   34 and name   HN) (resid   32 and name   HA) 3.953 1.954 1.954 !HCNnoesy, no=22, id=2136, vol=4.720000e+07
    or (resid   34 and name   HN) (resid   35 and name   HA)
assign (resid   34 and name   HN) (resid   39 and name  HB2) 3.631 1.648 1.648 !HCNnoesy, no=28, id=2142, vol=9.520000e+07
    or (resid   34 and name   HN) (resid   39 and name  HB1)
    or (resid   34 and name   HN) (resid   39 and name  HB3)
    or (resid   34 and name   HN) (resid   23 and name HG12)
    or (resid   34 and name   HN) (resid   23 and name HG11)
    or (resid   34 and name   HN) (resid   23 and name HG13)
assign (resid   27 and name  HE1) (resid   26 and name  HD2) 3.250 1.320 1.320 !HCNnoesy, no=34, id=2148, vol=9.000000e+07
    or (resid   27 and name  HE1) (resid   26 and name  HD1)
    or (resid   27 and name  HE1) (resid   73 and name  HD2)
    or (resid   27 and name  HE1) (resid   73 and name  HD1)
assign (resid   27 and name  HE1) (resid   30 and name  HB2) 2.774 0.962 0.962 !HCNnoesy, no=35, id=2149, vol=1.840000e+08
    or (resid   27 and name  HE1) (resid   30 and name  HB1)
    or (resid   27 and name  HE1) (resid   74 and name  HE2)
    or (resid   27 and name  HE1) (resid   74 and name  HE1)
assign (resid   27 and name  HE1) (resid   24 and name  HB2) 3.357 1.409 1.409 !HCNnoesy, no=37, id=2151, vol=4.680000e+07
    or (resid   27 and name  HE1) (resid   24 and name  HB1)
    or (resid   27 and name  HE1) (resid   74 and name  HB2)
    or (resid   27 and name  HE1) (resid   74 and name  HB1)
assign (resid   27 and name  HE1) (resid   73 and name  HG2) 3.631 1.648 1.648 !HCNnoesy, no=39, id=2153, vol=1.450000e+08
    or (resid   27 and name  HE1) (resid   73 and name  HG1)
    or (resid   27 and name  HE1) (resid   27 and name  HB2)
    or (resid   27 and name  HE1) (resid   27 and name  HB1)
assign (resid   27 and name  HE1) (resid   23 and name HG22) 4.474 2.502 2.502 !HCNnoesy, no=43, id=2157, vol=3.450000e+08
    or (resid   27 and name  HE1) (resid   23 and name HG21)
    or (resid   27 and name  HE1) (resid   23 and name HG23)
    or (resid   27 and name  HE1) (resid   28 and name HD12)
    or (resid   27 and name  HE1) (resid   28 and name HD11)
    or (resid   27 and name  HE1) (resid   28 and name HD13)
assign (resid   31 and name   HN) (resid   30 and name  HB2) 3.004 1.128 1.128 !HCNnoesy, no=45, id=2159, vol=2.700000e+08
    or (resid   31 and name   HN) (resid   30 and name  HB1)
    or (resid   31 and name   HN) (resid   32 and name  HB2)
    or (resid   31 and name   HN) (resid   32 and name  HB1)
assign (resid   29 and name   HN) (resid   28 and name   HA) 2.358 0.695 0.695 !HCNnoesy, no=49, id=2163, vol=1.440000e+09
    or (resid   29 and name   HN) (resid   29 and name   HA)
assign (resid   29 and name   HN) (resid   30 and name   HA) 3.705 1.716 1.716 !HCNnoesy, no=51, id=2165, vol=4.300000e+07
    or (resid   29 and name   HN) (resid   47 and name   HA)
assign (resid   29 and name   HN) (resid   31 and name  HA2) 3.953 3.953 2.547 !HCNnoesy, no=52, id=2166, vol=8.880000e+07
    or (resid   29 and name   HN) (resid   31 and name  HA1)
    or (resid   29 and name   HN) (resid   55 and name  HA2)
    or (resid   29 and name   HN) (resid   55 and name  HA1)
assign (resid   29 and name   HN) (resid   26 and name  HD2) 3.768 1.775 1.775 !HCNnoesy, no=53, id=2167, vol=5.700000e+07
    or (resid   29 and name   HN) (resid   26 and name  HD1)
    or (resid   29 and name   HN) (resid   65 and name  HD2)
    or (resid   29 and name   HN) (resid   65 and name  HD1)
assign (resid   29 and name   HN) (resid   25 and name  HG2) 3.469 1.504 1.504 !HCNnoesy, no=56, id=2170, vol=5.840000e+07
    or (resid   29 and name   HN) (resid   25 and name  HG1)
    or (resid   29 and name   HN) (resid   41 and name  HG2)
    or (resid   29 and name   HN) (resid   41 and name  HG1)
assign (resid   29 and name   HN) (resid   41 and name  HB2) 3.768 1.775 1.775 !HCNnoesy, no=58, id=2172, vol=1.330000e+08
    or (resid   29 and name   HN) (resid   41 and name  HB1)
    or (resid   29 and name   HN) (resid   65 and name  HB2)
    or (resid   29 and name   HN) (resid   65 and name  HB1)
assign (resid   29 and name   HN) (resid   28 and name   HG) 3.522 1.551 1.551 !HCNnoesy, no=59, id=2173, vol=6.900000e+07
    or (resid   29 and name   HN) (resid   26 and name  HG2)
    or (resid   29 and name   HN) (resid   26 and name  HG1)
assign (resid   39 and name   HN) (resid   41 and name  HG2) 3.566 1.589 1.589 !HCNnoesy, no=72, id=2186, vol=1.930000e+08
    or (resid   39 and name   HN) (resid   41 and name  HG1)
    or (resid   39 and name   HN) (resid   16 and name  HB2)
    or (resid   39 and name   HN) (resid   16 and name  HB1)
assign (resid   39 and name   HN) (resid   33 and name   HA) 4.095 2.096 2.096 !HCNnoesy, no=76, id=2190, vol=7.350000e+08
    or (resid   39 and name   HN) (resid   42 and name   HA)
assign (resid   39 and name   HN) (resid   35 and name   HA) 2.741 2.741 3.759 !HCNnoesy, no=79, id=2193, vol=2.640000e+08
    or (resid   39 and name   HN) (resid   37 and name   HA)
assign (resid   39 and name   HN) (resid   33 and name  HB2) 3.648 1.664 1.664 !HCNnoesy, no=85, id=2199, vol=7.140000e+07
    or (resid   39 and name   HN) (resid   33 and name  HB1)
    or (resid   39 and name   HN) (resid   41 and name  HB2)
    or (resid   39 and name   HN) (resid   41 and name  HB1)
assign (resid   39 and name   HN) (resid   19 and name HG21) 3.746 3.746 2.754 !HCNnoesy, no=88, id=2202, vol=7.910000e+07
    or (resid   39 and name   HN) (resid   19 and name HG22)
    or (resid   39 and name   HN) (resid   19 and name HG23)
    or (resid   39 and name   HN) (resid   21 and name HG12)
    or (resid   39 and name   HN) (resid   21 and name HG11)
    or (resid   39 and name   HN) (resid   21 and name HG13)
assign (resid   39 and name   HN) (resid   36 and name  HB2) 3.235 1.308 1.308 !HCNnoesy, no=90, id=2204, vol=8.250000e+07
    or (resid   39 and name   HN) (resid   36 and name  HB1)
    or (resid   39 and name   HN) (resid   36 and name  HB3)
    or (resid   39 and name   HN) (resid   44 and name  HB2)
    or (resid   39 and name   HN) (resid   44 and name  HB1)
    or (resid   39 and name   HN) (resid   44 and name  HB3)
assign (resid   62 and name   HN) (resid   62 and name  HG2) 3.433 1.473 1.473 !HCNnoesy, no=94, id=2208, vol=9.720000e+07
    or (resid   62 and name   HN) (resid   62 and name  HG1)
    or (resid   62 and name   HN) (resid   63 and name  HG2)
    or (resid   62 and name   HN) (resid   63 and name  HG1)
assign (resid   16 and name   HN) (resid   21 and name HG22) 3.581 1.603 1.603 !HCNnoesy, no=111, id=2225, vol=1.620000e+08
    or (resid   16 and name   HN) (resid   21 and name HG21)
    or (resid   16 and name   HN) (resid   21 and name HG23)
    or (resid   16 and name   HN) (resid   21 and name HG12)
    or (resid   16 and name   HN) (resid   21 and name HG11)
    or (resid   16 and name   HN) (resid   21 and name HG13)
assign (resid   40 and name   HN) (resid   33 and name   HA) 3.746 1.754 1.754 !HCNnoesy, no=112, id=2226, vol=5.950000e+07
    or (resid   40 and name   HN) (resid   42 and name   HA)
assign (resid   40 and name   HN) (resid   16 and name   HA) 3.551 1.576 1.576 !HCNnoesy, no=113, id=2227, vol=1.100000e+08
    or (resid   40 and name   HN) (resid   35 and name   HA)
assign (resid   14 and name   HN) (resid    4 and name HD22) 3.328 1.384 1.384 !HCNnoesy, no=118, id=2232, vol=7.250000e+07
    or (resid   14 and name   HN) (resid    4 and name HD21)
    or (resid   14 and name   HN) (resid    4 and name HD23)
    or (resid   14 and name   HN) (resid   28 and name HD22)
    or (resid   14 and name   HN) (resid   28 and name HD21)
    or (resid   14 and name   HN) (resid   28 and name HD23)
assign (resid   14 and name   HN) (resid   16 and name  HB2) 4.095 2.096 2.096 !HCNnoesy, no=121, id=2235, vol=2.270000e+07
    or (resid   14 and name   HN) (resid   16 and name  HB1)
    or (resid   14 and name   HN) (resid   25 and name  HG2)
    or (resid   14 and name   HN) (resid   25 and name  HG1)
assign (resid   35 and name   HN) (resid   33 and name   HA) 2.426 0.736 0.736 !HCNnoesy, no=126, id=2240, vol=7.600000e+08
    or (resid   35 and name   HN) (resid   34 and name   HA)
assign (resid   35 and name   HN) (resid   36 and name   HA) 3.705 1.716 1.716 !HCNnoesy, no=127, id=2241, vol=8.370000e+07
    or (resid   35 and name   HN) (resid   39 and name   HA)
assign (resid   35 and name   HN) (resid    3 and name  HE2) 3.597 1.617 1.617 !HCNnoesy, no=131, id=2245, vol=4.520000e+07
    or (resid   35 and name   HN) (resid    3 and name  HE1)
    or (resid   35 and name   HN) (resid    4 and name  HB2)
    or (resid   35 and name   HN) (resid    4 and name  HB1)
    or (resid   35 and name   HN) (resid   32 and name  HB2)
    or (resid   35 and name   HN) (resid   32 and name  HB1)
    or (resid   35 and name   HN) (resid   33 and name  HE2)
    or (resid   35 and name   HN) (resid   33 and name  HE1)
assign (resid   27 and name   HN) (resid   14 and name  HB2) 3.597 1.617 1.617 !HCNnoesy, no=138, id=2252, vol=9.180000e+07
    or (resid   27 and name   HN) (resid   14 and name  HB1)
    or (resid   27 and name   HN) (resid   26 and name  HD2)
    or (resid   27 and name   HN) (resid   26 and name  HD1)
    or (resid   27 and name   HN) (resid   34 and name  HB2)
    or (resid   27 and name   HN) (resid   34 and name  HB1)
assign (resid   27 and name   HN) (resid   25 and name  HB2) 3.014 1.135 1.135 !HCNnoesy, no=139, id=2253, vol=2.870000e+08
    or (resid   27 and name   HN) (resid   25 and name  HB1)
    or (resid   27 and name   HN) (resid   26 and name  HB2)
    or (resid   27 and name   HN) (resid   26 and name  HB1)
assign (resid   27 and name   HN) (resid   30 and name  HB2) 3.666 1.680 1.680 !HCNnoesy, no=144, id=2258, vol=7.040000e+07
    or (resid   27 and name   HN) (resid   30 and name  HB1)
    or (resid   27 and name   HN) (resid   74 and name  HE2)
    or (resid   27 and name   HN) (resid   74 and name  HE1)
assign (resid   27 and name   HN) (resid   24 and name  HG2) 2.766 0.956 0.956 !HCNnoesy, no=148, id=2262, vol=3.730000e+08
    or (resid   27 and name   HN) (resid   24 and name  HG1)
    or (resid   27 and name   HN) (resid   26 and name  HG2)
    or (resid   27 and name   HN) (resid   26 and name  HG1)
assign (resid   27 and name   HN) (resid   28 and name HD22) 3.191 1.272 1.372 !HCNnoesy, no=149, id=2263, vol=1.240000e+08
    or (resid   27 and name   HN) (resid   28 and name HD21)
    or (resid   27 and name   HN) (resid   28 and name HD23)
    or (resid   27 and name   HN) (resid   74 and name  HG2)
    or (resid   27 and name   HN) (resid   74 and name  HG1)
assign (resid   27 and name   HN) (resid   23 and name HG22) 3.000 1.125 1.125 !HCNnoesy, no=150, id=2264, vol=2.320000e+08
    or (resid   27 and name   HN) (resid   23 and name HG21)
    or (resid   27 and name   HN) (resid   23 and name HG23)
    or (resid   27 and name   HN) (resid   28 and name HD12)
    or (resid   27 and name   HN) (resid   28 and name HD11)
    or (resid   27 and name   HN) (resid   28 and name HD13)
assign (resid   26 and name   HN) (resid   12 and name  HB2) 3.666 1.680 1.680 !HCNnoesy, no=155, id=2269, vol=1.440000e+08
    or (resid   26 and name   HN) (resid   12 and name  HB1)
    or (resid   26 and name   HN) (resid   24 and name   HA)
assign (resid   26 and name   HN) (resid   25 and name  HB2) 2.525 0.797 0.797 !HCNnoesy, no=159, id=2273, vol=6.240000e+08
    or (resid   26 and name   HN) (resid   25 and name  HB1)
    or (resid   26 and name   HN) (resid   26 and name  HB2)
    or (resid   26 and name   HN) (resid   26 and name  HB1)
assign (resid   26 and name   HN) (resid   28 and name HD22) 3.923 1.923 1.923 !HCNnoesy, no=160, id=2274, vol=8.220000e+07
    or (resid   26 and name   HN) (resid   28 and name HD21)
    or (resid   26 and name   HN) (resid   28 and name HD23)
    or (resid   26 and name   HN) (resid   74 and name  HG2)
    or (resid   26 and name   HN) (resid   74 and name  HG1)
assign (resid   28 and name   HN) (resid   14 and name  HB2) 3.614 1.632 1.632 !HCNnoesy, no=174, id=2288, vol=1.020000e+08
    or (resid   28 and name   HN) (resid   14 and name  HB1)
    or (resid   28 and name   HN) (resid   26 and name  HD2)
    or (resid   28 and name   HN) (resid   26 and name  HD1)
    or (resid   28 and name   HN) (resid   34 and name  HB2)
    or (resid   28 and name   HN) (resid   34 and name  HB1)
assign (resid   28 and name   HN) (resid   25 and name  HB2) 3.079 1.185 1.185 !HCNnoesy, no=177, id=2291, vol=1.340000e+08
    or (resid   28 and name   HN) (resid   25 and name  HB1)
    or (resid   28 and name   HN) (resid   26 and name  HB2)
    or (resid   28 and name   HN) (resid   26 and name  HB1)
assign (resid   28 and name   HN) (resid   26 and name  HG2) 2.494 2.494 4.006 !HCNnoesy, no=179, id=2293, vol=4.750000e+08
    or (resid   28 and name   HN) (resid   26 and name  HG1)
    or (resid   28 and name   HN) (resid   28 and name   HG)
assign (resid   80 and name   HN) (resid   79 and name   HG) 2.153 0.580 0.580 !HCNnoesy, no=189, id=2303, vol=9.110000e+08
    or (resid   80 and name   HN) (resid   80 and name   HG)
assign (resid   80 and name   HN) (resid   79 and name HD22) 2.493 0.777 0.777 !HCNnoesy, no=190, id=2304, vol=2.520000e+08
    or (resid   80 and name   HN) (resid   79 and name HD21)
    or (resid   80 and name   HN) (resid   79 and name HD23)
    or (resid   80 and name   HN) (resid   80 and name HD22)
    or (resid   80 and name   HN) (resid   80 and name HD21)
    or (resid   80 and name   HN) (resid   80 and name HD23)
assign (resid   13 and name   HN) (resid   11 and name  HG2) 3.923 1.923 1.923 !HCNnoesy, no=195, id=2309, vol=1.410000e+08
    or (resid   13 and name   HN) (resid   11 and name  HG1)
    or (resid   13 and name   HN) (resid   73 and name  HG2)
    or (resid   13 and name   HN) (resid   73 and name  HG1)
assign (resid   13 and name   HN) (resid   12 and name  HB2) 2.511 2.511 3.989 !HCNnoesy, no=198, id=2312, vol=3.570000e+08
    or (resid   13 and name   HN) (resid   12 and name  HB1)
    or (resid   13 and name   HN) (resid   24 and name   HA)
assign (resid   13 and name   HN) (resid   12 and name   HA) 2.383 0.710 0.710 !HCNnoesy, no=199, id=2313, vol=8.760000e+08
    or (resid   13 and name   HN) (resid   13 and name   HA)
assign (resid   13 and name   HN) (resid   73 and name  HD2) 3.648 1.664 1.664 !HCNnoesy, no=202, id=2316, vol=2.660000e+08
    or (resid   13 and name   HN) (resid   73 and name  HD1)
    or (resid   13 and name   HN) (resid   14 and name  HB2)
    or (resid   13 and name   HN) (resid   14 and name  HB1)
assign (resid   13 and name   HN) (resid   24 and name  HB2) 3.250 1.320 1.420 !HCNnoesy, no=205, id=2319, vol=6.860000e+07
    or (resid   13 and name   HN) (resid   24 and name  HB1)
    or (resid   13 and name   HN) (resid   11 and name  HB2)
    or (resid   13 and name   HN) (resid   11 and name  HB1)
assign (resid   41 and name   HN) (resid   42 and name   HA) 2.910 1.059 1.059 !HCNnoesy, no=207, id=2321, vol=1.750000e+08
    or (resid   41 and name   HN) (resid   33 and name   HA)
assign (resid   41 and name   HN) (resid   28 and name HD12) 3.378 1.426 1.426 !HCNnoesy, no=214, id=2328, vol=8.510000e+07
    or (resid   41 and name   HN) (resid   28 and name HD11)
    or (resid   41 and name   HN) (resid   28 and name HD13)
    or (resid   41 and name   HN) (resid   23 and name HG22)
    or (resid   41 and name   HN) (resid   23 and name HG21)
    or (resid   41 and name   HN) (resid   23 and name HG23)
assign (resid   41 and name   HN) (resid   40 and name   HA) 2.552 0.814 0.814 !HCNnoesy, no=216, id=2330, vol=6.480000e+08
    or (resid   41 and name   HN) (resid   41 and name   HA)
assign (resid   41 and name   HN) (resid    4 and name HD22) 3.986 1.986 1.986 !HCNnoesy, no=220, id=2334, vol=2.560000e+08
    or (resid   41 and name   HN) (resid    4 and name HD21)
    or (resid   41 and name   HN) (resid    4 and name HD23)
    or (resid   41 and name   HN) (resid   28 and name HD22)
    or (resid   41 and name   HN) (resid   28 and name HD21)
    or (resid   41 and name   HN) (resid   28 and name HD23)
assign (resid   41 and name   HN) (resid   39 and name  HB2) 2.509 2.509 3.991 !HCNnoesy, no=221, id=2335, vol=3.520000e+08
    or (resid   41 and name   HN) (resid   39 and name  HB1)
    or (resid   41 and name   HN) (resid   39 and name  HB3)
    or (resid   41 and name   HN) (resid   45 and name  HB2)
    or (resid   41 and name   HN) (resid   45 and name  HB1)
    or (resid   41 and name   HN) (resid   45 and name  HB3)
assign (resid   41 and name   HN) (resid   36 and name  HB2) 3.791 3.791 2.709 !HCNnoesy, no=222, id=2336, vol=5.350000e+07
    or (resid   41 and name   HN) (resid   36 and name  HB1)
    or (resid   41 and name   HN) (resid   36 and name  HB3)
    or (resid   41 and name   HN) (resid   44 and name  HB2)
    or (resid   41 and name   HN) (resid   44 and name  HB1)
    or (resid   41 and name   HN) (resid   44 and name  HB3)
assign (resid   42 and name   HN) (resid   40 and name   HA) 2.720 0.925 0.925 !HCNnoesy, no=226, id=2340, vol=5.470000e+08
    or (resid   42 and name   HN) (resid   41 and name   HA)
assign (resid   42 and name   HN) (resid   28 and name  HB2) 3.482 1.515 1.515 !HCNnoesy, no=228, id=2342, vol=4.710000e+07
    or (resid   42 and name   HN) (resid   28 and name  HB1)
    or (resid   42 and name   HN) (resid   40 and name  HB2)
    or (resid   42 and name   HN) (resid   40 and name  HB1)
assign (resid   42 and name   HN) (resid   23 and name HG22) 3.685 1.698 1.698 !HCNnoesy, no=234, id=2348, vol=6.030000e+07
    or (resid   42 and name   HN) (resid   23 and name HG21)
    or (resid   42 and name   HN) (resid   23 and name HG23)
    or (resid   42 and name   HN) (resid   28 and name HD12)
    or (resid   42 and name   HN) (resid   28 and name HD11)
    or (resid   42 and name   HN) (resid   28 and name HD13)
assign (resid   42 and name   HN) (resid   39 and name  HB2) 2.305 2.305 4.195 !HCNnoesy, no=235, id=2349, vol=6.870000e+08
    or (resid   42 and name   HN) (resid   39 and name  HB1)
    or (resid   42 and name   HN) (resid   39 and name  HB3)
    or (resid   42 and name   HN) (resid   45 and name  HB2)
    or (resid   42 and name   HN) (resid   45 and name  HB1)
    or (resid   42 and name   HN) (resid   45 and name  HB3)
assign (resid   47 and name   HN) (resid   42 and name   HA) 3.685 1.698 1.698 !HCNnoesy, no=238, id=2352, vol=7.170000e+07
    or (resid   47 and name   HN) (resid   49 and name   HA)
assign (resid   47 and name   HN) (resid   40 and name   HA) 2.849 2.849 3.651 !HCNnoesy, no=239, id=2353, vol=2.800000e+08
    or (resid   47 and name   HN) (resid   44 and name   HA)
    or (resid   47 and name   HN) (resid   48 and name   HA)
assign (resid   47 and name   HN) (resid   14 and name  HB2) 3.319 3.319 3.181 !HCNnoesy, no=241, id=2355, vol=8.270000e+07
    or (resid   47 and name   HN) (resid   14 and name  HB1)
    or (resid   47 and name   HN) (resid   48 and name  HB2)
    or (resid   47 and name   HN) (resid   48 and name  HB1)
assign (resid   47 and name   HN) (resid   28 and name HD22) 3.102 1.203 1.203 !HCNnoesy, no=246, id=2360, vol=1.030000e+08
    or (resid   47 and name   HN) (resid   28 and name HD21)
    or (resid   47 and name   HN) (resid   28 and name HD23)
    or (resid   47 and name   HN) (resid   48 and name HD22)
    or (resid   47 and name   HN) (resid   48 and name HD21)
    or (resid   47 and name   HN) (resid   48 and name HD23)
assign (resid   32 and name   HN) (resid   27 and name   HA) 3.132 1.226 1.376 !HCNnoesy, no=266, id=2380, vol=1.520000e+08
    or (resid   32 and name   HN) (resid   29 and name   HA)
assign (resid   32 and name   HN) (resid   33 and name  HB2) 3.581 1.603 1.603 !HCNnoesy, no=268, id=2382, vol=1.340000e+08
    or (resid   32 and name   HN) (resid   33 and name  HB1)
    or (resid   32 and name   HN) (resid   41 and name  HB2)
    or (resid   32 and name   HN) (resid   41 and name  HB1)
!assign (resid   32 and name   HN) (resid    3 and name  HG2) 3.705 3.705 3.095 !HCNnoesy, no=269, id=2383, vol=1.440000e+08
!    or (resid   32 and name   HN) (resid    3 and name  HG1)
!    or (resid   32 and name   HN) (resid    4 and name HD22)
!    or (resid   32 and name   HN) (resid    4 and name HD21)
!    or (resid   32 and name   HN) (resid    4 and name HD23)
!    or (resid   32 and name   HN) (resid   28 and name HD22)
!    or (resid   32 and name   HN) (resid   28 and name HD21)
!    or (resid   32 and name   HN) (resid   28 and name HD23)
!    or (resid   32 and name   HN) (resid   74 and name  HG2)
!    or (resid   32 and name   HN) (resid   74 and name  HG1)
assign (resid   72 and name   HN) (resid   68 and name HD12) 3.648 1.664 1.664 !HCNnoesy, no=290, id=2404, vol=4.090000e+07
    or (resid   72 and name   HN) (resid   68 and name HD11)
    or (resid   72 and name   HN) (resid   68 and name HD13)
    or (resid   72 and name   HN) (resid   75 and name HD12)
    or (resid   72 and name   HN) (resid   75 and name HD11)
    or (resid   72 and name   HN) (resid   75 and name HD13)
    or (resid   74 and name   HN) (resid   75 and name HD12)
    or (resid   74 and name   HN) (resid   75 and name HD11)
    or (resid   74 and name   HN) (resid   75 and name HD13)
assign (resid   72 and name   HN) (resid   70 and name   HA) 3.725 1.735 1.735 !HCNnoesy, no=292, id=2406, vol=7.670000e+07
    or (resid   73 and name   HN) (resid   70 and name   HA)
assign (resid   66 and name   HN) (resid   65 and name  HG2) 2.821 0.995 0.995 !HCNnoesy, no=293, id=2407, vol=3.640000e+08
    or (resid   66 and name   HN) (resid   65 and name  HG1)
    or (resid   73 and name   HN) (resid   73 and name  HG2)
    or (resid   73 and name   HN) (resid   73 and name  HG1)
assign (resid   72 and name   HN) (resid   72 and name   HA) 2.896 1.048 1.048 !HCNnoesy, no=294, id=2408, vol=3.840000e+08
    or (resid   73 and name   HN) (resid   72 and name   HA)
assign (resid   73 and name   HN) (resid   72 and name  HB2) 2.727 0.929 0.929 !HCNnoesy, no=296, id=2410, vol=6.580000e+08
    or (resid   73 and name   HN) (resid   72 and name  HB1)
    or (resid   72 and name   HN) (resid   72 and name  HB2)
    or (resid   72 and name   HN) (resid   72 and name  HB1)
assign (resid   72 and name   HN) (resid   26 and name  HG2) 3.144 1.236 1.236 !HCNnoesy, no=297, id=2411, vol=3.410000e+08
    or (resid   72 and name   HN) (resid   26 and name  HG1)
    or (resid   72 and name   HN) (resid   72 and name   HG)
    or (resid   74 and name   HN) (resid   26 and name  HG2)
    or (resid   74 and name   HN) (resid   26 and name  HG1)
assign (resid   73 and name   HN) (resid   72 and name HD22) 3.053 1.165 1.165 !HCNnoesy, no=298, id=2412, vol=5.260000e+08
    or (resid   73 and name   HN) (resid   72 and name HD21)
    or (resid   73 and name   HN) (resid   72 and name HD23)
    or (resid   74 and name   HN) (resid   74 and name  HG2)
    or (resid   74 and name   HN) (resid   74 and name  HG1)
assign (resid   74 and name   HN) (resid   75 and name HD12) 3.023 1.142 1.142 !HCNnoesy, no=299, id=2413, vol=2.670000e+08
    or (resid   74 and name   HN) (resid   75 and name HD11)
    or (resid   74 and name   HN) (resid   75 and name HD13)
    or (resid   72 and name   HN) (resid   72 and name HD12)
    or (resid   72 and name   HN) (resid   72 and name HD11)
    or (resid   72 and name   HN) (resid   72 and name HD13)
    or (resid   72 and name   HN) (resid   75 and name HD12)
    or (resid   72 and name   HN) (resid   75 and name HD11)
    or (resid   72 and name   HN) (resid   75 and name HD13)
    or (resid   73 and name   HN) (resid   72 and name HD12)
    or (resid   73 and name   HN) (resid   72 and name HD11)
    or (resid   73 and name   HN) (resid   72 and name HD13)
assign (resid   65 and name   HN) (resid   62 and name  HG2) 3.725 1.735 1.735 !HCNnoesy, no=301, id=2415, vol=2.420000e+08
    or (resid   65 and name   HN) (resid   62 and name  HG1)
    or (resid   65 and name   HN) (resid   63 and name  HG2)
    or (resid   65 and name   HN) (resid   63 and name  HG1)
assign (resid   65 and name   HN) (resid   48 and name HD22) 3.301 1.362 1.362 !HCNnoesy, no=307, id=2421, vol=6.170000e+07
    or (resid   65 and name   HN) (resid   48 and name HD21)
    or (resid   65 and name   HN) (resid   48 and name HD23)
    or (resid   65 and name   HN) (resid   64 and name HD22)
    or (resid   65 and name   HN) (resid   64 and name HD21)
    or (resid   65 and name   HN) (resid   64 and name HD23)
assign (resid   65 and name   HN) (resid   61 and name HG21) 3.508 1.538 1.538 !HCNnoesy, no=309, id=2423, vol=8.930000e+07
    or (resid   65 and name   HN) (resid   61 and name HG22)
    or (resid   65 and name   HN) (resid   61 and name HG23)
    or (resid   65 and name   HN) (resid   66 and name HG22)
    or (resid   65 and name   HN) (resid   66 and name HG21)
    or (resid   65 and name   HN) (resid   66 and name HG23)
assign (resid   49 and name   HN) (resid   48 and name HD22) 3.522 1.551 1.551 !HCNnoesy, no=312, id=2426, vol=2.050000e+08
    or (resid   49 and name   HN) (resid   48 and name HD21)
    or (resid   49 and name   HN) (resid   48 and name HD23)
    or (resid   76 and name   HN) (resid   72 and name HD22)
    or (resid   76 and name   HN) (resid   72 and name HD21)
    or (resid   76 and name   HN) (resid   72 and name HD23)
    or (resid   76 and name   HN) (resid   75 and name HD22)
    or (resid   76 and name   HN) (resid   75 and name HD21)
    or (resid   76 and name   HN) (resid   75 and name HD23)
assign (resid   63 and name   HN) (resid   56 and name  HB2) 3.522 1.551 1.551 !HCNnoesy, no=320, id=2434, vol=2.110000e+08
    or (resid   63 and name   HN) (resid   56 and name  HB1)
    or (resid   63 and name   HN) (resid   60 and name  HB2)
    or (resid   63 and name   HN) (resid   60 and name  HB1)
assign (resid   63 and name   HN) (resid   60 and name   HA) 2.264 0.641 0.641 !HCNnoesy, no=321, id=2435, vol=8.310000e+08
    or (resid   63 and name   HN) (resid   62 and name   HA)
    or (resid   63 and name   HN) (resid   63 and name   HA)
assign (resid   63 and name   HN) (resid   62 and name  HB2) 2.159 0.583 0.583 !HCNnoesy, no=323, id=2437, vol=1.250000e+09
    or (resid   63 and name   HN) (resid   62 and name  HB1)
    or (resid   63 and name   HN) (resid   63 and name  HB2)
    or (resid   63 and name   HN) (resid   63 and name  HB1)
assign (resid   63 and name   HN) (resid   61 and name HG21) 3.631 1.648 1.648 !HCNnoesy, no=324, id=2438, vol=5.700000e+07
    or (resid   63 and name   HN) (resid   61 and name HG22)
    or (resid   63 and name   HN) (resid   61 and name HG23)
    or (resid   63 and name   HN) (resid   66 and name HG22)
    or (resid   63 and name   HN) (resid   66 and name HG21)
    or (resid   63 and name   HN) (resid   66 and name HG23)
assign (resid   21 and name   HN) (resid   15 and name   HA) 3.367 3.367 3.133 !HCNnoesy, no=329, id=2443, vol=1.620000e+08
    or (resid   21 and name   HN) (resid   36 and name   HA)
assign (resid   75 and name   HN) (resid   73 and name   HA) 2.858 1.021 1.021 !HCNnoesy, no=332, id=2446, vol=1.960000e+08
    or (resid   75 and name   HN) (resid   74 and name   HA)
assign (resid   75 and name   HN) (resid   73 and name  HB2) 3.923 1.923 1.923 !HCNnoesy, no=336, id=2450, vol=1.050000e+08
    or (resid   75 and name   HN) (resid   73 and name  HB1)
    or (resid   75 and name   HN) (resid   76 and name  HB2)
    or (resid   75 and name   HN) (resid   76 and name  HB1)
assign (resid   75 and name   HN) (resid   75 and name   HG) 2.973 1.105 1.105 !HCNnoesy, no=337, id=2451, vol=2.410000e+08
    or (resid   75 and name   HN) (resid   76 and name  HG2)
    or (resid   75 and name   HN) (resid   76 and name  HG1)
assign (resid   75 and name   HN) (resid   72 and name HD22) 2.827 0.999 0.999 !HCNnoesy, no=338, id=2452, vol=2.000000e+08
    or (resid   75 and name   HN) (resid   72 and name HD21)
    or (resid   75 and name   HN) (resid   72 and name HD23)
    or (resid   75 and name   HN) (resid   74 and name  HG2)
    or (resid   75 and name   HN) (resid   74 and name  HG1)
    or (resid   75 and name   HN) (resid   75 and name HD22)
    or (resid   75 and name   HN) (resid   75 and name HD21)
    or (resid   75 and name   HN) (resid   75 and name HD23)
assign (resid   15 and name   HN) (resid   28 and name HD22) 4.020 2.020 2.020 !HCNnoesy, no=340, id=2454, vol=1.390000e+08
    or (resid   15 and name   HN) (resid   28 and name HD21)
    or (resid   15 and name   HN) (resid   28 and name HD23)
    or (resid   15 and name   HN) (resid    4 and name HD22)
    or (resid   15 and name   HN) (resid    4 and name HD21)
    or (resid   15 and name   HN) (resid    4 and name HD23)
assign (resid   15 and name   HN) (resid   13 and name   HA) 4.181 2.185 2.185 !HCNnoesy, no=342, id=2456, vol=4.590000e+08
    or (resid   15 and name   HN) (resid   23 and name   HA)
assign (resid   15 and name   HN) (resid   27 and name  HB2) 3.923 3.923 2.577 !HCNnoesy, no=349, id=2463, vol=1.470000e+08
    or (resid   15 and name   HN) (resid   27 and name  HB1)
    or (resid   15 and name   HN) (resid   17 and name  HG2)
    or (resid   15 and name   HN) (resid   17 and name  HG1)
assign (resid   15 and name   HN) (resid   21 and name HG12) 3.357 3.357 3.143 !HCNnoesy, no=350, id=2464, vol=1.130000e+08
    or (resid   15 and name   HN) (resid   21 and name HG11)
    or (resid   15 and name   HN) (resid   21 and name HG13)
    or (resid   15 and name   HN) (resid   23 and name HG22)
    or (resid   15 and name   HN) (resid   23 and name HG21)
    or (resid   15 and name   HN) (resid   23 and name HG23)
    or (resid   15 and name   HN) (resid   28 and name HD12)
    or (resid   15 and name   HN) (resid   28 and name HD11)
    or (resid   15 and name   HN) (resid   28 and name HD13)
assign (resid   64 and name   HN) (resid   61 and name HG21) 3.685 1.698 1.698 !HCNnoesy, no=351, id=2465, vol=1.100000e+08
    or (resid   64 and name   HN) (resid   61 and name HG22)
    or (resid   64 and name   HN) (resid   61 and name HG23)
    or (resid   64 and name   HN) (resid   66 and name HG22)
    or (resid   64 and name   HN) (resid   66 and name HG21)
    or (resid   64 and name   HN) (resid   66 and name HG23)
assign (resid   64 and name   HN) (resid   60 and name   HA) 2.346 0.688 0.738 !HCNnoesy, no=353, id=2467, vol=5.620000e+08
    or (resid   64 and name   HN) (resid   62 and name   HA)
    or (resid   64 and name   HN) (resid   63 and name   HA)
assign (resid   64 and name   HN) (resid   64 and name   HA) 2.601 0.846 0.846 !HCNnoesy, no=354, id=2468, vol=4.050000e+08
    or (resid   77 and name   HN) (resid   76 and name   HA)
    or (resid   77 and name   HN) (resid   77 and name   HA)
assign (resid   64 and name   HN) (resid   67 and name  HD2) 4.181 2.185 2.185 !HCNnoesy, no=355, id=2469, vol=1.280000e+09
    or (resid   64 and name   HN) (resid   67 and name  HD1)
    or (resid   77 and name   HN) (resid   76 and name  HD2)
    or (resid   77 and name   HN) (resid   76 and name  HD1)
assign (resid   77 and name   HN) (resid   76 and name  HG2) 2.499 0.781 0.881 !HCNnoesy, no=359, id=2473, vol=3.870000e+08
    or (resid   77 and name   HN) (resid   76 and name  HG1)
    or (resid   64 and name   HN) (resid   64 and name   HG)
assign (resid   64 and name   HN) (resid   64 and name HD22) 2.846 1.012 1.012 !HCNnoesy, no=360, id=2474, vol=2.330000e+08
    or (resid   64 and name   HN) (resid   64 and name HD21)
    or (resid   64 and name   HN) (resid   64 and name HD23)
    or (resid   77 and name   HN) (resid   77 and name  HG2)
    or (resid   77 and name   HN) (resid   77 and name  HG1)
assign (resid    7 and name   HN) (resid    7 and name  HB2) 3.768 1.775 1.775 !HCNnoesy, no=362, id=2476, vol=2.530000e+08
    or (resid    7 and name   HN) (resid    7 and name  HB1)
    or (resid   78 and name   HN) (resid   77 and name  HB2)
    or (resid   78 and name   HN) (resid   77 and name  HB1)
assign (resid    7 and name   HN) (resid   24 and name  HG2) 3.866 1.869 1.869 !HCNnoesy, no=363, id=2477, vol=3.400000e+07
    or (resid    7 and name   HN) (resid   24 and name  HG1)
    or (resid   71 and name   HN) (resid   26 and name  HG2)
    or (resid   71 and name   HN) (resid   26 and name  HG1)
    or (resid   71 and name   HN) (resid   73 and name  HG2)
    or (resid   71 and name   HN) (resid   73 and name  HG1)
    or (resid   78 and name   HN) (resid   76 and name  HG2)
    or (resid   78 and name   HN) (resid   76 and name  HG1)
    or (resid   78 and name   HN) (resid   78 and name  HG2)
    or (resid   78 and name   HN) (resid   78 and name  HG1)
assign (resid   78 and name   HN) (resid   77 and name   HA) 4.020 2.020 2.020 !HCNnoesy, no=364, id=2478, vol=1.080000e+08
    or (resid   78 and name   HN) (resid   78 and name   HA)
    or (resid    7 and name   HN) (resid    7 and name   HA)
assign (resid    5 and name   HN) (resid    4 and name   HG) 2.941 1.081 1.081 !HCNnoesy, no=365, id=2479, vol=2.040000e+08
    or (resid   68 and name   HN) (resid   67 and name  HG2)
    or (resid   68 and name   HN) (resid   67 and name  HG1)
    or (resid   68 and name   HN) (resid   68 and name   HG)
assign (resid   68 and name   HN) (resid   65 and name   HA) 3.096 1.198 1.198 !HCNnoesy, no=366, id=2480, vol=1.850000e+08
    or (resid   68 and name   HN) (resid   67 and name   HA)
assign (resid    5 and name   HN) (resid    5 and name  HB2) 2.593 0.840 0.840 !HCNnoesy, no=371, id=2485, vol=3.000000e+08
    or (resid    5 and name   HN) (resid    5 and name  HB1)
    or (resid   68 and name   HN) (resid   67 and name  HB2)
    or (resid   68 and name   HN) (resid   67 and name  HB1)
assign (resid    5 and name   HN) (resid    3 and name  HG2) 3.074 1.181 1.181 !HCNnoesy, no=372, id=2486, vol=1.420000e+08
    or (resid    5 and name   HN) (resid    3 and name  HG1)
    or (resid    5 and name   HN) (resid    4 and name HD22)
    or (resid    5 and name   HN) (resid    4 and name HD21)
    or (resid    5 and name   HN) (resid    4 and name HD23)
    or (resid    5 and name   HN) (resid    7 and name  HG2)
    or (resid    5 and name   HN) (resid    7 and name  HG1)
    or (resid   68 and name   HN) (resid   68 and name HD22)
    or (resid   68 and name   HN) (resid   68 and name HD21)
    or (resid   68 and name   HN) (resid   68 and name HD23)
assign (resid    5 and name   HN) (resid    4 and name HD12) 3.069 1.177 1.177 !HCNnoesy, no=373, id=2487, vol=1.210000e+08
    or (resid    5 and name   HN) (resid    4 and name HD11)
    or (resid    5 and name   HN) (resid    4 and name HD13)
    or (resid   68 and name   HN) (resid   68 and name HD12)
    or (resid   68 and name   HN) (resid   68 and name HD11)
    or (resid   68 and name   HN) (resid   68 and name HD13)
assign (resid   25 and name   HN) (resid   14 and name  HB2) 4.020 2.020 2.020 !HCNnoesy, no=378, id=2492, vol=8.470000e+07
    or (resid   25 and name   HN) (resid   14 and name  HB1)
    or (resid   25 and name   HN) (resid   26 and name  HD2)
    or (resid   25 and name   HN) (resid   26 and name  HD1)
    or (resid   25 and name   HN) (resid   73 and name  HD2)
    or (resid   25 and name   HN) (resid   73 and name  HD1)
assign (resid   25 and name   HN) (resid   24 and name  HG2) 3.235 1.308 1.308 !HCNnoesy, no=382, id=2496, vol=2.720000e+08
    or (resid   25 and name   HN) (resid   24 and name  HG1)
    or (resid   25 and name   HN) (resid   26 and name  HG2)
    or (resid   25 and name   HN) (resid   26 and name  HG1)
assign (resid   38 and name   HN) (resid   33 and name   HA) 3.310 1.369 1.369 !HCNnoesy, no=397, id=2511, vol=1.520000e+08
    or (resid   38 and name   HN) (resid   34 and name   HA)
assign (resid   38 and name   HN) (resid   21 and name HG12) 4.748 2.818 2.818 !HCNnoesy, no=407, id=2521, vol=1.580000e+08
    or (resid   38 and name   HN) (resid   21 and name HG11)
    or (resid   38 and name   HN) (resid   21 and name HG13)
    or (resid   38 and name   HN) (resid   19 and name HG21)
    or (resid   38 and name   HN) (resid   19 and name HG22)
    or (resid   38 and name   HN) (resid   19 and name HG23)
assign (resid   46 and name   HN) (resid   40 and name   HA) 2.761 2.761 3.739 !HCNnoesy, no=415, id=2529, vol=3.530000e+08
    or (resid   46 and name   HN) (resid   44 and name   HA)
assign (resid   46 and name   HN) (resid   17 and name  HG2) 3.791 3.791 2.709 !HCNnoesy, no=420, id=2534, vol=1.340000e+08
    or (resid   46 and name   HN) (resid   17 and name  HG1)
    or (resid   46 and name   HN) (resid   48 and name   HG)
    or (resid   46 and name   HN) (resid   65 and name  HG2)
    or (resid   46 and name   HN) (resid   65 and name  HG1)
assign (resid   66 and name   HN) (resid   65 and name  HD2) 3.191 1.272 1.272 !HCNnoesy, no=426, id=2540, vol=1.950000e+08
    or (resid   66 and name   HN) (resid   65 and name  HD1)
    or (resid   73 and name   HN) (resid   73 and name  HD2)
    or (resid   73 and name   HN) (resid   73 and name  HD1)
assign (resid   66 and name   HN) (resid   63 and name   HA) 2.349 0.690 0.690 !HCNnoesy, no=428, id=2542, vol=1.130000e+09
    or (resid   73 and name   HN) (resid   73 and name   HA)
assign (resid   66 and name   HN) (resid   62 and name  HG2) 3.328 1.384 1.484 !HCNnoesy, no=429, id=2543, vol=2.430000e+08
    or (resid   66 and name   HN) (resid   62 and name  HG1)
    or (resid   66 and name   HN) (resid   63 and name  HG2)
    or (resid   66 and name   HN) (resid   63 and name  HG1)
assign (resid   66 and name   HN) (resid   65 and name  HB2) 2.435 0.741 0.741 !HCNnoesy, no=431, id=2545, vol=7.920000e+08
    or (resid   66 and name   HN) (resid   65 and name  HB1)
    or (resid   73 and name   HN) (resid   73 and name  HB2)
    or (resid   73 and name   HN) (resid   73 and name  HB1)
assign (resid   66 and name   HN) (resid   69 and name  HB2) 3.986 1.986 1.986 !HCNnoesy, no=434, id=2548, vol=2.560000e+08
    or (resid   66 and name   HN) (resid   69 and name  HB1)
    or (resid   66 and name   HN) (resid   69 and name  HB3)
    or (resid   73 and name   HN) (resid   69 and name  HB2)
    or (resid   73 and name   HN) (resid   69 and name  HB1)
    or (resid   73 and name   HN) (resid   69 and name  HB3)
assign (resid   69 and name   HN) (resid   66 and name   HA) 3.014 1.135 1.135 !HCNnoesy, no=435, id=2549, vol=1.600000e+08
    or (resid   67 and name   HN) (resid   66 and name   HA)
assign (resid   67 and name   HN) (resid   63 and name   HA) 2.914 1.061 1.061 !HCNnoesy, no=436, id=2550, vol=1.460000e+08
    or (resid   67 and name   HN) (resid   67 and name   HA)
assign (resid   67 and name   HN) (resid   67 and name  HD2) 3.536 1.563 1.563 !HCNnoesy, no=438, id=2552, vol=1.040000e+08
    or (resid   67 and name   HN) (resid   67 and name  HD1)
    or (resid   69 and name   HN) (resid   26 and name  HD2)
    or (resid   69 and name   HN) (resid   26 and name  HD1)
assign (resid   67 and name   HN) (resid   66 and name HG22) 2.862 1.024 1.024 !HCNnoesy, no=442, id=2556, vol=2.400000e+08
    or (resid   67 and name   HN) (resid   66 and name HG21)
    or (resid   67 and name   HN) (resid   66 and name HG23)
    or (resid   67 and name   HN) (resid   66 and name HG12)
    or (resid   67 and name   HN) (resid   66 and name HG11)
    or (resid   67 and name   HN) (resid   66 and name HG13)
assign (resid   23 and name   HN) (resid   23 and name HG22) 3.597 1.617 1.617 !HCNnoesy, no=448, id=2562, vol=3.180000e+08
    or (resid   23 and name   HN) (resid   23 and name HG21)
    or (resid   23 and name   HN) (resid   23 and name HG23)
    or (resid   23 and name   HN) (resid   28 and name HD12)
    or (resid   23 and name   HN) (resid   28 and name HD11)
    or (resid   23 and name   HN) (resid   28 and name HD13)
assign (resid   63 and name   HN) (resid   48 and name HD22) 4.474 2.502 2.502 !HCNnoesy, no=455, id=2569, vol=3.710000e+08
    or (resid   63 and name   HN) (resid   48 and name HD21)
    or (resid   63 and name   HN) (resid   48 and name HD23)
    or (resid   63 and name   HN) (resid   64 and name HD22)
    or (resid   63 and name   HN) (resid   64 and name HD21)
    or (resid   63 and name   HN) (resid   64 and name HD23)
assign (resid   79 and name   HN) (resid   78 and name  HG2) 3.235 1.308 1.308 !HCNnoesy, no=463, id=2577, vol=7.570000e+07
    or (resid   79 and name   HN) (resid   78 and name  HG1)
    or (resid   79 and name   HN) (resid   79 and name   HG)
assign (resid   79 and name   HN) (resid   79 and name HD12) 3.768 1.775 1.775 !HCNnoesy, no=464, id=2578, vol=4.150000e+07
    or (resid   79 and name   HN) (resid   79 and name HD11)
    or (resid   79 and name   HN) (resid   79 and name HD13)
    or (resid   79 and name   HN) (resid   80 and name HD12)
    or (resid   79 and name   HN) (resid   80 and name HD11)
    or (resid   79 and name   HN) (resid   80 and name HD13)
assign (resid   34 and name   HN) (resid   27 and name   HA) 4.403 2.423 2.423 !HCNnoesy, no=470, id=2584, vol=5.140000e+07
    or (resid   34 and name   HN) (resid   40 and name   HA)
    or (resid   34 and name   HN) (resid   41 and name   HA)
assign (resid   32 and name   HN) (resid   23 and name HG22) 4.137 4.137 2.363 !HCNnoesy, no=474, id=2588, vol=3.300000e+07
    or (resid   32 and name   HN) (resid   23 and name HG21)
    or (resid   32 and name   HN) (resid   23 and name HG23)
    or (resid   32 and name   HN) (resid   28 and name HD12)
    or (resid   32 and name   HN) (resid   28 and name HD11)
    or (resid   32 and name   HN) (resid   28 and name HD13)
assign (resid   32 and name   HN) (resid   26 and name  HG2) 4.137 2.139 2.139 !HCNnoesy, no=476, id=2590, vol=3.810000e+07
    or (resid   32 and name   HN) (resid   26 and name  HG1)
    or (resid   32 and name   HN) (resid   27 and name  HB2)
    or (resid   32 and name   HN) (resid   27 and name  HB1)
assign (resid   32 and name   HN) (resid   26 and name  HB2) 4.871 2.966 2.966 !HCNnoesy, no=477, id=2591, vol=9.200000e+08
    or (resid   32 and name   HN) (resid   26 and name  HB1)
    or (resid   32 and name   HN) (resid   33 and name  HD2)
    or (resid   32 and name   HN) (resid   33 and name  HD1)
    or (resid   32 and name   HN) (resid   74 and name  HD2)
    or (resid   32 and name   HN) (resid   74 and name  HD1)
assign (resid   49 and name   HN) (resid   48 and name   HG) 3.815 1.819 1.819 !HCNnoesy, no=480, id=2594, vol=7.010000e+07
    or (resid   49 and name   HN) (resid   65 and name  HG2)
    or (resid   49 and name   HN) (resid   65 and name  HG1)
assign (resid   73 and name   HN) (resid   73 and name  HB2) 2.748 0.944 0.944 !HCNnoesy, no=484, id=2598, vol=6.360000e+08
    or (resid   73 and name   HN) (resid   73 and name  HB1)
    or (resid   72 and name   HN) (resid   71 and name  HB2)
    or (resid   72 and name   HN) (resid   71 and name  HB1)
assign (resid   21 and name   HN) (resid   16 and name   HA) 4.056 2.057 2.057 !HCNnoesy, no=485, id=2599, vol=1.370000e+08
    or (resid   21 and name   HN) (resid   35 and name   HA)
assign (resid   23 and name   HN) (resid    4 and name   HG) 4.340 2.354 2.354 !HCNnoesy, no=487, id=2601, vol=4.050000e+07
    or (resid   23 and name   HN) (resid   24 and name  HG2)
    or (resid   23 and name   HN) (resid   24 and name  HG1)
assign (resid   30 and name   HN) (resid    2 and name  HB2) 4.643 2.695 2.695 !HCNnoesy, no=490, id=2604, vol=6.870000e+08
    or (resid   30 and name   HN) (resid    2 and name  HB1)
    or (resid   30 and name   HN) (resid   56 and name  HB2)
    or (resid   30 and name   HN) (resid   56 and name  HB1)
    or (resid   30 and name   HN) (resid   66 and name   HA)
assign (resid   30 and name   HN) (resid   26 and name   HA) 4.230 2.236 2.236 !HCNnoesy, no=491, id=2605, vol=4.900000e+07
    or (resid   30 and name   HN) (resid   33 and name   HA)
    or (resid   30 and name   HN) (resid   34 and name   HA)
assign (resid   30 and name   HN) (resid   74 and name  HG2) 4.095 2.096 2.096 !HCNnoesy, no=492, id=2606, vol=6.310000e+07
    or (resid   30 and name   HN) (resid   74 and name  HG1)
    or (resid   30 and name   HN) (resid   28 and name HD22)
    or (resid   30 and name   HN) (resid   28 and name HD21)
    or (resid   30 and name   HN) (resid   28 and name HD23)
    or (resid   30 and name   HN) (resid   48 and name HD22)
    or (resid   30 and name   HN) (resid   48 and name HD21)
    or (resid   30 and name   HN) (resid   48 and name HD23)
assign (resid   30 and name   HN) (resid   26 and name  HG2) 4.137 2.139 2.139 !HCNnoesy, no=493, id=2607, vol=6.360000e+07
    or (resid   30 and name   HN) (resid   26 and name  HG1)
    or (resid   30 and name   HN) (resid   28 and name   HG)
    or (resid   30 and name   HN) (resid   67 and name  HG2)
    or (resid   30 and name   HN) (resid   67 and name  HG1)
assign (resid   68 and name   HN) (resid   66 and name HG22) 4.181 2.185 2.185 !HCNnoesy, no=497, id=2611, vol=3.020000e+08
    or (resid   68 and name   HN) (resid   66 and name HG21)
    or (resid   68 and name   HN) (resid   66 and name HG23)
    or (resid   68 and name   HN) (resid   66 and name HG12)
    or (resid   68 and name   HN) (resid   66 and name HG11)
    or (resid   68 and name   HN) (resid   66 and name HG13)
    or (resid    5 and name   HN) (resid   21 and name HG22)
    or (resid    5 and name   HN) (resid   21 and name HG21)
    or (resid    5 and name   HN) (resid   21 and name HG23)
assign (resid   15 and name   HN) (resid   16 and name  HB2) 4.056 2.057 2.057 !HCNnoesy, no=498, id=2612, vol=3.400000e+07
    or (resid   15 and name   HN) (resid   16 and name  HB1)
    or (resid   15 and name   HN) (resid   25 and name  HG2)
    or (resid   15 and name   HN) (resid   25 and name  HG1)
assign (resid   30 and name   HN) (resid   28 and name  HB2) 3.768 1.775 1.775 !HCNnoesy, no=502, id=2615, vol=8.390000e+07
    or (resid   30 and name   HN) (resid   28 and name  HB1)
    or (resid   30 and name   HN) (resid   40 and name  HB2)
    or (resid   30 and name   HN) (resid   40 and name  HB1)
assign (resid   29 and name   HN) (resid   25 and name  HB2) 4.137 2.139 2.139 !HCNnoesy, no=503, id=2616, vol=4.500000e+07
    or (resid   29 and name   HN) (resid   25 and name  HB1)
    or (resid   29 and name   HN) (resid   26 and name  HB2)
    or (resid   29 and name   HN) (resid   26 and name  HB1)
    or (resid   29 and name   HN) (resid   62 and name  HB2)
    or (resid   29 and name   HN) (resid   62 and name  HB1)
assign (resid   30 and name   HN) (resid   26 and name  HB2) 4.403 2.423 2.423 !HCNnoesy, no=504, id=2617, vol=1.920000e+07
    or (resid   30 and name   HN) (resid   26 and name  HB1)
    or (resid   30 and name   HN) (resid   62 and name  HB2)
    or (resid   30 and name   HN) (resid   62 and name  HB1)
    or (resid   30 and name   HN) (resid   63 and name  HB2)
    or (resid   30 and name   HN) (resid   63 and name  HB1)
    or (resid   30 and name   HN) (resid   74 and name  HD2)
    or (resid   30 and name   HN) (resid   74 and name  HD1)
assign (resid   30 and name   HN) (resid   26 and name  HD2) 4.474 2.502 2.502 !HCNnoesy, no=505, id=2618, vol=2.700000e+09
    or (resid   30 and name   HN) (resid   26 and name  HD1)
    or (resid   30 and name   HN) (resid   34 and name  HB2)
    or (resid   30 and name   HN) (resid   34 and name  HB1)
    or (resid   30 and name   HN) (resid   65 and name  HD2)
    or (resid   30 and name   HN) (resid   65 and name  HD1)
assign (resid   31 and name   HN) (resid   54 and name  HB2) 4.403 2.423 2.423 !HCNnoesy, no=506, id=2619, vol=1.760000e+07
    or (resid   31 and name   HN) (resid   54 and name  HB1)
    or (resid   31 and name   HN) (resid   56 and name  HB2)
    or (resid   31 and name   HN) (resid   56 and name  HB1)
    or (resid   31 and name   HN) (resid   58 and name  HB2)
    or (resid   31 and name   HN) (resid   58 and name  HB1)
    or (resid   31 and name   HN) (resid   66 and name   HA)
assign (resid   27 and name  HE1) (resid   24 and name   HA) 4.403 2.423 2.423 !HCNnoesy, no=507, id=2620, vol=2.680000e+07
    or (resid   27 and name  HE1) (resid   12 and name  HB2)
    or (resid   27 and name  HE1) (resid   12 and name  HB1)
assign (resid   47 and name   HN) (resid   49 and name  HB2) 3.986 1.986 1.986 !HCNnoesy, no=508, id=2621, vol=4.060000e+07
    or (resid   47 and name   HN) (resid   49 and name  HB1)
    or (resid   47 and name   HN) (resid   50 and name  HB2)
    or (resid   47 and name   HN) (resid   50 and name  HB1)
assign (resid   46 and name   HN) (resid   42 and name   HA) 4.181 2.185 2.185 !HCNnoesy, no=510, id=2623, vol=3.730000e+09
    or (resid   46 and name   HN) (resid   49 and name   HA)
assign (resid   46 and name   HN) (resid   14 and name  HB2) 3.840 1.843 1.843 !HCNnoesy, no=512, id=2625, vol=1.860000e+08
    or (resid   46 and name   HN) (resid   14 and name  HB1)
    or (resid   46 and name   HN) (resid   65 and name  HD2)
    or (resid   46 and name   HN) (resid   65 and name  HD1)
assign (resid   40 and name   HN) (resid   36 and name  HB2) 4.340 2.354 2.354 !HCNnoesy, no=515, id=2628, vol=1.300000e+07
    or (resid   40 and name   HN) (resid   36 and name  HB1)
    or (resid   40 and name   HN) (resid   36 and name  HB3)
    or (resid   40 and name   HN) (resid   44 and name  HB2)
    or (resid   40 and name   HN) (resid   44 and name  HB1)
    or (resid   40 and name   HN) (resid   44 and name  HB3)
assign (resid   14 and name   HN) (resid   23 and name HG22) 3.074 1.181 1.181 !HCNnoesy, no=520, id=2633, vol=1.150000e+08
    or (resid   14 and name   HN) (resid   23 and name HG21)
    or (resid   14 and name   HN) (resid   23 and name HG23)
    or (resid   14 and name   HN) (resid   28 and name HD12)
    or (resid   14 and name   HN) (resid   28 and name HD11)
    or (resid   14 and name   HN) (resid   28 and name HD13)
assign (resid   40 and name   HN) (resid   33 and name  HB2) 3.184 1.267 1.267 !HCNnoesy, no=521, id=2634, vol=1.400000e+08
    or (resid   40 and name   HN) (resid   33 and name  HB1)
    or (resid   40 and name   HN) (resid   41 and name  HB2)
    or (resid   40 and name   HN) (resid   41 and name  HB1)
assign (resid   40 and name   HN) (resid   17 and name  HG2) 5.021 3.152 3.152 !HCNnoesy, no=530, id=2643, vol=7.210000e+08
    or (resid   40 and name   HN) (resid   17 and name  HG1)
    or (resid   40 and name   HN) (resid   28 and name   HG)
assign (resid   40 and name   HN) (resid   23 and name HG22) 3.074 1.181 1.181 !HCNnoesy, no=532, id=2645, vol=1.830000e+07
    or (resid   40 and name   HN) (resid   23 and name HG21)
    or (resid   40 and name   HN) (resid   23 and name HG23)
    or (resid   40 and name   HN) (resid   28 and name HD12)
    or (resid   40 and name   HN) (resid   28 and name HD11)
    or (resid   40 and name   HN) (resid   28 and name HD13)
assign (resid   44 and name   HN) (resid   39 and name  HB2) 3.791 1.797 1.797 !HCNnoesy, no=535, id=2648, vol=5.580000e+07
    or (resid   44 and name   HN) (resid   39 and name  HB1)
    or (resid   44 and name   HN) (resid   39 and name  HB3)
    or (resid   44 and name   HN) (resid   45 and name  HB2)
    or (resid   44 and name   HN) (resid   45 and name  HB1)
    or (resid   44 and name   HN) (resid   45 and name  HB3)
assign (resid   28 and name   HN) (resid   29 and name  HB2) 4.056 2.057 2.057 !HCNnoesy, no=548, id=2661, vol=1.260480e+02
    or (resid   28 and name   HN) (resid   29 and name  HB1)
    or (resid   28 and name   HN) (resid   47 and name  HB2)
    or (resid   28 and name   HN) (resid   47 and name  HB1)
assign (resid   41 and name   HN) (resid   16 and name   HA) 4.137 2.139 2.139 !HCNnoesy, no=556, id=2667, vol=1.154570e+02
    or (resid   41 and name   HN) (resid   32 and name   HA)
    or (resid   41 and name   HN) (resid   35 and name   HA)
    or (resid   41 and name   HN) (resid   47 and name   HA)
    or (resid   41 and name   HN) (resid   50 and name   HA)
assign (resid   41 and name   HN) (resid   16 and name   HA) 4.282 2.292 2.292 !HCNnoesy, no=557, id=2668, vol=1.155230e+02
    or (resid   41 and name   HN) (resid   35 and name   HA)
    or (resid   41 and name   HN) (resid   47 and name   HA)
    or (resid   41 and name   HN) (resid   50 and name   HA)
assign (resid   42 and name   HN) (resid   17 and name  HD2) 3.953 1.954 1.954 !HCNnoesy, no=558, id=2669, vol=1.156260e+02
    or (resid   42 and name   HN) (resid   17 and name  HD1)
    or (resid   42 and name   HN) (resid   45 and name   HA)
assign (resid   47 and name   HN) (resid   28 and name HD12) 4.056 2.057 2.057 !HCNnoesy, no=560, id=2671, vol=1.172350e+02
    or (resid   47 and name   HN) (resid   28 and name HD11)
    or (resid   47 and name   HN) (resid   28 and name HD13)
    or (resid   47 and name   HN) (resid   66 and name HG22)
    or (resid   47 and name   HN) (resid   66 and name HG21)
    or (resid   47 and name   HN) (resid   66 and name HG23)
assign (resid   47 and name   HN) (resid   25 and name  HG2) 4.020 4.020 2.480 !HCNnoesy, no=561, id=2672, vol=1.174040e+02
    or (resid   47 and name   HN) (resid   25 and name  HG1)
    or (resid   47 and name   HN) (resid   41 and name  HG2)
    or (resid   47 and name   HN) (resid   41 and name  HG1)
assign (resid   27 and name   HN) (resid   23 and name   HB) 4.020 2.020 2.020 !HCNnoesy, no=563, id=2674, vol=1.176500e+02
    or (resid   27 and name   HN) (resid   29 and name  HB2)
    or (resid   27 and name   HN) (resid   29 and name  HB1)


#! H-bonding from initial structures and HDX protection:

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

assign (resid 28 and name HN) (resid 25 and name O) 1.7 0.0 0.5
assign (resid 28 and name N) (resid 25 and name O) 2.7 0.0 0.5

assign (resid 27 and name HN) (resid 24 and name O) 1.7 0.0 0.5
assign (resid 27 and name N) (resid 24 and name O) 2.7 0.0 0.5



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1   6.829   8.697   1.345
    2    H2   GLY   1           HT2      GLY   1   7.737   9.008   2.737
    3    H3   GLY   1           HT3      GLY   1   7.855  10.041   1.403
    4    HA2  GLY   1           HA1      GLY   1   6.238  11.301   2.194
    5    HA3  GLY   1           HA2      GLY   1   5.160   9.918   2.085
    6    H    SER   2           HN       SER   2   4.903   8.557   3.928
    7    HA   SER   2           HA       SER   2   5.429   9.984   6.438
    8    HB2  SER   2           HB2      SER   2   3.380   7.885   5.712
    9    HB3  SER   2           HB1      SER   2   3.637   8.460   7.359
   10    HG   SER   2           HG       SER   2   3.174  10.589   6.549
   11    H    LYS   2           HN       LYS   2   4.800   6.536   5.919
   12    HA   LYS   2           HA       LYS   2   7.201   5.944   7.498
   13    HB2  LYS   2           HB2      LYS   2   4.668   4.411   6.967
   14    HB3  LYS   2           HB1      LYS   2   6.095   3.625   7.626
   15    HG2  LYS   2           HG2      LYS   2   4.867   4.143   9.512
   16    HG3  LYS   2           HG1      LYS   2   6.013   5.481   9.415
   17    HD2  LYS   2           HD2      LYS   2   3.686   6.119   7.877
   18    HD3  LYS   2           HD1      LYS   2   3.192   5.601   9.489
   19    HE2  LYS   2           HE2      LYS   2   5.024   7.856   8.728
   20    HE3  LYS   2           HE1      LYS   2   3.514   7.931   9.636
   21    HZ1  LYS   2           HZ1      LYS   2   4.963   8.036  11.350
   22    HZ2  LYS   2           HZ2      LYS   2   6.189   7.203  10.537
   23    HZ3  LYS   2           HZ3      LYS   2   4.900   6.350  11.223
   24    H    LEU   2           HN       LEU   2   7.039   6.552   4.545
   25    HA   LEU   2           HA       LEU   2   7.785   4.029   3.323
   26    HB2  LEU   2           HB2      LEU   2   7.296   6.807   2.344
   27    HB3  LEU   2           HB1      LEU   2   8.253   5.721   1.354
   28    HG   LEU   2           HG       LEU   2   6.415   4.161   1.187
   29   HD11  LEU   2          HD11      LEU   2   5.541   4.608   3.492
   30   HD12  LEU   2          HD12      LEU   2   4.307   4.474   2.240
   31   HD13  LEU   2          HD13      LEU   2   4.776   6.062   2.850
   32   HD21  LEU   2          HD21      LEU   2   5.883   7.028   0.540
   33   HD22  LEU   2          HD22      LEU   2   4.653   5.807   0.212
   34   HD23  LEU   2          HD23      LEU   2   6.244   5.679  -0.539
   35    H    GLU   3           HN       GLU   3   9.782   3.278   3.525
   36    HA   GLU   3           HA       GLU   3  11.978   5.170   3.962
   37    HB2  GLU   3           HB2      GLU   3  13.206   2.883   4.440
   38    HB3  GLU   3           HB1      GLU   3  12.199   3.649   5.660
   39    HG2  GLU   3           HG2      GLU   3  11.781   1.263   5.537
   40    HG3  GLU   3           HG1      GLU   3  10.351   2.185   5.078
   41    H    GLY   4           HN       GLY   4  10.918   4.927   1.356
   42    HA2  GLY   4           HA2      GLY   4  12.046   5.057  -0.702
   43    HA3  GLY   4           HA1      GLY   4  13.345   4.085  -0.027
   44    H    LYS   5           HN       LYS   5   9.936   3.872  -1.012
   45    HA   LYS   5           HA       LYS   5  10.257   1.016  -1.498
   46    HB2  LYS   5           HB2      LYS   5   8.066   2.730  -0.819
   47    HB3  LYS   5           HB1      LYS   5   7.691   1.909  -2.328
   48    HG2  LYS   5           HG2      LYS   5   8.491   0.588   0.256
   49    HG3  LYS   5           HG1      LYS   5   6.865   0.658  -0.423
   50    HD2  LYS   5           HD2      LYS   5   7.613  -0.618  -2.366
   51    HD3  LYS   5           HD1      LYS   5   9.251  -0.667  -1.713
   52    HE2  LYS   5           HE2      LYS   5   8.164  -1.762   0.347
   53    HE3  LYS   5           HE1      LYS   5   6.779  -2.034  -0.709
   54    HZ1  LYS   5           HZ1      LYS   5   8.771  -3.757  -0.469
   55    HZ2  LYS   5           HZ2      LYS   5   9.377  -2.832  -1.750
   56    HZ3  LYS   5           HZ3      LYS   5   7.872  -3.591  -1.894
   57    H    THR   6           HN       THR   6   8.564   0.584  -3.602
   58    HA   THR   6           HA       THR   6   9.871   2.006  -5.826
   59    HB   THR   6           HB       THR   6  10.797  -0.166  -5.856
   60    HG1  THR   6           HG1      THR   6  10.263   0.127  -7.906
   61   HG21  THR   6          HG21      THR   6   9.380  -1.337  -4.323
   62   HG22  THR   6          HG22      THR   6   9.432  -2.221  -5.849
   63   HG23  THR   6          HG23      THR   6   8.022  -1.242  -5.443
   64    H    CYS   7           HN       CYS   7   8.575   1.553  -7.949
   65    HA   CYS   7           HA       CYS   7   5.696   1.720  -7.385
   66    HB2  CYS   7           HB2      CYS   7   6.364   3.383  -9.641
   67    HB3  CYS   7           HB1      CYS   7   5.526   3.813  -8.156
   68    H    GLY   8           HN       GLY   8   7.893  -0.128  -8.774
   69    HA2  GLY   8           HA2      GLY   8   7.051  -0.408 -11.459
   70    HA3  GLY   8           HA1      GLY   8   7.928  -1.611 -10.527
   71    HA   PRO   9           HA       PRO   9   4.435  -4.299 -10.641
   72    HB2  PRO   9           HB2      PRO   9   5.007  -4.872  -7.781
   73    HB3  PRO   9           HB1      PRO   9   4.878  -5.984  -9.146
   74    HG2  PRO   9           HG2      PRO   9   7.251  -5.380  -8.108
   75    HG3  PRO   9           HG1      PRO   9   7.045  -5.568  -9.859
   76    HD2  PRO   9           HD2      PRO   9   7.292  -3.072  -8.236
   77    HD3  PRO   9           HD1      PRO   9   7.957  -3.447  -9.838
   78    H    SER  10           HN       SER  10   2.888  -4.997  -8.333
   79    HA   SER  10           HA       SER  10   0.839  -3.162  -8.406
   80    HB2  SER  10           HB2      SER  10  -0.119  -4.313  -6.549
   81    HB3  SER  10           HB1      SER  10   0.793  -5.518  -7.457
   82    HG   SER  10           HG       SER  10   2.464  -5.316  -5.942
   83    H    SER  11           HN       SER  11   1.613  -1.046  -8.227
   84    HA   SER  11           HA       SER  11   2.099  -0.194  -5.472
   85    HB2  SER  11           HB2      SER  11   4.102  -0.228  -7.470
   86    HB3  SER  11           HB1      SER  11   3.651   1.461  -7.237
   87    HG   SER  11           HG       SER  11   4.574  -0.382  -5.296
   88    H    PHE  12           HN       PHE  12   2.105   2.316  -5.420
   89    HA   PHE  12           HA       PHE  12   0.246   3.499  -7.325
   90    HB2  PHE  12           HB2      PHE  12  -1.315   2.644  -5.740
   91    HB3  PHE  12           HB1      PHE  12  -0.321   3.154  -4.381
   92    HD1  PHE  12           HD1      PHE  12  -1.938   4.720  -7.364
   93    HD2  PHE  12           HD2      PHE  12  -1.087   4.951  -3.200
   94    HE1  PHE  12           HE1      PHE  12  -3.213   6.820  -7.224
   95    HE2  PHE  12           HE2      PHE  12  -2.360   7.051  -3.053
   96    HZ   PHE  12           HZ       PHE  12  -3.426   7.988  -5.065
   97    H    SER  13           HN       SER  13   0.913   5.505  -7.803
   98    HA   SER  13           HA       SER  13   3.118   6.677  -6.430
   99    HB2  SER  13           HB2      SER  13   2.567   6.927  -8.901
  100    HB3  SER  13           HB1      SER  13   1.324   8.077  -8.411
  101    HG   SER  13           HG       SER  13   4.030   8.331  -7.626
  102    H    CYS  14           HN       CYS  14   2.955   7.638  -4.508
  103    HA   CYS  14           HA       CYS  14   0.606   8.416  -3.262
  104    HB2  CYS  14           HB2      CYS  14   3.480   8.801  -2.778
  105    HB3  CYS  14           HB1      CYS  14   2.459  10.044  -2.070
  106    HA   PRO  15           HA       PRO  15  -0.429  11.935  -5.891
  107    HB2  PRO  15           HB2      PRO  15  -2.399  12.223  -3.671
  108    HB3  PRO  15           HB1      PRO  15  -2.657  12.275  -5.417
  109    HG2  PRO  15           HG2      PRO  15  -3.346  10.120  -4.042
  110    HG3  PRO  15           HG1      PRO  15  -2.577   9.960  -5.632
  111    HD2  PRO  15           HD2      PRO  15  -1.398   9.577  -2.913
  112    HD3  PRO  15           HD1      PRO  15  -1.100   8.668  -4.406
  113    H    GLY  16           HN       GLY  16   0.472  13.888  -5.832
  114    HA2  GLY  16           HA2      GLY  16   0.901  16.015  -4.915
  115    HA3  GLY  16           HA1      GLY  16   0.589  15.363  -3.314
  116    H    THR  17           HN       THR  17   2.411  13.035  -4.025
  117    HA   THR  17           HA       THR  17   4.979  14.452  -3.783
  118    HB   THR  17           HB       THR  17   5.663  12.568  -2.232
  119    HG1  THR  17           HG1      THR  17   3.578  11.405  -2.924
  120   HG21  THR  17          HG21      THR  17   3.396  13.884  -0.880
  121   HG22  THR  17          HG22      THR  17   4.632  14.931  -1.579
  122   HG23  THR  17          HG23      THR  17   5.080  13.715  -0.382
  123    H    HIS  18           HN       HIS  18   6.682  13.617  -4.887
  124    HA   HIS  18           HA       HIS  18   6.254  12.010  -7.123
  125    HB2  HIS  18           HB2      HIS  18   8.776  11.813  -7.160
  126    HB3  HIS  18           HB1      HIS  18   8.150  13.458  -7.093
  127    HD1  HIS  18           HD1      HIS  18  10.212  11.024  -5.185
  128    HD2  HIS  18           HD2      HIS  18   8.509  14.769  -4.618
  129    HE1  HIS  18           HE1      HIS  18  11.299  11.993  -3.117
  130    H    VAL  19           HN       VAL  19   6.789  11.149  -3.842
  131    HA   VAL  19           HA       VAL  19   7.957   8.635  -4.063
  132    HB   VAL  19           HB       VAL  19   7.689   9.765  -1.927
  133   HG11  VAL  19          HG11      VAL  19   5.776  10.695  -1.305
  134   HG12  VAL  19          HG12      VAL  19   4.988   9.117  -1.282
  135   HG13  VAL  19          HG13      VAL  19   5.011  10.069  -2.766
  136   HG21  VAL  19          HG21      VAL  19   7.259   7.880  -0.601
  137   HG22  VAL  19          HG22      VAL  19   7.804   7.220  -2.144
  138   HG23  VAL  19          HG23      VAL  19   6.085   7.235  -1.749
  139    H    CYS  20           HN       CYS  20   7.039   6.522  -3.937
  140    HA   CYS  20           HA       CYS  20   4.281   6.310  -4.935
  141    HB2  CYS  20           HB2      CYS  20   5.160   4.266  -6.238
  142    HB3  CYS  20           HB1      CYS  20   5.497   5.868  -6.883
  143    H    VAL  21           HN       VAL  21   3.106   5.279  -3.491
  144    HA   VAL  21           HA       VAL  21   4.365   3.423  -1.628
  145    HB   VAL  21           HB       VAL  21   2.886   5.129  -0.695
  146   HG11  VAL  21          HG11      VAL  21   0.397   3.928  -1.642
  147   HG12  VAL  21          HG12      VAL  21   1.333   4.721  -2.904
  148   HG13  VAL  21          HG13      VAL  21   0.847   5.622  -1.473
  149   HG21  VAL  21          HG21      VAL  21   1.667   2.390  -0.463
  150   HG22  VAL  21          HG22      VAL  21   1.544   3.702   0.710
  151   HG23  VAL  21          HG23      VAL  21   3.103   2.932   0.407
  152    HA   PRO  22           HA       PRO  22   3.131  -0.189  -3.918
  153    HB2  PRO  22           HB2      PRO  22   3.066  -1.438  -1.227
  154    HB3  PRO  22           HB1      PRO  22   3.940  -1.931  -2.681
  155    HG2  PRO  22           HG2      PRO  22   5.224  -0.795  -0.648
  156    HG3  PRO  22           HG1      PRO  22   5.655  -0.418  -2.323
  157    HD2  PRO  22           HD2      PRO  22   4.069   1.189  -0.364
  158    HD3  PRO  22           HD1      PRO  22   5.264   1.730  -1.561
  159    H    GLU  23           HN       GLU  23   1.340  -1.565  -4.186
  160    HA   GLU  23           HA       GLU  23  -1.152  -0.472  -3.444
  161    HB2  GLU  23           HB2      GLU  23  -0.310  -2.235  -5.352
  162    HB3  GLU  23           HB1      GLU  23  -1.151  -3.306  -4.239
  163    HG2  GLU  23           HG2      GLU  23  -3.152  -1.926  -4.414
  164    HG3  GLU  23           HG1      GLU  23  -2.310  -0.840  -5.518
  165    H    ARG  24           HN       ARG  24   0.859  -2.965  -2.048
  166    HA   ARG  24           HA       ARG  24  -1.090  -4.164  -0.390
  167    HB2  ARG  24           HB2      ARG  24   1.591  -4.591  -0.927
  168    HB3  ARG  24           HB1      ARG  24   1.601  -4.078   0.753
  169    HG2  ARG  24           HG2      ARG  24   0.130  -6.402  -0.430
  170    HG3  ARG  24           HG1      ARG  24   1.480  -6.430   0.698
  171    HD2  ARG  24           HD2      ARG  24  -0.992  -4.991   1.496
  172    HD3  ARG  24           HD1      ARG  24  -1.009  -6.751   1.517
  173    HE   ARG  24           HE       ARG  24   1.252  -5.601   2.867
  174   HH11  ARG  24          HH11      ARG  24  -2.078  -6.592   3.197
  175   HH12  ARG  24          HH12      ARG  24  -1.977  -6.797   4.913
  176   HH21  ARG  24          HH21      ARG  24   1.385  -5.875   5.124
  177   HH22  ARG  24          HH22      ARG  24  -0.012  -6.390   6.007
  178    H    TRP  25           HN       TRP  25   0.906  -1.329  -0.093
  179    HA   TRP  25           HA       TRP  25   0.392  -0.913   2.690
  180    HB2  TRP  25           HB2      TRP  25   1.485   0.934   0.563
  181    HB3  TRP  25           HB1      TRP  25   1.496   1.282   2.287
  182    HD1  TRP  25           HD1      TRP  25   2.314  -2.281   1.299
  183    HE1  TRP  25           HE1      TRP  25   4.820  -2.720   1.654
  184    HE3  TRP  25           HE3      TRP  25   3.863   2.511   2.215
  185    HZ2  TRP  25           HZ2      TRP  25   7.146  -1.245   2.244
  186    HZ3  TRP  25           HZ3      TRP  25   6.250   2.901   2.670
  187    HH2  TRP  25           HH2      TRP  25   7.855   1.064   2.683
  188    H    LEU  26           HN       LEU  26  -1.165  -0.046  -0.296
  189    HA   LEU  26           HA       LEU  26  -2.610   2.171   0.173
  190    HB2  LEU  26           HB2      LEU  26  -3.042  -0.258  -1.334
  191    HB3  LEU  26           HB1      LEU  26  -4.542   0.496  -0.853
  192    HG   LEU  26           HG       LEU  26  -4.140   2.404  -2.124
  193   HD11  LEU  26          HD11      LEU  26  -2.049   3.182  -1.535
  194   HD12  LEU  26          HD12      LEU  26  -1.799   2.692  -3.211
  195   HD13  LEU  26          HD13      LEU  26  -1.261   1.645  -1.898
  196   HD21  LEU  26          HD21      LEU  26  -3.186   1.508  -4.338
  197   HD22  LEU  26          HD22      LEU  26  -4.651   0.771  -3.689
  198   HD23  LEU  26          HD23      LEU  26  -3.095  -0.040  -3.495
  199    H    CYS  27           HN       CYS  27  -4.311  -0.867   0.764
  200    HA   CYS  27           HA       CYS  27  -5.806   0.447   2.887
  201    HB2  CYS  27           HB2      CYS  27  -6.228  -2.315   1.751
  202    HB3  CYS  27           HB1      CYS  27  -7.356  -1.375   2.721
  203    H    ASP  28           HN       ASP  28  -3.060  -0.220   3.452
  204    HA   ASP  28           HA       ASP  28  -2.997  -2.595   5.042
  205    HB2  ASP  28           HB2      ASP  28  -0.793  -1.891   5.713
  206    HB3  ASP  28           HB1      ASP  28  -0.971  -1.556   3.994
  207    H    GLY  29           HN       GLY  29  -3.957   0.684   5.524
  208    HA2  GLY  29           HA2      GLY  29  -5.415   1.257   7.321
  209    HA3  GLY  29           HA1      GLY  29  -4.624   0.043   8.307
  210    H    ASP  30           HN       ASP  30  -3.109   2.566   6.336
  211    HA   ASP  30           HA       ASP  30  -2.581   4.305   8.526
  212    HB2  ASP  30           HB2      ASP  30  -0.584   2.208   7.870
  213    HB3  ASP  30           HB1      ASP  30   0.037   3.829   8.163
  214    H    LYS  31           HN       LYS  31  -2.817   6.153   7.441
  215    HA   LYS  31           HA       LYS  31  -2.400   6.561   4.730
  216    HB2  LYS  31           HB2      LYS  31  -2.288   8.574   6.972
  217    HB3  LYS  31           HB1      LYS  31  -2.417   8.978   5.269
  218    HG2  LYS  31           HG2      LYS  31  -4.548   7.767   5.155
  219    HG3  LYS  31           HG1      LYS  31  -4.427   7.425   6.882
  220    HD2  LYS  31           HD2      LYS  31  -5.003   9.528   7.471
  221    HD3  LYS  31           HD1      LYS  31  -4.143  10.255   6.113
  222    HE2  LYS  31           HE2      LYS  31  -6.165  10.627   5.240
  223    HE3  LYS  31           HE1      LYS  31  -6.186   8.901   4.879
  224    HZ1  LYS  31           HZ1      LYS  31  -7.045   8.868   7.385
  225    HZ2  LYS  31           HZ2      LYS  31  -8.087   9.006   6.059
  226    HZ3  LYS  31           HZ3      LYS  31  -7.628  10.387   6.921
  227    H    ASP  32           HN       ASP  32  -0.462   5.748   4.019
  228    HA   ASP  32           HA       ASP  32   2.040   6.592   5.146
  229    HB2  ASP  32           HB2      ASP  32   1.164   4.772   2.992
  230    HB3  ASP  32           HB1      ASP  32   2.731   5.531   2.748
  231    H    CYS  33           HN       CYS  33  -0.009   7.540   2.477
  232    HA   CYS  33           HA       CYS  33   1.908   9.197   1.174
  233    HB2  CYS  33           HB2      CYS  33  -1.094   8.982   1.038
  234    HB3  CYS  33           HB1      CYS  33  -0.221  10.209   0.133
  235    H    ALA  34           HN       ALA  34   0.926  11.611   0.789
  236    HA   ALA  34           HA       ALA  34   1.430  12.943   3.265
  237    HB1  ALA  34           HB1      ALA  34   1.675  14.836   2.022
  238    HB2  ALA  34           HB2      ALA  34   0.353  14.423   0.930
  239    HB3  ALA  34           HB3      ALA  34   1.919  13.630   0.758
  240    H    ASP  35           HN       ASP  35  -1.411  12.138   1.391
  241    HA   ASP  35           HA       ASP  35  -3.075  13.335   3.505
  242    HB2  ASP  35           HB2      ASP  35  -3.334  13.546   0.533
  243    HB3  ASP  35           HB1      ASP  35  -4.792  13.549   1.520
  244    H    GLY  36           HN       GLY  36  -2.113  10.591   3.265
  245    HA2  GLY  36           HA2      GLY  36  -2.938   8.458   3.518
  246    HA3  GLY  36           HA1      GLY  36  -4.477   9.221   3.881
  247    H    ALA  37           HN       ALA  37  -3.051   9.889   0.819
  248    HA   ALA  37           HA       ALA  37  -5.237   9.036  -0.667
  249    HB1  ALA  37           HB1      ALA  37  -3.989  10.402  -1.955
  250    HB2  ALA  37           HB2      ALA  37  -3.267   8.886  -2.498
  251    HB3  ALA  37           HB3      ALA  37  -2.469   9.848  -1.253
  252    H    ASP  38           HN       ASP  38  -2.343   7.322   0.326
  253    HA   ASP  38           HA       ASP  38  -2.573   5.060  -1.303
  254    HB2  ASP  38           HB2      ASP  38  -0.531   5.333  -0.161
  255    HB3  ASP  38           HB1      ASP  38  -1.325   5.557   1.381
  256    H    GLU  39           HN       GLU  39  -4.006   5.808   1.853
  257    HA   GLU  39           HA       GLU  39  -5.410   3.257   1.886
  258    HB2  GLU  39           HB2      GLU  39  -6.303   5.150   3.901
  259    HB3  GLU  39           HB1      GLU  39  -5.633   3.543   4.102
  260    HG2  GLU  39           HG2      GLU  39  -4.102   6.110   3.815
  261    HG3  GLU  39           HG1      GLU  39  -4.294   5.148   5.274
  262    H    SER  40           HN       SER  40  -5.914   6.436   0.786
  263    HA   SER  40           HA       SER  40  -8.756   6.481   0.996
  264    HB2  SER  40           HB2      SER  40  -6.968   8.073  -0.849
  265    HB3  SER  40           HB1      SER  40  -8.644   8.441  -0.453
  266    HG   SER  40           HG       SER  40  -6.674   8.226   1.556
  267    H    ILE  41           HN       ILE  41  -9.983   6.923  -1.189
  268    HA   ILE  41           HA       ILE  41  -9.874   4.446  -2.629
  269    HB   ILE  41           HB       ILE  41 -12.002   5.560  -2.079
  270   HG12  ILE  41          HG12      ILE  41 -12.944   5.428  -4.482
  271   HG13  ILE  41          HG11      ILE  41 -11.305   4.985  -4.941
  272   HG21  ILE  41          HG21      ILE  41 -12.740   7.506  -3.322
  273   HG22  ILE  41          HG22      ILE  41 -11.186   7.582  -4.156
  274   HG23  ILE  41          HG23      ILE  41 -11.270   7.871  -2.417
  275   HD11  ILE  41          HD11      ILE  41 -13.368   3.426  -3.592
  276   HD12  ILE  41          HD12      ILE  41 -11.769   3.304  -2.858
  277   HD13  ILE  41          HD13      ILE  41 -11.991   2.899  -4.560
  278    H    ALA  42           HN       ALA  42  -8.653   7.645  -3.066
  279    HA   ALA  42           HA       ALA  42  -8.396   7.873  -5.808
  280    HB1  ALA  42           HB1      ALA  42  -7.653   9.776  -4.839
  281    HB2  ALA  42           HB2      ALA  42  -6.083   8.988  -4.998
  282    HB3  ALA  42           HB3      ALA  42  -6.949   8.926  -3.462
  283    H    ALA  43           HN       ALA  43  -6.692   5.843  -3.568
  284    HA   ALA  43           HA       ALA  43  -4.670   5.063  -5.508
  285    HB1  ALA  43           HB1      ALA  43  -3.671   3.824  -3.737
  286    HB2  ALA  43           HB2      ALA  43  -5.138   3.926  -2.761
  287    HB3  ALA  43           HB3      ALA  43  -4.180   5.373  -3.065
  288    H    GLY  44           HN       GLY  44  -7.717   3.990  -4.282
  289    HA2  GLY  44           HA2      GLY  44  -8.980   2.443  -5.666
  290    HA3  GLY  44           HA1      GLY  44  -7.484   1.558  -5.932
  291    H    CYS  45           HN       CYS  45  -8.586   2.827  -2.835
  292    HA   CYS  45           HA       CYS  45  -8.299   0.232  -1.644
  293    HB2  CYS  45           HB2      CYS  45  -7.836   2.589  -0.602
  294    HB3  CYS  45           HB1      CYS  45  -9.554   2.563  -0.228
  295    H    LEU  46           HN       LEU  46 -10.736   1.677  -3.361
  296    HA   LEU  46           HA       LEU  46 -12.884   1.129  -3.807
  297    HB2  LEU  46           HB2      LEU  46 -12.413  -1.294  -2.088
  298    HB3  LEU  46           HB1      LEU  46 -13.658  -1.090  -3.302
  299    HG   LEU  46           HG       LEU  46 -12.255  -2.276  -4.593
  300   HD11  LEU  46          HD11      LEU  46 -10.523   0.161  -4.773
  301   HD12  LEU  46          HD12      LEU  46 -12.161   0.137  -5.426
  302   HD13  LEU  46          HD13      LEU  46 -10.952  -0.992  -6.036
  303   HD21  LEU  46          HD21      LEU  46 -10.402  -1.723  -2.425
  304   HD22  LEU  46          HD22      LEU  46  -9.607  -1.830  -3.995
  305   HD23  LEU  46          HD23      LEU  46 -10.594  -3.170  -3.414
  306    H    TYR  47           HN       TYR  47 -12.105   2.480  -1.110
  307    HA   TYR  47           HA       TYR  47 -14.738   2.929  -0.259
  308    HB2  TYR  47           HB2      TYR  47 -14.619   1.814   1.990
  309    HB3  TYR  47           HB1      TYR  47 -14.766   0.721   0.623
  310    HD1  TYR  47           HD1      TYR  47 -12.177   2.257   2.825
  311    HD2  TYR  47           HD2      TYR  47 -13.321  -1.085   0.451
  312    HE1  TYR  47           HE1      TYR  47 -10.180   1.042   3.586
  313    HE2  TYR  47           HE2      TYR  47 -11.329  -2.309   1.211
  314    HH   TYR  47           HH       TYR  47  -9.180  -1.929   2.153
  315    H    ASN  48           HN       ASN  48 -11.339   2.909   0.660
  316    HA   ASN  48           HA       ASN  48 -10.039   4.510   1.621
  317    HB2  ASN  48           HB2      ASN  48 -11.046   6.119   0.156
  318    HB3  ASN  48           HB1      ASN  48 -12.482   6.220   1.153
  319   HD21  ASN  48          HD21      ASN  48 -11.884   8.543   0.941
  320   HD22  ASN  48          HD22      ASN  48 -10.823   9.201   2.136
  321    H    SER  49           HN       SER  49  -9.596   3.943   3.639
  322    HA   SER  49           HA       SER  49  -9.636   3.900   5.903
  323    HB2  SER  49           HB2      SER  49 -11.196   6.225   5.210
  324    HB3  SER  49           HB1      SER  49 -11.826   5.480   6.679
  325    HG   SER  49           HG       SER  49  -9.083   6.069   6.266
  326    H    THR  50           HN       THR  50 -13.089   4.254   5.091
  327    HA   THR  50           HA       THR  50 -14.254   2.736   6.979
  328    HB   THR  50           HB       THR  50 -15.882   2.001   5.070
  329    HG1  THR  50           HG1      THR  50 -15.611   3.097   3.178
  330   HG21  THR  50          HG21      THR  50 -16.580   4.486   4.780
  331   HG22  THR  50          HG22      THR  50 -15.361   4.774   6.022
  332   HG23  THR  50          HG23      THR  50 -16.723   3.704   6.354
  333    H    GLY  51           HN       GLY  51 -13.736   0.820   7.780
  334    HA2  GLY  51           HA2      GLY  51 -13.828  -1.550   7.640
  335    HA3  GLY  51           HA1      GLY  51 -13.443  -1.437   5.932
  336    H    SER  52           HN       SER  52 -11.440   0.636   7.606
  337    HA   SER  52           HA       SER  52  -9.197   0.631   7.966
  338    HB2  SER  52           HB2      SER  52  -8.418  -1.447   9.327
  339    HB3  SER  52           HB1      SER  52  -9.589  -0.341  10.044
  340    HG   SER  52           HG       SER  52 -10.372  -2.390  10.332
  341    H    GLY  53           HN       GLY  53  -9.208  -2.886   7.690
  342    HA2  GLY  53           HA2      GLY  53  -7.440  -2.602   5.351
  343    HA3  GLY  53           HA1      GLY  53  -7.441  -3.965   6.461
  344    H    SER  54           HN       SER  54 -10.391  -2.573   5.231
  345    HA   SER  54           HA       SER  54 -10.740  -4.192   2.966
  346    HB2  SER  54           HB2      SER  54 -10.737  -6.026   4.623
  347    HB3  SER  54           HB1      SER  54 -12.089  -5.261   5.458
  348    HG   SER  54           HG       SER  54 -12.027  -6.603   3.008
  349    H    GLY  55           HN       GLY  55 -13.489  -4.633   3.027
  350    HA2  GLY  55           HA2      GLY  55 -15.205  -2.815   4.061
  351    HA3  GLY  55           HA1      GLY  55 -14.427  -1.912   2.772
  352    H    SER  56           HN       SER  56 -14.660  -2.672   0.589
  353    HA   SER  56           HA       SER  56 -17.264  -3.342  -0.097
  354    HB2  SER  56           HB2      SER  56 -14.898  -2.674  -1.471
  355    HB3  SER  56           HB1      SER  56 -15.440  -4.202  -2.163
  356    HG   SER  56           HG       SER  56 -16.338  -1.909  -2.818
  357    H    GLY  57           HN       GLY  57 -14.427  -5.428   0.275
  358    HA2  GLY  57           HA2      GLY  57 -15.619  -7.673   1.184
  359    HA3  GLY  57           HA1      GLY  57 -15.890  -7.786  -0.548
  360    H    SER 129           HN       SER 129 -14.635  -9.762  -0.396
  361    HA   SER 129           HA       SER 129 -11.993  -9.940   0.450
  362    HB2  SER 129           HB2      SER 129 -13.194 -11.428  -1.895
  363    HB3  SER 129           HB1      SER 129 -11.835 -11.941  -0.895
  364    HG   SER 129           HG       SER 129 -13.680 -12.988  -0.189
  365    H    THR 130           HN       THR 130 -13.317  -8.797  -2.598
  366    HA   THR 130           HA       THR 130 -11.108  -8.743  -4.223
  367    HB   THR 130           HB       THR 130 -13.035  -6.434  -4.023
  368    HG1  THR 130           HG1      THR 130 -13.419  -8.971  -5.229
  369   HG21  THR 130          HG21      THR 130 -12.829  -6.792  -6.603
  370   HG22  THR 130          HG22      THR 130 -11.289  -7.532  -6.160
  371   HG23  THR 130          HG23      THR 130 -11.624  -5.857  -5.716
  372    H    GLU 131           HN       GLU 131 -11.974  -6.474  -1.670
  373    HA   GLU 131           HA       GLU 131  -9.988  -4.558  -2.132
  374    HB2  GLU 131           HB2      GLU 131 -11.530  -5.380   0.313
  375    HB3  GLU 131           HB1      GLU 131 -10.312  -4.112   0.390
  376    HG2  GLU 131           HG2      GLU 131 -12.644  -3.301   0.087
  377    HG3  GLU 131           HG1      GLU 131 -11.510  -2.758  -1.149
  378    H    GLU 132           HN       GLU 132  -9.961  -7.511  -0.190
  379    HA   GLU 132           HA       GLU 132  -7.261  -7.071   0.719
  380    HB2  GLU 132           HB2      GLU 132  -8.745  -9.688   0.841
  381    HB3  GLU 132           HB1      GLU 132  -7.478  -9.102   1.910
  382    HG2  GLU 132           HG2      GLU 132  -9.254  -7.214   2.396
  383    HG3  GLU 132           HG1      GLU 132 -10.373  -8.469   1.867
  384    H    LEU 133           HN       LEU 133  -8.836  -8.597  -1.945
  385    HA   LEU 133           HA       LEU 133  -6.881 -10.438  -2.724
  386    HB2  LEU 133           HB2      LEU 133  -9.193  -9.100  -3.945
  387    HB3  LEU 133           HB1      LEU 133  -7.965  -9.599  -5.091
  388    HG   LEU 133           HG       LEU 133  -8.194 -11.891  -4.474
  389   HD11  LEU 133          HD11      LEU 133  -9.076 -10.841  -1.993
  390   HD12  LEU 133          HD12      LEU 133  -8.724 -12.515  -2.417
  391   HD13  LEU 133          HD13      LEU 133 -10.354 -11.876  -2.629
  392   HD21  LEU 133          HD21      LEU 133  -9.900 -11.850  -5.905
  393   HD22  LEU 133          HD22      LEU 133 -10.483 -10.305  -5.285
  394   HD23  LEU 133          HD23      LEU 133 -10.962 -11.810  -4.497
  395    H    ARG 134           HN       ARG 134  -7.233  -6.989  -3.380
  396    HA   ARG 134           HA       ARG 134  -4.965  -6.924  -5.161
  397    HB2  ARG 134           HB2      ARG 134  -5.366  -4.540  -5.293
  398    HB3  ARG 134           HB1      ARG 134  -6.894  -5.397  -5.443
  399    HG2  ARG 134           HG2      ARG 134  -7.376  -4.920  -3.086
  400    HG3  ARG 134           HG1      ARG 134  -5.861  -4.024  -2.970
  401    HD2  ARG 134           HD2      ARG 134  -8.071  -3.354  -4.907
  402    HD3  ARG 134           HD1      ARG 134  -7.898  -2.610  -3.319
  403    HE   ARG 134           HE       ARG 134  -6.074  -1.413  -4.090
  404   HH11  ARG 134          HH11      ARG 134  -7.115  -3.704  -6.514
  405   HH12  ARG 134          HH12      ARG 134  -6.170  -2.985  -7.773
  406   HH21  ARG 134          HH21      ARG 134  -4.835  -0.471  -5.748
  407   HH22  ARG 134          HH22      ARG 134  -4.876  -1.152  -7.340
  408    H    VAL 135           HN       VAL 135  -5.605  -6.296  -1.783
  409    HA   VAL 135           HA       VAL 135  -2.999  -5.098  -1.353
  410    HB   VAL 135           HB       VAL 135  -5.112  -5.861   0.667
  411   HG11  VAL 135          HG11      VAL 135  -2.926  -5.661   1.688
  412   HG12  VAL 135          HG12      VAL 135  -3.931  -4.286   2.146
  413   HG13  VAL 135          HG13      VAL 135  -2.682  -4.094   0.915
  414   HG21  VAL 135          HG21      VAL 135  -6.269  -4.127  -0.105
  415   HG22  VAL 135          HG22      VAL 135  -4.978  -3.701  -1.228
  416   HG23  VAL 135          HG23      VAL 135  -4.952  -3.079   0.421
  417    H    ARG 136           HN       ARG 136  -4.691  -7.857   0.152
  418    HA   ARG 136           HA       ARG 136  -2.635  -9.044   1.471
  419    HB2  ARG 136           HB2      ARG 136  -4.961  -9.814   1.553
  420    HB3  ARG 136           HB1      ARG 136  -4.807 -10.466  -0.074
  421    HG2  ARG 136           HG2      ARG 136  -2.706 -11.581   1.407
  422    HG3  ARG 136           HG1      ARG 136  -4.135 -11.663   2.438
  423    HD2  ARG 136           HD2      ARG 136  -4.632 -13.525   1.302
  424    HD3  ARG 136           HD1      ARG 136  -5.124 -12.436   0.006
  425    HE   ARG 136           HE       ARG 136  -2.327 -13.151  -0.005
  426   HH11  ARG 136          HH11      ARG 136  -5.526 -13.959  -1.147
  427   HH12  ARG 136          HH12      ARG 136  -4.948 -14.850  -2.514
  428   HH21  ARG 136          HH21      ARG 136  -1.567 -14.325  -1.802
  429   HH22  ARG 136          HH22      ARG 136  -2.701 -15.059  -2.885
  430    H    LEU 137           HN       LEU 137  -3.510  -9.746  -1.916
  431    HA   LEU 137           HA       LEU 137  -1.686 -11.680  -2.521
  432    HB2  LEU 137           HB2      LEU 137  -3.474 -10.622  -3.994
  433    HB3  LEU 137           HB1      LEU 137  -2.264  -9.425  -4.418
  434    HG   LEU 137           HG       LEU 137  -2.515 -11.290  -6.067
  435   HD11  LEU 137          HD11      LEU 137   0.242 -11.621  -5.135
  436   HD12  LEU 137          HD12      LEU 137  -0.288  -9.946  -5.285
  437   HD13  LEU 137          HD13      LEU 137  -0.375 -11.027  -6.677
  438   HD21  LEU 137          HD21      LEU 137  -2.664 -12.945  -3.978
  439   HD22  LEU 137          HD22      LEU 137  -0.937 -13.076  -4.312
  440   HD23  LEU 137          HD23      LEU 137  -2.111 -13.465  -5.570
  441    H    ALA 138           HN       ALA 138  -1.007  -8.289  -2.024
  442    HA   ALA 138           HA       ALA 138   1.718  -8.632  -3.030
  443    HB1  ALA 138           HB1      ALA 138  -0.026  -6.305  -2.464
  444    HB2  ALA 138           HB2      ALA 138   1.024  -6.630  -3.844
  445    HB3  ALA 138           HB3      ALA 138   1.718  -6.082  -2.318
  446    H    SER 139           HN       SER 139   0.124  -9.006  -0.128
  447    HA   SER 139           HA       SER 139   1.934  -7.794   1.673
  448    HB2  SER 139           HB2      SER 139  -0.129  -8.220   2.616
  449    HB3  SER 139           HB1      SER 139  -0.234  -9.841   1.930
  450    HG   SER 139           HG       SER 139   1.545  -9.036   3.993
  451    H    HIS 140           HN       HIS 140   2.471 -10.402  -0.346
  452    HA   HIS 140           HA       HIS 140   4.245 -11.739   1.553
  453    HB2  HIS 140           HB2      HIS 140   4.452 -12.933  -1.028
  454    HB3  HIS 140           HB1      HIS 140   3.766 -13.610   0.440
  455    HD1  HIS 140           HD1      HIS 140   1.154 -11.983   0.637
  456    HD2  HIS 140           HD2      HIS 140   2.649 -13.598  -2.885
  457    HE1  HIS 140           HE1      HIS 140  -0.819 -12.243  -0.921
  458    H    LEU 141           HN       LEU 141   4.447  -9.166  -0.488
  459    HA   LEU 141           HA       LEU 141   7.342  -9.540  -0.758
  460    HB2  LEU 141           HB2      LEU 141   6.443 -10.025  -2.937
  461    HB3  LEU 141           HB1      LEU 141   5.481  -8.558  -2.913
  462    HG   LEU 141           HG       LEU 141   8.075  -7.644  -2.546
  463   HD11  LEU 141          HD11      LEU 141   9.038  -9.762  -3.100
  464   HD12  LEU 141          HD12      LEU 141   9.305  -8.650  -4.443
  465   HD13  LEU 141          HD13      LEU 141   8.049  -9.883  -4.556
  466   HD21  LEU 141          HD21      LEU 141   6.355  -6.566  -3.874
  467   HD22  LEU 141          HD22      LEU 141   6.454  -7.850  -5.080
  468   HD23  LEU 141          HD23      LEU 141   7.828  -6.773  -4.823
  469    H    ARG 142           HN       ARG 142   4.953  -7.026  -1.598
  470    HA   ARG 142           HA       ARG 142   6.460  -4.806  -1.181
  471    HB2  ARG 142           HB2      ARG 142   3.535  -5.231  -0.586
  472    HB3  ARG 142           HB1      ARG 142   4.301  -3.650  -0.528
  473    HG2  ARG 142           HG2      ARG 142   3.909  -5.432  -2.909
  474    HG3  ARG 142           HG1      ARG 142   3.262  -3.818  -2.635
  475    HD2  ARG 142           HD2      ARG 142   5.811  -3.180  -2.507
  476    HD3  ARG 142           HD1      ARG 142   6.003  -4.664  -3.440
  477    HE   ARG 142           HE       ARG 142   4.021  -2.822  -4.458
  478   HH11  ARG 142          HH11      ARG 142   7.355  -3.854  -4.580
  479   HH12  ARG 142          HH12      ARG 142   7.635  -3.175  -6.147
  480   HH21  ARG 142          HH21      ARG 142   4.389  -1.932  -6.514
  481   HH22  ARG 142          HH22      ARG 142   5.953  -2.077  -7.243
  482    H    LYS 143           HN       LYS 143   4.492  -6.392   1.344
  483    HA   LYS 143           HA       LYS 143   5.820  -4.755   3.366
  484    HB2  LYS 143           HB2      LYS 143   3.221  -5.754   3.109
  485    HB3  LYS 143           HB1      LYS 143   3.936  -6.681   4.422
  486    HG2  LYS 143           HG2      LYS 143   3.017  -4.880   5.525
  487    HG3  LYS 143           HG1      LYS 143   4.693  -4.375   5.316
  488    HD2  LYS 143           HD2      LYS 143   3.870  -2.509   4.405
  489    HD3  LYS 143           HD1      LYS 143   3.472  -3.503   3.003
  490    HE2  LYS 143           HE2      LYS 143   1.444  -2.515   3.460
  491    HE3  LYS 143           HE1      LYS 143   1.303  -4.037   4.339
  492    HZ1  LYS 143           HZ1      LYS 143   1.165  -1.410   5.341
  493    HZ2  LYS 143           HZ2      LYS 143   2.478  -2.196   6.063
  494    HZ3  LYS 143           HZ3      LYS 143   0.930  -2.869   6.165
  495    H    LEU 144           HN       LEU 144   5.709  -8.027   2.185
  496    HA   LEU 144           HA       LEU 144   7.298  -8.987   4.442
  497    HB2  LEU 144           HB2      LEU 144   5.638 -10.243   2.342
  498    HB3  LEU 144           HB1      LEU 144   7.051 -11.151   2.849
  499    HG   LEU 144           HG       LEU 144   4.921 -10.142   4.734
  500   HD11  LEU 144          HD11      LEU 144   5.133 -12.606   3.117
  501   HD12  LEU 144          HD12      LEU 144   3.708 -11.762   3.723
  502   HD13  LEU 144          HD13      LEU 144   4.643 -12.800   4.800
  503   HD21  LEU 144          HD21      LEU 144   6.020 -11.938   6.189
  504   HD22  LEU 144          HD22      LEU 144   6.883 -10.415   5.971
  505   HD23  LEU 144          HD23      LEU 144   7.369 -11.843   5.057
  506    H    ARG 145           HN       ARG 145   8.300  -7.131   2.306
  507    HA   ARG 145           HA       ARG 145  10.886  -8.194   2.042
  508    HB2  ARG 145           HB2      ARG 145   9.086  -9.148   0.081
  509    HB3  ARG 145           HB1      ARG 145  10.134  -7.984  -0.718
  510    HG2  ARG 145           HG2      ARG 145  11.544  -9.843   1.041
  511    HG3  ARG 145           HG1      ARG 145  10.718 -10.610  -0.315
  512    HD2  ARG 145           HD2      ARG 145  12.028  -8.272  -1.268
  513    HD3  ARG 145           HD1      ARG 145  13.179  -9.197  -0.305
  514    HE   ARG 145           HE       ARG 145  12.195  -9.868  -2.882
  515   HH11  ARG 145          HH11      ARG 145  13.188 -11.281   0.151
  516   HH12  ARG 145          HH12      ARG 145  13.654 -12.789  -0.560
  517   HH21  ARG 145          HH21      ARG 145  12.808 -11.851  -3.820
  518   HH22  ARG 145          HH22      ARG 145  13.439 -13.113  -2.815
  519    H    LYS 146           HN       LYS 146  11.378  -6.129   2.806
  520    HA   LYS 146           HA       LYS 146  11.445  -4.093   0.717
  521    HB2  LYS 146           HB2      LYS 146   9.440  -3.593   2.031
  522    HB3  LYS 146           HB1      LYS 146  10.400  -3.546   3.499
  523    HG2  LYS 146           HG2      LYS 146   9.941  -1.305   2.740
  524    HG3  LYS 146           HG1      LYS 146  11.666  -1.644   2.588
  525    HD2  LYS 146           HD2      LYS 146  10.302  -2.397   0.174
  526    HD3  LYS 146           HD1      LYS 146   9.906  -0.730   0.594
  527    HE2  LYS 146           HE2      LYS 146  11.888  -0.055  -0.141
  528    HE3  LYS 146           HE1      LYS 146  12.696  -1.122   1.005
  529    HZ1  LYS 146           HZ1      LYS 146  12.311  -2.932  -0.692
  530    HZ2  LYS 146           HZ2      LYS 146  13.454  -1.755  -1.104
  531    HZ3  LYS 146           HZ3      LYS 146  11.907  -1.706  -1.787
  532    H    ARG 147           HN       ARG 147  12.148  -3.685   4.167
  533    HA   ARG 147           HA       ARG 147  14.851  -4.300   4.167
  534    HB2  ARG 147           HB2      ARG 147  14.640  -2.254   2.481
  535    HB3  ARG 147           HB1      ARG 147  14.661  -1.329   3.974
  536    HG2  ARG 147           HG2      ARG 147  16.887  -1.513   3.028
  537    HG3  ARG 147           HG1      ARG 147  16.794  -2.342   4.583
  538    HD2  ARG 147           HD2      ARG 147  16.668  -4.479   3.508
  539    HD3  ARG 147           HD1      ARG 147  16.515  -3.726   1.921
  540    HE   ARG 147           HE       ARG 147  18.789  -3.418   1.877
  541   HH11  ARG 147          HH11      ARG 147  17.815  -4.288   5.114
  542   HH12  ARG 147          HH12      ARG 147  19.437  -4.513   5.675
  543   HH21  ARG 147          HH21      ARG 147  20.923  -3.715   2.615
  544   HH22  ARG 147          HH22      ARG 147  21.201  -4.188   4.257
  545    H    LEU 148           HN       LEU 148  12.665  -4.471   5.916
  546    HA   LEU 148           HA       LEU 148  13.515  -2.698   8.112
  547    HB2  LEU 148           HB2      LEU 148  10.823  -4.004   7.708
  548    HB3  LEU 148           HB1      LEU 148  11.270  -2.978   9.058
  549    HG   LEU 148           HG       LEU 148   9.961  -1.657   7.577
  550   HD11  LEU 148          HD11      LEU 148  11.297   0.167   7.487
  551   HD12  LEU 148          HD12      LEU 148  12.616  -0.699   6.699
  552   HD13  LEU 148          HD13      LEU 148  12.364  -0.868   8.436
  553   HD21  LEU 148          HD21      LEU 148  11.802  -1.995   5.272
  554   HD22  LEU 148          HD22      LEU 148  10.074  -1.644   5.301
  555   HD23  LEU 148          HD23      LEU 148  10.646  -3.284   5.606
  556    H    LEU 149           HN       LEU 149  12.150  -5.919   7.446
  557    HA   LEU 149           HA       LEU 149  12.638  -7.026   9.966
  558    HB2  LEU 149           HB2      LEU 149  12.651  -8.475   7.320
  559    HB3  LEU 149           HB1      LEU 149  12.373  -9.187   8.898
  560    HG   LEU 149           HG       LEU 149  10.406  -7.299   8.818
  561   HD11  LEU 149          HD11      LEU 149   9.995  -8.446   6.158
  562   HD12  LEU 149          HD12      LEU 149  11.296  -7.258   6.244
  563   HD13  LEU 149          HD13      LEU 149   9.667  -6.821   6.760
  564   HD21  LEU 149          HD21      LEU 149   9.009  -9.080   8.937
  565   HD22  LEU 149          HD22      LEU 149  10.531  -9.942   9.165
  566   HD23  LEU 149          HD23      LEU 149   9.767  -9.907   7.575
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   2.547   8.780   6.472
    2    H2   GLY   1           HT2      GLY   1   3.975   8.985   7.355
    3    H3   GLY   1           HT3      GLY   1   2.803  10.204   7.349
    4    HA2  GLY   1           HA1      GLY   1   2.411   9.228   9.376
    5    HA3  GLY   1           HA2      GLY   1   1.253   8.422   8.328
    6    H    SER   2           HN       SER   2   3.482   6.925   7.003
    7    HA   SER   2           HA       SER   2   4.119   5.053   9.185
    8    HB2  SER   2           HB2      SER   2   3.168   4.372   6.394
    9    HB3  SER   2           HB1      SER   2   3.780   3.193   7.554
   10    HG   SER   2           HG       SER   2   1.637   3.156   7.878
   11    H    LYS   2           HN       LYS   2   5.697   3.280   8.037
   12    HA   LYS   2           HA       LYS   2   8.079   4.787   7.462
   13    HB2  LYS   2           HB2      LYS   2   9.023   2.367   7.191
   14    HB3  LYS   2           HB1      LYS   2   8.590   2.964   8.785
   15    HG2  LYS   2           HG2      LYS   2   7.864   0.627   8.285
   16    HG3  LYS   2           HG1      LYS   2   6.576   1.715   8.802
   17    HD2  LYS   2           HD2      LYS   2   5.960   2.049   6.428
   18    HD3  LYS   2           HD1      LYS   2   7.193   0.873   5.970
   19    HE2  LYS   2           HE2      LYS   2   4.894   0.281   7.827
   20    HE3  LYS   2           HE1      LYS   2   4.871  -0.045   6.095
   21    HZ1  LYS   2           HZ1      LYS   2   5.657  -2.030   6.736
   22    HZ2  LYS   2           HZ2      LYS   2   6.228  -1.463   8.223
   23    HZ3  LYS   2           HZ3      LYS   2   7.149  -1.236   6.823
   24    H    LEU   2           HN       LEU   2   6.736   5.588   5.466
   25    HA   LEU   2           HA       LEU   2   6.962   3.796   3.184
   26    HB2  LEU   2           HB2      LEU   2   5.084   5.608   3.814
   27    HB3  LEU   2           HB1      LEU   2   6.127   6.617   2.830
   28    HG   LEU   2           HG       LEU   2   5.938   4.790   1.045
   29   HD11  LEU   2          HD11      LEU   2   4.646   3.428   3.061
   30   HD12  LEU   2          HD12      LEU   2   4.624   3.017   1.346
   31   HD13  LEU   2          HD13      LEU   2   3.326   3.990   2.036
   32   HD21  LEU   2          HD21      LEU   2   3.253   5.957   1.482
   33   HD22  LEU   2          HD22      LEU   2   4.283   5.981   0.050
   34   HD23  LEU   2          HD23      LEU   2   4.612   7.078   1.392
   35    H    GLU   3           HN       GLU   3   8.443   3.952   1.595
   36    HA   GLU   3           HA       GLU   3   9.894   6.223   0.878
   37    HB2  GLU   3           HB2      GLU   3  11.011   6.159   2.972
   38    HB3  GLU   3           HB1      GLU   3  11.261   4.426   2.864
   39    HG2  GLU   3           HG2      GLU   3  13.300   5.789   2.477
   40    HG3  GLU   3           HG1      GLU   3  12.900   4.690   1.158
   41    H    GLY   4           HN       GLY   4   9.318   5.315  -1.138
   42    HA2  GLY   4           HA2      GLY   4  10.146   4.336  -3.092
   43    HA3  GLY   4           HA1      GLY   4  11.296   3.431  -2.119
   44    H    LYS   5           HN       LYS   5  10.922   1.335  -1.811
   45    HA   LYS   5           HA       LYS   5   9.856  -0.668  -1.644
   46    HB2  LYS   5           HB2      LYS   5   7.896   1.164  -0.817
   47    HB3  LYS   5           HB1      LYS   5   7.096   0.100  -1.960
   48    HG2  LYS   5           HG2      LYS   5   6.951  -0.630   0.411
   49    HG3  LYS   5           HG1      LYS   5   7.648  -1.829  -0.678
   50    HD2  LYS   5           HD2      LYS   5   8.851  -1.622   1.489
   51    HD3  LYS   5           HD1      LYS   5   9.869  -1.309   0.083
   52    HE2  LYS   5           HE2      LYS   5   8.624   1.122   1.000
   53    HE3  LYS   5           HE1      LYS   5   9.489   0.336   2.319
   54    HZ1  LYS   5           HZ1      LYS   5  11.131   0.220   0.077
   55    HZ2  LYS   5           HZ2      LYS   5  11.356   1.143   1.477
   56    HZ3  LYS   5           HZ3      LYS   5  10.535   1.802   0.154
   57    H    THR   6           HN       THR   6  10.883  -0.238  -3.976
   58    HA   THR   6           HA       THR   6  10.857  -0.942  -6.128
   59    HB   THR   6           HB       THR   6   9.549  -2.726  -6.679
   60    HG1  THR   6           HG1      THR   6   7.270  -1.887  -5.279
   61   HG21  THR   6          HG21      THR   6  10.127  -2.743  -4.053
   62   HG22  THR   6          HG22      THR   6   9.346  -4.076  -4.905
   63   HG23  THR   6          HG23      THR   6   8.373  -2.916  -3.998
   64    H    CYS   7           HN       CYS   7   7.483   0.013  -5.454
   65    HA   CYS   7           HA       CYS   7   6.140   1.591  -6.366
   66    HB2  CYS   7           HB2      CYS   7   8.428   2.947  -7.728
   67    HB3  CYS   7           HB1      CYS   7   7.029   3.649  -6.925
   68    H    GLY   8           HN       GLY   8   6.596  -0.817  -7.774
   69    HA2  GLY   8           HA2      GLY   8   5.956   0.118 -10.483
   70    HA3  GLY   8           HA1      GLY   8   7.209  -1.099 -10.289
   71    HA   PRO   9           HA       PRO   9   4.087  -4.213 -10.344
   72    HB2  PRO   9           HB2      PRO   9   5.467  -5.853  -8.381
   73    HB3  PRO   9           HB1      PRO   9   5.344  -6.084 -10.126
   74    HG2  PRO   9           HG2      PRO   9   7.669  -5.429  -8.884
   75    HG3  PRO   9           HG1      PRO   9   7.291  -4.949 -10.548
   76    HD2  PRO   9           HD2      PRO   9   7.090  -3.344  -8.020
   77    HD3  PRO   9           HD1      PRO   9   7.711  -2.862  -9.614
   78    H    SER  10           HN       SER  10   2.183  -3.739  -9.409
   79    HA   SER  10           HA       SER  10   0.553  -3.482  -7.846
   80    HB2  SER  10           HB2      SER  10   0.429  -5.096  -6.137
   81    HB3  SER  10           HB1      SER  10   1.393  -5.882  -7.387
   82    HG   SER  10           HG       SER  10   2.813  -6.126  -5.865
   83    H    SER  11           HN       SER  11   2.043  -1.327  -7.925
   84    HA   SER  11           HA       SER  11   2.371  -0.567  -5.110
   85    HB2  SER  11           HB2      SER  11   4.336   0.726  -5.616
   86    HB3  SER  11           HB1      SER  11   4.585  -0.900  -6.254
   87    HG   SER  11           HG       SER  11   3.750   0.037  -8.296
   88    H    PHE  12           HN       PHE  12   2.107   1.707  -4.680
   89    HA   PHE  12           HA       PHE  12   0.649   3.190  -6.752
   90    HB2  PHE  12           HB2      PHE  12  -1.113   2.310  -5.416
   91    HB3  PHE  12           HB1      PHE  12  -0.255   2.669  -3.922
   92    HD1  PHE  12           HD1      PHE  12  -1.622   4.420  -6.918
   93    HD2  PHE  12           HD2      PHE  12  -0.873   4.532  -2.730
   94    HE1  PHE  12           HE1      PHE  12  -2.781   6.586  -6.772
   95    HE2  PHE  12           HE2      PHE  12  -2.033   6.696  -2.576
   96    HZ   PHE  12           HZ       PHE  12  -2.988   7.726  -4.599
   97    H    SER  13           HN       SER  13   1.741   5.013  -7.102
   98    HA   SER  13           HA       SER  13   3.645   6.064  -5.283
   99    HB2  SER  13           HB2      SER  13   3.789   6.381  -7.738
  100    HB3  SER  13           HB1      SER  13   2.373   7.425  -7.665
  101    HG   SER  13           HG       SER  13   3.691   8.680  -6.096
  102    H    CYS  14           HN       CYS  14   3.281   7.222  -3.513
  103    HA   CYS  14           HA       CYS  14   0.776   8.010  -2.630
  104    HB2  CYS  14           HB2      CYS  14   2.931   7.752  -1.285
  105    HB3  CYS  14           HB1      CYS  14   3.302   9.394  -1.777
  106    HA   PRO  15           HA       PRO  15  -0.004  11.596  -5.166
  107    HB2  PRO  15           HB2      PRO  15  -2.097  12.153  -3.160
  108    HB3  PRO  15           HB1      PRO  15  -2.249  11.900  -4.899
  109    HG2  PRO  15           HG2      PRO  15  -3.071  10.050  -3.157
  110    HG3  PRO  15           HG1      PRO  15  -2.312   9.598  -4.695
  111    HD2  PRO  15           HD2      PRO  15  -1.120   9.670  -1.946
  112    HD3  PRO  15           HD1      PRO  15  -0.927   8.454  -3.226
  113    H    GLY  16           HN       GLY  16   1.007  13.493  -5.085
  114    HA2  GLY  16           HA2      GLY  16   1.520  15.605  -4.216
  115    HA3  GLY  16           HA1      GLY  16   0.952  15.074  -2.641
  116    H    THR  17           HN       THR  17   2.522  12.709  -2.447
  117    HA   THR  17           HA       THR  17   5.146  13.938  -1.998
  118    HB   THR  17           HB       THR  17   5.497  11.990  -0.441
  119    HG1  THR  17           HG1      THR  17   3.683  10.812   0.142
  120   HG21  THR  17          HG21      THR  17   3.575  14.165  -0.034
  121   HG22  THR  17          HG22      THR  17   4.974  13.681   0.925
  122   HG23  THR  17          HG23      THR  17   3.446  12.816   1.095
  123    H    HIS  18           HN       HIS  18   6.937  13.201  -2.948
  124    HA   HIS  18           HA       HIS  18   6.869  11.690  -5.267
  125    HB2  HIS  18           HB2      HIS  18   9.366  11.474  -4.926
  126    HB3  HIS  18           HB1      HIS  18   8.736  13.118  -4.872
  127    HD1  HIS  18           HD1      HIS  18  10.522  10.598  -2.817
  128    HD2  HIS  18           HD2      HIS  18   8.662  14.274  -2.284
  129    HE1  HIS  18           HE1      HIS  18  11.260  11.447  -0.552
  130    H    VAL  19           HN       VAL  19   6.938  10.637  -1.984
  131    HA   VAL  19           HA       VAL  19   8.133   8.142  -2.194
  132    HB   VAL  19           HB       VAL  19   7.510   9.139  -0.051
  133   HG11  VAL  19          HG11      VAL  19   4.692   8.281  -0.267
  134   HG12  VAL  19          HG12      VAL  19   5.145   9.750  -1.132
  135   HG13  VAL  19          HG13      VAL  19   5.405   9.636   0.609
  136   HG21  VAL  19          HG21      VAL  19   6.774   7.126   1.060
  137   HG22  VAL  19          HG22      VAL  19   7.883   6.701  -0.244
  138   HG23  VAL  19          HG23      VAL  19   6.146   6.480  -0.456
  139    H    CYS  20           HN       CYS  20   7.247   6.038  -2.328
  140    HA   CYS  20           HA       CYS  20   4.687   5.846  -3.759
  141    HB2  CYS  20           HB2      CYS  20   6.075   3.714  -4.752
  142    HB3  CYS  20           HB1      CYS  20   5.904   5.260  -5.571
  143    H    VAL  21           HN       VAL  21   3.296   4.424  -2.913
  144    HA   VAL  21           HA       VAL  21   4.332   2.597  -0.852
  145    HB   VAL  21           HB       VAL  21   2.902   4.271   0.107
  146   HG11  VAL  21          HG11      VAL  21   1.659   4.913  -1.878
  147   HG12  VAL  21          HG12      VAL  21   0.558   4.524  -0.555
  148   HG13  VAL  21          HG13      VAL  21   0.810   3.367  -1.863
  149   HG21  VAL  21          HG21      VAL  21   1.344   2.888   1.259
  150   HG22  VAL  21          HG22      VAL  21   2.775   1.914   0.917
  151   HG23  VAL  21          HG23      VAL  21   1.324   1.721  -0.063
  152    HA   PRO  22           HA       PRO  22   3.192  -0.807  -3.503
  153    HB2  PRO  22           HB2      PRO  22   3.037  -2.251  -0.917
  154    HB3  PRO  22           HB1      PRO  22   3.958  -2.639  -2.374
  155    HG2  PRO  22           HG2      PRO  22   5.158  -1.654  -0.200
  156    HG3  PRO  22           HG1      PRO  22   5.679  -1.199  -1.830
  157    HD2  PRO  22           HD2      PRO  22   4.080   0.351   0.149
  158    HD3  PRO  22           HD1      PRO  22   5.291   0.916  -1.016
  159    H    GLU  23           HN       GLU  23   1.445  -2.329  -3.780
  160    HA   GLU  23           HA       GLU  23  -1.087  -1.222  -3.188
  161    HB2  GLU  23           HB2      GLU  23  -0.111  -3.061  -5.001
  162    HB3  GLU  23           HB1      GLU  23  -1.140  -4.036  -3.964
  163    HG2  GLU  23           HG2      GLU  23  -3.044  -2.792  -4.491
  164    HG3  GLU  23           HG1      GLU  23  -2.097  -1.459  -5.151
  165    H    ARG  24           HN       ARG  24   0.678  -3.989  -1.808
  166    HA   ARG  24           HA       ARG  24  -1.409  -4.982  -0.229
  167    HB2  ARG  24           HB2      ARG  24   0.658  -6.232  -0.572
  168    HB3  ARG  24           HB1      ARG  24   1.558  -5.029   0.336
  169    HG2  ARG  24           HG2      ARG  24  -0.735  -6.406   1.634
  170    HG3  ARG  24           HG1      ARG  24   0.790  -7.263   1.447
  171    HD2  ARG  24           HD2      ARG  24   1.742  -6.111   3.095
  172    HD3  ARG  24           HD1      ARG  24   1.170  -4.578   2.449
  173    HE   ARG  24           HE       ARG  24  -0.672  -4.686   3.843
  174   HH11  ARG  24          HH11      ARG  24   1.156  -7.656   4.032
  175   HH12  ARG  24          HH12      ARG  24   0.329  -8.219   5.444
  176   HH21  ARG  24          HH21      ARG  24  -1.759  -5.428   5.699
  177   HH22  ARG  24          HH22      ARG  24  -1.326  -6.956   6.390
  178    H    TRP  25           HN       TRP  25   0.429  -2.117   0.062
  179    HA   TRP  25           HA       TRP  25  -0.086  -1.796   2.893
  180    HB2  TRP  25           HB2      TRP  25   1.132   0.107   0.881
  181    HB3  TRP  25           HB1      TRP  25   1.103   0.350   2.623
  182    HD1  TRP  25           HD1      TRP  25   1.884  -3.161   1.444
  183    HE1  TRP  25           HE1      TRP  25   4.367  -3.671   1.847
  184    HE3  TRP  25           HE3      TRP  25   3.484   1.535   2.686
  185    HZ2  TRP  25           HZ2      TRP  25   6.699  -2.279   2.574
  186    HZ3  TRP  25           HZ3      TRP  25   5.865   1.858   3.219
  187    HH2  TRP  25           HH2      TRP  25   7.438  -0.010   3.166
  188    H    LEU  26           HN       LEU  26  -1.458  -0.857  -0.156
  189    HA   LEU  26           HA       LEU  26  -2.879   1.395   0.304
  190    HB2  LEU  26           HB2      LEU  26  -3.207  -0.940  -1.371
  191    HB3  LEU  26           HB1      LEU  26  -4.748  -0.258  -0.930
  192    HG   LEU  26           HG       LEU  26  -4.352   1.720  -2.087
  193   HD11  LEU  26          HD11      LEU  26  -1.880   1.967  -3.069
  194   HD12  LEU  26          HD12      LEU  26  -1.511   1.112  -1.572
  195   HD13  LEU  26          HD13      LEU  26  -2.373   2.651  -1.521
  196   HD21  LEU  26          HD21      LEU  26  -4.723   0.122  -3.734
  197   HD22  LEU  26          HD22      LEU  26  -3.132  -0.609  -3.515
  198   HD23  LEU  26          HD23      LEU  26  -3.280   0.970  -4.289
  199    H    CYS  27           HN       CYS  27  -4.462  -1.762   0.753
  200    HA   CYS  27           HA       CYS  27  -6.124  -0.538   2.844
  201    HB2  CYS  27           HB2      CYS  27  -6.739  -3.213   1.652
  202    HB3  CYS  27           HB1      CYS  27  -7.839  -1.998   2.285
  203    H    ASP  28           HN       ASP  28  -3.624  -1.154   3.722
  204    HA   ASP  28           HA       ASP  28  -3.515  -3.809   4.805
  205    HB2  ASP  28           HB2      ASP  28  -1.362  -3.331   5.307
  206    HB3  ASP  28           HB1      ASP  28  -1.616  -1.940   4.261
  207    H    GLY  29           HN       GLY  29  -5.095  -0.953   5.711
  208    HA2  GLY  29           HA2      GLY  29  -6.735  -1.209   7.514
  209    HA3  GLY  29           HA1      GLY  29  -5.483  -2.028   8.432
  210    H    ASP  30           HN       ASP  30  -3.875   0.373   6.942
  211    HA   ASP  30           HA       ASP  30  -4.617   2.497   8.798
  212    HB2  ASP  30           HB2      ASP  30  -1.755   1.548   8.619
  213    HB3  ASP  30           HB1      ASP  30  -2.423   2.747   9.722
  214    H    LYS  31           HN       LYS  31  -3.208   4.499   8.350
  215    HA   LYS  31           HA       LYS  31  -3.056   4.787   5.446
  216    HB2  LYS  31           HB2      LYS  31  -3.158   6.877   7.619
  217    HB3  LYS  31           HB1      LYS  31  -3.055   7.228   5.903
  218    HG2  LYS  31           HG2      LYS  31  -5.204   6.326   5.495
  219    HG3  LYS  31           HG1      LYS  31  -5.292   5.635   7.118
  220    HD2  LYS  31           HD2      LYS  31  -5.829   7.620   8.078
  221    HD3  LYS  31           HD1      LYS  31  -4.856   8.554   6.940
  222    HE2  LYS  31           HE2      LYS  31  -6.604   8.934   5.610
  223    HE3  LYS  31           HE1      LYS  31  -7.100   7.243   5.650
  224    HZ1  LYS  31           HZ1      LYS  31  -8.853   8.119   6.735
  225    HZ2  LYS  31           HZ2      LYS  31  -8.007   9.482   7.270
  226    HZ3  LYS  31           HZ3      LYS  31  -7.832   8.007   8.079
  227    H    ASP  32           HN       ASP  32  -1.134   4.497   4.561
  228    HA   ASP  32           HA       ASP  32   1.287   4.967   6.108
  229    HB2  ASP  32           HB2      ASP  32   0.617   3.541   3.593
  230    HB3  ASP  32           HB1      ASP  32   2.228   4.243   3.691
  231    H    CYS  33           HN       CYS  33  -0.497   6.336   3.444
  232    HA   CYS  33           HA       CYS  33   1.529   8.121   2.552
  233    HB2  CYS  33           HB2      CYS  33  -1.322   7.632   1.999
  234    HB3  CYS  33           HB1      CYS  33  -0.808   9.298   1.770
  235    H    ALA  34           HN       ALA  34   0.520  10.584   2.431
  236    HA   ALA  34           HA       ALA  34   0.814  11.524   5.139
  237    HB1  ALA  34           HB1      ALA  34   1.878  12.616   3.161
  238    HB2  ALA  34           HB2      ALA  34   0.948  13.709   4.186
  239    HB3  ALA  34           HB3      ALA  34   0.272  13.142   2.659
  240    H    ASP  35           HN       ASP  35  -1.738  11.218   2.761
  241    HA   ASP  35           HA       ASP  35  -3.665  12.133   4.794
  242    HB2  ASP  35           HB2      ASP  35  -3.520  12.805   1.870
  243    HB3  ASP  35           HB1      ASP  35  -5.066  12.827   2.714
  244    H    GLY  36           HN       GLY  36  -2.825   9.449   4.385
  245    HA2  GLY  36           HA2      GLY  36  -3.702   7.343   4.109
  246    HA3  GLY  36           HA1      GLY  36  -5.266   8.109   4.326
  247    H    ALA  37           HN       ALA  37  -3.233   9.085   1.693
  248    HA   ALA  37           HA       ALA  37  -5.173   8.572  -0.272
  249    HB1  ALA  37           HB1      ALA  37  -2.332   9.382  -0.251
  250    HB2  ALA  37           HB2      ALA  37  -3.719  10.120  -1.055
  251    HB3  ALA  37           HB3      ALA  37  -2.950   8.694  -1.752
  252    H    ASP  38           HN       ASP  38  -2.581   6.653   1.027
  253    HA   ASP  38           HA       ASP  38  -2.432   4.662  -0.960
  254    HB2  ASP  38           HB2      ASP  38  -0.724   5.023   0.792
  255    HB3  ASP  38           HB1      ASP  38  -1.866   4.484   2.003
  256    H    GLU  39           HN       GLU  39  -4.583   5.236   1.711
  257    HA   GLU  39           HA       GLU  39  -5.851   2.625   1.443
  258    HB2  GLU  39           HB2      GLU  39  -6.579   4.902   3.290
  259    HB3  GLU  39           HB1      GLU  39  -7.150   3.247   3.392
  260    HG2  GLU  39           HG2      GLU  39  -5.247   4.133   4.954
  261    HG3  GLU  39           HG1      GLU  39  -5.223   2.488   4.330
  262    H    SER  40           HN       SER  40  -6.305   5.948   0.600
  263    HA   SER  40           HA       SER  40  -9.074   5.945   0.102
  264    HB2  SER  40           HB2      SER  40  -6.845   7.613  -1.078
  265    HB3  SER  40           HB1      SER  40  -8.558   7.921  -1.361
  266    HG   SER  40           HG       SER  40  -8.533   8.963   0.450
  267    H    ILE  41           HN       ILE  41 -10.129   6.063  -1.983
  268    HA   ILE  41           HA       ILE  41  -9.645   3.811  -3.562
  269    HB   ILE  41           HB       ILE  41 -11.818   5.061  -3.331
  270   HG12  ILE  41          HG12      ILE  41 -12.329   4.740  -5.877
  271   HG13  ILE  41          HG11      ILE  41 -10.690   4.104  -5.927
  272   HG21  ILE  41          HG21      ILE  41 -10.743   6.800  -5.533
  273   HG22  ILE  41          HG22      ILE  41 -10.789   7.295  -3.840
  274   HG23  ILE  41          HG23      ILE  41 -12.290   6.938  -4.696
  275   HD11  ILE  41          HD11      ILE  41 -12.746   2.532  -5.546
  276   HD12  ILE  41          HD12      ILE  41 -12.560   3.057  -3.872
  277   HD13  ILE  41          HD13      ILE  41 -11.224   2.257  -4.700
  278    H    ALA  42           HN       ALA  42  -8.404   7.042  -3.738
  279    HA   ALA  42           HA       ALA  42  -7.668   7.364  -6.356
  280    HB1  ALA  42           HB1      ALA  42  -7.145   8.687  -4.048
  281    HB2  ALA  42           HB2      ALA  42  -6.404   9.066  -5.603
  282    HB3  ALA  42           HB3      ALA  42  -5.548   8.051  -4.442
  283    H    ALA  43           HN       ALA  43  -6.381   5.159  -4.007
  284    HA   ALA  43           HA       ALA  43  -4.137   4.408  -5.711
  285    HB1  ALA  43           HB1      ALA  43  -3.381   3.087  -3.854
  286    HB2  ALA  43           HB2      ALA  43  -4.924   3.295  -3.024
  287    HB3  ALA  43           HB3      ALA  43  -3.853   4.677  -3.252
  288    H    GLY  44           HN       GLY  44  -7.282   3.292  -4.727
  289    HA2  GLY  44           HA2      GLY  44  -8.466   1.775  -6.202
  290    HA3  GLY  44           HA1      GLY  44  -6.940   0.949  -6.486
  291    H    CYS  45           HN       CYS  45  -8.292   2.015  -3.403
  292    HA   CYS  45           HA       CYS  45  -7.864  -0.605  -2.285
  293    HB2  CYS  45           HB2      CYS  45  -8.128   2.061  -1.287
  294    HB3  CYS  45           HB1      CYS  45  -9.321   1.047  -0.480
  295    H    LEU  46           HN       LEU  46 -10.300   0.619  -4.124
  296    HA   LEU  46           HA       LEU  46 -12.383  -0.134  -4.635
  297    HB2  LEU  46           HB2      LEU  46 -12.029  -2.229  -2.501
  298    HB3  LEU  46           HB1      LEU  46 -13.151  -2.260  -3.844
  299    HG   LEU  46           HG       LEU  46 -11.627  -3.631  -4.763
  300   HD11  LEU  46          HD11      LEU  46  -9.865  -1.261  -5.228
  301   HD12  LEU  46          HD12      LEU  46 -11.462  -1.359  -5.968
  302   HD13  LEU  46          HD13      LEU  46 -10.253  -2.596  -6.313
  303   HD21  LEU  46          HD21      LEU  46  -9.084  -2.669  -3.786
  304   HD22  LEU  46          HD22      LEU  46  -9.823  -4.263  -3.640
  305   HD23  LEU  46          HD23      LEU  46 -10.203  -3.007  -2.465
  306    H    TYR  47           HN       TYR  47 -11.833   1.813  -2.497
  307    HA   TYR  47           HA       TYR  47 -14.459   2.262  -1.640
  308    HB2  TYR  47           HB2      TYR  47 -14.215   1.844   0.787
  309    HB3  TYR  47           HB1      TYR  47 -14.130   0.364  -0.159
  310    HD1  TYR  47           HD1      TYR  47 -11.985   2.912   1.503
  311    HD2  TYR  47           HD2      TYR  47 -12.323  -1.087   0.095
  312    HE1  TYR  47           HE1      TYR  47  -9.832   2.366   2.557
  313    HE2  TYR  47           HE2      TYR  47 -10.170  -1.647   1.142
  314    HH   TYR  47           HH       TYR  47  -8.815  -0.230   3.422
  315    H    ASN  48           HN       ASN  48 -14.283   3.772   0.511
  316    HA   ASN  48           HA       ASN  48 -12.935   5.452   1.605
  317    HB2  ASN  48           HB2      ASN  48 -11.003   5.150   0.056
  318    HB3  ASN  48           HB1      ASN  48 -11.882   6.078  -1.157
  319   HD21  ASN  48          HD21      ASN  48 -10.345   6.200   1.980
  320   HD22  ASN  48          HD22      ASN  48 -10.125   7.914   2.019
  321    H    SER  49           HN       SER  49 -13.950   7.298   2.072
  322    HA   SER  49           HA       SER  49 -15.090   9.106   0.293
  323    HB2  SER  49           HB2      SER  49 -16.795   6.788   0.938
  324    HB3  SER  49           HB1      SER  49 -17.569   8.357   1.160
  325    HG   SER  49           HG       SER  49 -16.377   7.322  -1.193
  326    H    THR  50           HN       THR  50 -15.332   7.546   3.434
  327    HA   THR  50           HA       THR  50 -16.049  10.115   4.662
  328    HB   THR  50           HB       THR  50 -16.908   8.936   6.497
  329    HG1  THR  50           HG1      THR  50 -15.529   6.633   5.580
  330   HG21  THR  50          HG21      THR  50 -18.505   7.475   5.683
  331   HG22  THR  50          HG22      THR  50 -17.441   6.860   4.417
  332   HG23  THR  50          HG23      THR  50 -18.127   8.479   4.283
  333    H    GLY  51           HN       GLY  51 -13.782   7.398   4.994
  334    HA2  GLY  51           HA2      GLY  51 -11.421   8.494   5.262
  335    HA3  GLY  51           HA1      GLY  51 -12.123   9.021   6.783
  336    H    SER  52           HN       SER  52 -13.676   6.407   6.855
  337    HA   SER  52           HA       SER  52 -11.830   4.987   8.469
  338    HB2  SER  52           HB2      SER  52 -13.751   3.159   8.145
  339    HB3  SER  52           HB1      SER  52 -13.965   4.564   9.189
  340    HG   SER  52           HG       SER  52 -15.287   5.456   7.754
  341    H    GLY  53           HN       GLY  53 -13.623   3.461   5.814
  342    HA2  GLY  53           HA2      GLY  53 -12.419   2.663   3.823
  343    HA3  GLY  53           HA1      GLY  53 -11.066   2.306   4.884
  344    H    SER  54           HN       SER  54 -11.127   0.155   4.004
  345    HA   SER  54           HA       SER  54 -11.665  -2.057   4.021
  346    HB2  SER  54           HB2      SER  54 -12.161  -2.988   6.108
  347    HB3  SER  54           HB1      SER  54 -11.395  -1.458   6.534
  348    HG   SER  54           HG       SER  54 -13.942  -2.317   6.990
  349    H    GLY  55           HN       GLY  55 -13.503  -0.251   2.709
  350    HA2  GLY  55           HA2      GLY  55 -16.131  -1.432   3.235
  351    HA3  GLY  55           HA1      GLY  55 -15.805  -0.050   2.200
  352    H    SER  56           HN       SER  56 -13.929  -2.982   1.986
  353    HA   SER  56           HA       SER  56 -15.194  -3.535  -0.616
  354    HB2  SER  56           HB2      SER  56 -12.858  -2.784  -0.814
  355    HB3  SER  56           HB1      SER  56 -12.347  -4.092   0.250
  356    HG   SER  56           HG       SER  56 -12.695  -5.528  -1.310
  357    H    GLY  57           HN       GLY  57 -13.071  -5.357   1.594
  358    HA2  GLY  57           HA2      GLY  57 -14.059  -7.183   2.923
  359    HA3  GLY  57           HA1      GLY  57 -15.065  -7.537   1.527
  360    H    SER 129           HN       SER 129 -14.454  -9.320   0.519
  361    HA   SER 129           HA       SER 129 -12.052 -10.668   0.943
  362    HB2  SER 129           HB2      SER 129 -13.706 -10.917  -1.572
  363    HB3  SER 129           HB1      SER 129 -12.724 -12.157  -0.792
  364    HG   SER 129           HG       SER 129 -15.217 -11.924  -0.466
  365    H    THR 130           HN       THR 130 -12.988  -8.441  -1.644
  366    HA   THR 130           HA       THR 130 -10.736  -8.730  -3.267
  367    HB   THR 130           HB       THR 130 -11.848  -6.001  -3.049
  368    HG1  THR 130           HG1      THR 130 -13.833  -6.684  -3.973
  369   HG21  THR 130          HG21      THR 130 -10.881  -6.097  -5.061
  370   HG22  THR 130          HG22      THR 130 -12.391  -6.867  -5.547
  371   HG23  THR 130          HG23      THR 130 -10.986  -7.855  -5.146
  372    H    GLU 131           HN       GLU 131 -11.235  -6.847  -0.351
  373    HA   GLU 131           HA       GLU 131  -8.986  -5.186  -0.517
  374    HB2  GLU 131           HB2      GLU 131 -10.970  -5.169   1.164
  375    HB3  GLU 131           HB1      GLU 131  -9.976  -6.276   2.101
  376    HG2  GLU 131           HG2      GLU 131  -8.154  -4.555   2.012
  377    HG3  GLU 131           HG1      GLU 131  -9.336  -3.449   1.314
  378    H    GLU 132           HN       GLU 132  -9.373  -8.358   1.051
  379    HA   GLU 132           HA       GLU 132  -6.610  -8.518   1.784
  380    HB2  GLU 132           HB2      GLU 132  -8.367 -10.934   1.609
  381    HB3  GLU 132           HB1      GLU 132  -7.127 -10.544   2.792
  382    HG2  GLU 132           HG2      GLU 132  -8.994  -8.557   3.163
  383    HG3  GLU 132           HG1      GLU 132  -9.975  -9.980   2.815
  384    H    LEU 133           HN       LEU 133  -8.448  -9.343  -1.017
  385    HA   LEU 133           HA       LEU 133  -6.814 -11.360  -2.093
  386    HB2  LEU 133           HB2      LEU 133  -9.006  -9.678  -2.981
  387    HB3  LEU 133           HB1      LEU 133  -7.848  -9.963  -4.266
  388    HG   LEU 133           HG       LEU 133  -8.160 -12.325  -4.146
  389   HD11  LEU 133          HD11      LEU 133 -10.129 -12.938  -2.383
  390   HD12  LEU 133          HD12      LEU 133  -9.245 -11.698  -1.494
  391   HD13  LEU 133          HD13      LEU 133  -8.405 -13.137  -2.069
  392   HD21  LEU 133          HD21      LEU 133  -9.884 -11.797  -5.478
  393   HD22  LEU 133          HD22      LEU 133 -10.473 -10.543  -4.387
  394   HD23  LEU 133          HD23      LEU 133 -10.881 -12.233  -4.090
  395    H    ARG 134           HN       ARG 134  -7.041  -8.074  -3.431
  396    HA   ARG 134           HA       ARG 134  -4.628  -8.170  -4.817
  397    HB2  ARG 134           HB2      ARG 134  -4.890  -5.838  -5.188
  398    HB3  ARG 134           HB1      ARG 134  -6.510  -6.516  -5.125
  399    HG2  ARG 134           HG2      ARG 134  -6.400  -5.828  -2.611
  400    HG3  ARG 134           HG1      ARG 134  -5.119  -4.748  -3.166
  401    HD2  ARG 134           HD2      ARG 134  -8.020  -4.786  -3.918
  402    HD3  ARG 134           HD1      ARG 134  -7.057  -3.448  -3.295
  403    HE   ARG 134           HE       ARG 134  -7.273  -4.319  -6.042
  404   HH11  ARG 134          HH11      ARG 134  -5.425  -2.473  -3.726
  405   HH12  ARG 134          HH12      ARG 134  -4.675  -1.482  -4.931
  406   HH21  ARG 134          HH21      ARG 134  -6.287  -3.014  -7.624
  407   HH22  ARG 134          HH22      ARG 134  -5.163  -1.788  -7.142
  408    H    VAL 135           HN       VAL 135  -5.303  -7.294  -1.507
  409    HA   VAL 135           HA       VAL 135  -2.717  -6.156  -1.023
  410    HB   VAL 135           HB       VAL 135  -4.920  -6.969   0.871
  411   HG11  VAL 135          HG11      VAL 135  -3.717  -5.550   2.527
  412   HG12  VAL 135          HG12      VAL 135  -2.351  -5.500   1.416
  413   HG13  VAL 135          HG13      VAL 135  -2.868  -7.037   2.106
  414   HG21  VAL 135          HG21      VAL 135  -5.058  -4.991  -0.874
  415   HG22  VAL 135          HG22      VAL 135  -4.115  -4.156   0.360
  416   HG23  VAL 135          HG23      VAL 135  -5.697  -4.823   0.761
  417    H    ARG 136           HN       ARG 136  -3.808  -9.336  -1.295
  418    HA   ARG 136           HA       ARG 136  -2.055 -10.471   0.699
  419    HB2  ARG 136           HB2      ARG 136  -4.123 -11.452  -1.142
  420    HB3  ARG 136           HB1      ARG 136  -2.789 -12.569  -0.893
  421    HG2  ARG 136           HG2      ARG 136  -3.263 -12.860   1.332
  422    HG3  ARG 136           HG1      ARG 136  -4.085 -11.305   1.471
  423    HD2  ARG 136           HD2      ARG 136  -6.048 -12.281   1.118
  424    HD3  ARG 136           HD1      ARG 136  -5.480 -12.920  -0.424
  425    HE   ARG 136           HE       ARG 136  -5.176 -14.962   0.569
  426   HH11  ARG 136          HH11      ARG 136  -5.593 -12.544   3.050
  427   HH12  ARG 136          HH12      ARG 136  -5.703 -13.701   4.334
  428   HH21  ARG 136          HH21      ARG 136  -5.320 -16.485   2.256
  429   HH22  ARG 136          HH22      ARG 136  -5.547 -15.938   3.884
  430    H    LEU 137           HN       LEU 137  -2.201 -10.574  -2.861
  431    HA   LEU 137           HA       LEU 137   0.148 -11.983  -3.303
  432    HB2  LEU 137           HB2      LEU 137  -1.397 -11.634  -5.086
  433    HB3  LEU 137           HB1      LEU 137  -1.245  -9.893  -4.963
  434    HG   LEU 137           HG       LEU 137  -0.084 -11.095  -6.920
  435   HD11  LEU 137          HD11      LEU 137   1.196  -9.265  -7.161
  436   HD12  LEU 137          HD12      LEU 137   1.946  -9.450  -5.575
  437   HD13  LEU 137          HD13      LEU 137   0.347  -8.721  -5.714
  438   HD21  LEU 137          HD21      LEU 137   1.035 -12.614  -4.968
  439   HD22  LEU 137          HD22      LEU 137   2.303 -11.420  -5.245
  440   HD23  LEU 137          HD23      LEU 137   1.709 -12.403  -6.584
  441    H    ALA 138           HN       ALA 138  -0.300  -8.486  -2.912
  442    HA   ALA 138           HA       ALA 138   2.434  -7.868  -3.452
  443    HB1  ALA 138           HB1      ALA 138   1.178  -6.036  -3.886
  444    HB2  ALA 138           HB2      ALA 138   1.628  -5.659  -2.223
  445    HB3  ALA 138           HB3      ALA 138   0.047  -6.359  -2.572
  446    H    SER 139           HN       SER 139   1.049  -9.355  -0.815
  447    HA   SER 139           HA       SER 139   2.667  -8.093   1.221
  448    HB2  SER 139           HB2      SER 139   1.038  -8.915   2.518
  449    HB3  SER 139           HB1      SER 139   0.377  -9.820   1.160
  450    HG   SER 139           HG       SER 139   1.415 -11.581   1.802
  451    H    HIS 140           HN       HIS 140   3.316 -10.279  -1.178
  452    HA   HIS 140           HA       HIS 140   4.731 -12.325  -0.025
  453    HB2  HIS 140           HB2      HIS 140   6.073 -12.363  -2.156
  454    HB3  HIS 140           HB1      HIS 140   4.329 -12.425  -2.348
  455    HD1  HIS 140           HD1      HIS 140   4.445  -9.040  -1.867
  456    HD2  HIS 140           HD2      HIS 140   6.071 -11.443  -4.837
  457    HE1  HIS 140           HE1      HIS 140   4.786  -7.550  -3.874
  458    H    LEU 141           HN       LEU 141   6.140  -9.170  -1.016
  459    HA   LEU 141           HA       LEU 141   8.230  -9.634   0.986
  460    HB2  LEU 141           HB2      LEU 141   9.197 -10.330  -1.100
  461    HB3  LEU 141           HB1      LEU 141   8.681  -8.848  -1.883
  462    HG   LEU 141           HG       LEU 141  10.252  -8.020   0.285
  463   HD11  LEU 141          HD11      LEU 141  12.289  -9.215   0.134
  464   HD12  LEU 141          HD12      LEU 141  11.711 -10.163  -1.237
  465   HD13  LEU 141          HD13      LEU 141  11.012 -10.410   0.364
  466   HD21  LEU 141          HD21      LEU 141  10.729  -8.210  -2.677
  467   HD22  LEU 141          HD22      LEU 141  11.864  -7.427  -1.577
  468   HD23  LEU 141          HD23      LEU 141  10.220  -6.807  -1.737
  469    H    ARG 142           HN       ARG 142   6.772  -7.297  -1.239
  470    HA   ARG 142           HA       ARG 142   7.825  -4.936  -0.649
  471    HB2  ARG 142           HB2      ARG 142   5.008  -5.751  -1.116
  472    HB3  ARG 142           HB1      ARG 142   5.290  -4.101  -0.577
  473    HG2  ARG 142           HG2      ARG 142   5.182  -4.568  -3.099
  474    HG3  ARG 142           HG1      ARG 142   6.482  -3.542  -2.489
  475    HD2  ARG 142           HD2      ARG 142   8.039  -5.370  -2.580
  476    HD3  ARG 142           HD1      ARG 142   6.754  -6.499  -3.007
  477    HE   ARG 142           HE       ARG 142   7.035  -4.342  -4.876
  478   HH11  ARG 142          HH11      ARG 142   8.219  -7.498  -3.970
  479   HH12  ARG 142          HH12      ARG 142   8.786  -7.880  -5.560
  480   HH21  ARG 142          HH21      ARG 142   7.783  -4.844  -6.968
  481   HH22  ARG 142          HH22      ARG 142   8.539  -6.373  -7.262
  482    H    LYS 143           HN       LYS 143   5.245  -6.285   1.432
  483    HA   LYS 143           HA       LYS 143   5.744  -4.255   3.425
  484    HB2  LYS 143           HB2      LYS 143   3.468  -5.155   2.898
  485    HB3  LYS 143           HB1      LYS 143   3.956  -6.672   3.644
  486    HG2  LYS 143           HG2      LYS 143   2.722  -5.435   5.249
  487    HG3  LYS 143           HG1      LYS 143   4.414  -5.407   5.740
  488    HD2  LYS 143           HD2      LYS 143   4.063  -3.196   5.965
  489    HD3  LYS 143           HD1      LYS 143   4.285  -3.173   4.215
  490    HE2  LYS 143           HE2      LYS 143   2.288  -1.936   4.836
  491    HE3  LYS 143           HE1      LYS 143   1.860  -3.376   3.913
  492    HZ1  LYS 143           HZ1      LYS 143   1.924  -3.707   6.795
  493    HZ2  LYS 143           HZ2      LYS 143   0.811  -4.288   5.662
  494    HZ3  LYS 143           HZ3      LYS 143   0.702  -2.692   6.210
  495    H    LEU 144           HN       LEU 144   6.809  -7.471   2.796
  496    HA   LEU 144           HA       LEU 144   7.500  -8.147   5.484
  497    HB2  LEU 144           HB2      LEU 144   7.779  -9.336   2.824
  498    HB3  LEU 144           HB1      LEU 144   9.118  -9.699   3.896
  499    HG   LEU 144           HG       LEU 144   7.484 -10.557   5.569
  500   HD11  LEU 144          HD11      LEU 144   5.619  -9.207   4.092
  501   HD12  LEU 144          HD12      LEU 144   5.268 -10.439   5.304
  502   HD13  LEU 144          HD13      LEU 144   5.353 -10.879   3.598
  503   HD21  LEU 144          HD21      LEU 144   8.658 -11.894   3.664
  504   HD22  LEU 144          HD22      LEU 144   7.025 -12.029   3.012
  505   HD23  LEU 144          HD23      LEU 144   7.387 -12.654   4.621
  506    H    ARG 145           HN       ARG 145   9.464  -7.210   2.655
  507    HA   ARG 145           HA       ARG 145  11.589  -6.393   4.523
  508    HB2  ARG 145           HB2      ARG 145  11.626  -7.810   1.954
  509    HB3  ARG 145           HB1      ARG 145  12.812  -6.517   2.079
  510    HG2  ARG 145           HG2      ARG 145  12.507  -8.876   3.922
  511    HG3  ARG 145           HG1      ARG 145  13.810  -8.579   2.774
  512    HD2  ARG 145           HD2      ARG 145  14.921  -7.582   4.422
  513    HD3  ARG 145           HD1      ARG 145  13.723  -6.290   4.354
  514    HE   ARG 145           HE       ARG 145  12.695  -8.344   5.942
  515   HH11  ARG 145          HH11      ARG 145  15.286  -6.008   6.007
  516   HH12  ARG 145          HH12      ARG 145  15.319  -5.906   7.735
  517   HH21  ARG 145          HH21      ARG 145  12.735  -8.212   8.215
  518   HH22  ARG 145          HH22      ARG 145  13.870  -7.158   8.989
  519    H    LYS 146           HN       LYS 146  13.136  -4.806   3.044
  520    HA   LYS 146           HA       LYS 146  11.465  -2.756   1.807
  521    HB2  LYS 146           HB2      LYS 146  11.867  -2.389   4.365
  522    HB3  LYS 146           HB1      LYS 146  13.475  -1.894   3.854
  523    HG2  LYS 146           HG2      LYS 146  12.746   0.089   3.173
  524    HG3  LYS 146           HG1      LYS 146  11.415  -0.632   2.268
  525    HD2  LYS 146           HD2      LYS 146   9.965  -0.526   4.076
  526    HD3  LYS 146           HD1      LYS 146  11.280  -0.428   5.250
  527    HE2  LYS 146           HE2      LYS 146  11.694   1.815   3.753
  528    HE3  LYS 146           HE1      LYS 146   9.935   1.693   3.735
  529    HZ1  LYS 146           HZ1      LYS 146  11.738   2.241   5.954
  530    HZ2  LYS 146           HZ2      LYS 146  10.397   1.271   6.303
  531    HZ3  LYS 146           HZ3      LYS 146  10.175   2.820   5.659
  532    H    ARG 147           HN       ARG 147  12.948  -0.912   0.972
  533    HA   ARG 147           HA       ARG 147  14.713  -1.989  -0.897
  534    HB2  ARG 147           HB2      ARG 147  15.029   0.163  -1.659
  535    HB3  ARG 147           HB1      ARG 147  13.512   0.335  -0.793
  536    HG2  ARG 147           HG2      ARG 147  16.246   1.258   0.024
  537    HG3  ARG 147           HG1      ARG 147  14.778   2.208  -0.200
  538    HD2  ARG 147           HD2      ARG 147  13.925   0.575   1.724
  539    HD3  ARG 147           HD1      ARG 147  15.646   0.555   2.100
  540    HE   ARG 147           HE       ARG 147  14.799   3.213   1.743
  541   HH11  ARG 147          HH11      ARG 147  14.474   0.563   3.990
  542   HH12  ARG 147          HH12      ARG 147  14.219   1.591   5.359
  543   HH21  ARG 147          HH21      ARG 147  14.466   4.567   3.543
  544   HH22  ARG 147          HH22      ARG 147  14.214   3.865   5.106
  545    H    LEU 148           HN       LEU 148  16.996  -0.385  -0.859
  546    HA   LEU 148           HA       LEU 148  19.053  -0.070   0.119
  547    HB2  LEU 148           HB2      LEU 148  17.685  -0.019   2.325
  548    HB3  LEU 148           HB1      LEU 148  18.241  -1.670   2.521
  549    HG   LEU 148           HG       LEU 148  20.603  -0.778   2.294
  550   HD11  LEU 148          HD11      LEU 148  19.647   1.885   3.129
  551   HD12  LEU 148          HD12      LEU 148  19.466   1.489   1.420
  552   HD13  LEU 148          HD13      LEU 148  21.059   1.429   2.176
  553   HD21  LEU 148          HD21      LEU 148  19.490  -1.403   4.438
  554   HD22  LEU 148          HD22      LEU 148  19.035   0.290   4.634
  555   HD23  LEU 148          HD23      LEU 148  20.738  -0.167   4.601
  556    H    LEU 149           HN       LEU 149  17.616  -3.253   0.817
  557    HA   LEU 149           HA       LEU 149  19.830  -4.848   0.846
  558    HB2  LEU 149           HB2      LEU 149  17.239  -5.509  -0.553
  559    HB3  LEU 149           HB1      LEU 149  18.414  -6.662   0.051
  560    HG   LEU 149           HG       LEU 149  17.292  -4.773   2.038
  561   HD11  LEU 149          HD11      LEU 149  15.381  -5.510   0.519
  562   HD12  LEU 149          HD12      LEU 149  15.205  -5.812   2.247
  563   HD13  LEU 149          HD13      LEU 149  15.653  -7.129   1.163
  564   HD21  LEU 149          HD21      LEU 149  18.601  -6.262   3.124
  565   HD22  LEU 149          HD22      LEU 149  18.380  -7.516   1.903
  566   HD23  LEU 149          HD23      LEU 149  17.123  -7.224   3.106
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   1.446  11.382  10.485
    2    H2   GLY   1           HT2      GLY   1   1.146  12.237   9.056
    3    H3   GLY   1           HT3      GLY   1   2.520  11.259   9.184
    4    HA2  GLY   1           HA1      GLY   1   0.682   9.433   9.685
    5    HA3  GLY   1           HA2      GLY   1  -0.254  10.522   8.673
    6    H    SER   2           HN       SER   2   2.669   8.550   8.804
    7    HA   SER   2           HA       SER   2   2.342   7.540   6.209
    8    HB2  SER   2           HB2      SER   2   3.936   8.694   4.908
    9    HB3  SER   2           HB1      SER   2   3.043   9.969   5.738
   10    HG   SER   2           HG       SER   2   4.766   9.948   7.315
   11    H    LYS   2           HN       LYS   2   3.803   5.901   5.740
   12    HA   LYS   2           HA       LYS   2   6.019   5.479   7.609
   13    HB2  LYS   2           HB2      LYS   2   5.289   2.996   7.623
   14    HB3  LYS   2           HB1      LYS   2   4.451   4.128   8.675
   15    HG2  LYS   2           HG2      LYS   2   3.139   4.046   6.136
   16    HG3  LYS   2           HG1      LYS   2   3.350   2.404   6.746
   17    HD2  LYS   2           HD2      LYS   2   1.224   3.375   7.482
   18    HD3  LYS   2           HD1      LYS   2   2.288   3.033   8.848
   19    HE2  LYS   2           HE2      LYS   2   3.010   5.449   8.732
   20    HE3  LYS   2           HE1      LYS   2   1.694   5.702   7.587
   21    HZ1  LYS   2           HZ1      LYS   2   0.194   4.772   9.352
   22    HZ2  LYS   2           HZ2      LYS   2   0.872   6.282   9.700
   23    HZ3  LYS   2           HZ3      LYS   2   1.495   4.888  10.428
   24    H    LEU   2           HN       LEU   2   6.295   6.374   5.032
   25    HA   LEU   2           HA       LEU   2   7.093   4.013   3.478
   26    HB2  LEU   2           HB2      LEU   2   6.290   6.790   2.776
   27    HB3  LEU   2           HB1      LEU   2   7.443   5.990   1.726
   28    HG   LEU   2           HG       LEU   2   5.897   4.300   1.131
   29   HD11  LEU   2          HD11      LEU   2   5.023   4.032   3.488
   30   HD12  LEU   2          HD12      LEU   2   3.841   3.860   2.194
   31   HD13  LEU   2          HD13      LEU   2   3.913   5.354   3.128
   32   HD21  LEU   2          HD21      LEU   2   3.761   6.174   1.023
   33   HD22  LEU   2          HD22      LEU   2   4.871   5.689  -0.258
   34   HD23  LEU   2          HD23      LEU   2   5.276   7.046   0.793
   35    H    GLU   3           HN       GLU   3   9.188   3.668   2.876
   36    HA   GLU   3           HA       GLU   3  11.215   5.668   3.105
   37    HB2  GLU   3           HB2      GLU   3  12.532   4.251   4.818
   38    HB3  GLU   3           HB1      GLU   3  11.265   5.318   5.405
   39    HG2  GLU   3           HG2      GLU   3   9.725   3.381   5.459
   40    HG3  GLU   3           HG1      GLU   3  11.076   2.344   5.003
   41    H    GLY   4           HN       GLY   4  11.331   4.894   0.886
   42    HA2  GLY   4           HA2      GLY   4  12.800   3.867  -0.616
   43    HA3  GLY   4           HA1      GLY   4  13.292   2.761   0.657
   44    H    LYS   5           HN       LYS   5  12.791   0.739   0.257
   45    HA   LYS   5           HA       LYS   5  11.612  -1.121  -0.293
   46    HB2  LYS   5           HB2      LYS   5   9.683   0.007   0.745
   47    HB3  LYS   5           HB1      LYS   5   9.301   0.748  -0.795
   48    HG2  LYS   5           HG2      LYS   5   9.314  -1.791  -1.576
   49    HG3  LYS   5           HG1      LYS   5   8.902  -2.028   0.125
   50    HD2  LYS   5           HD2      LYS   5   6.886  -1.816  -1.207
   51    HD3  LYS   5           HD1      LYS   5   7.046  -0.435  -0.120
   52    HE2  LYS   5           HE2      LYS   5   8.237  -0.151  -2.804
   53    HE3  LYS   5           HE1      LYS   5   6.483  -0.201  -2.739
   54    HZ1  LYS   5           HZ1      LYS   5   8.274   1.894  -1.946
   55    HZ2  LYS   5           HZ2      LYS   5   7.141   1.524  -0.746
   56    HZ3  LYS   5           HZ3      LYS   5   6.620   1.963  -2.294
   57    H    THR   6           HN       THR   6   9.790   0.877  -2.584
   58    HA   THR   6           HA       THR   6  11.350   0.889  -4.807
   59    HB   THR   6           HB       THR   6  11.756  -1.442  -4.780
   60    HG1  THR   6           HG1      THR   6  11.299  -0.937  -6.843
   61   HG21  THR   6          HG21      THR   6  10.433  -2.928  -3.833
   62   HG22  THR   6          HG22      THR   6   9.187  -2.619  -5.044
   63   HG23  THR   6          HG23      THR   6   9.231  -1.668  -3.560
   64    H    CYS   7           HN       CYS   7   9.985   0.559  -6.940
   65    HA   CYS   7           HA       CYS   7   7.159   1.114  -6.602
   66    HB2  CYS   7           HB2      CYS   7   8.391   3.112  -8.370
   67    HB3  CYS   7           HB1      CYS   7   7.116   3.304  -7.175
   68    H    GLY   8           HN       GLY   8   8.778  -0.978  -7.797
   69    HA2  GLY   8           HA2      GLY   8   8.444  -0.587 -10.674
   70    HA3  GLY   8           HA1      GLY   8   9.275  -1.924  -9.899
   71    HA   PRO   9           HA       PRO   9   5.793  -4.573 -10.351
   72    HB2  PRO   9           HB2      PRO   9   5.356  -5.592  -7.838
   73    HB3  PRO   9           HB1      PRO   9   6.645  -6.138  -8.914
   74    HG2  PRO   9           HG2      PRO   9   6.768  -4.214  -6.629
   75    HG3  PRO   9           HG1      PRO   9   7.915  -5.487  -7.087
   76    HD2  PRO   9           HD2      PRO   9   8.365  -2.896  -7.650
   77    HD3  PRO   9           HD1      PRO   9   8.879  -4.195  -8.746
   78    H    SER  10           HN       SER  10   3.694  -5.237  -8.682
   79    HA   SER  10           HA       SER  10   1.829  -3.266  -9.091
   80    HB2  SER  10           HB2      SER  10   1.841  -5.284  -6.831
   81    HB3  SER  10           HB1      SER  10   0.426  -4.416  -7.426
   82    HG   SER  10           HG       SER  10   1.742  -6.591  -8.487
   83    H    SER  11           HN       SER  11   2.590  -1.229  -8.558
   84    HA   SER  11           HA       SER  11   2.494  -0.604  -5.703
   85    HB2  SER  11           HB2      SER  11   4.517   0.547  -5.670
   86    HB3  SER  11           HB1      SER  11   4.898  -0.816  -6.722
   87    HG   SER  11           HG       SER  11   4.557   0.540  -8.507
   88    H    PHE  12           HN       PHE  12   1.962   1.558  -5.212
   89    HA   PHE  12           HA       PHE  12   0.690   3.025  -7.426
   90    HB2  PHE  12           HB2      PHE  12  -1.066   2.119  -6.078
   91    HB3  PHE  12           HB1      PHE  12  -0.260   2.600  -4.591
   92    HD1  PHE  12           HD1      PHE  12  -1.559   4.163  -7.723
   93    HD2  PHE  12           HD2      PHE  12  -1.069   4.444  -3.505
   94    HE1  PHE  12           HE1      PHE  12  -2.832   6.269  -7.719
   95    HE2  PHE  12           HE2      PHE  12  -2.342   6.548  -3.493
   96    HZ   PHE  12           HZ       PHE  12  -3.226   7.464  -5.602
   97    H    SER  13           HN       SER  13   1.823   4.814  -7.822
   98    HA   SER  13           HA       SER  13   3.704   5.946  -6.084
   99    HB2  SER  13           HB2      SER  13   4.017   6.481  -8.341
  100    HB3  SER  13           HB1      SER  13   2.330   6.934  -8.563
  101    HG   SER  13           HG       SER  13   2.694   8.839  -7.560
  102    H    CYS  14           HN       CYS  14   3.417   7.036  -4.289
  103    HA   CYS  14           HA       CYS  14   0.987   7.778  -3.208
  104    HB2  CYS  14           HB2      CYS  14   3.715   7.941  -2.464
  105    HB3  CYS  14           HB1      CYS  14   3.008   9.526  -2.197
  106    HA   PRO  15           HA       PRO  15   0.012  11.268  -5.883
  107    HB2  PRO  15           HB2      PRO  15  -2.205  11.528  -3.936
  108    HB3  PRO  15           HB1      PRO  15  -2.262  11.405  -5.695
  109    HG2  PRO  15           HG2      PRO  15  -2.983   9.351  -4.156
  110    HG3  PRO  15           HG1      PRO  15  -2.102   9.095  -5.673
  111    HD2  PRO  15           HD2      PRO  15  -1.089   9.026  -2.860
  112    HD3  PRO  15           HD1      PRO  15  -0.678   7.978  -4.231
  113    H    GLY  16           HN       GLY  16   0.591  13.349  -5.748
  114    HA2  GLY  16           HA2      GLY  16   0.866  15.461  -4.798
  115    HA3  GLY  16           HA1      GLY  16   0.396  14.798  -3.241
  116    H    THR  17           HN       THR  17   2.261  12.700  -3.071
  117    HA   THR  17           HA       THR  17   4.677  14.247  -2.527
  118    HB   THR  17           HB       THR  17   5.261  11.967  -1.353
  119    HG1  THR  17           HG1      THR  17   3.459  10.827  -0.740
  120   HG21  THR  17          HG21      THR  17   3.593  14.208  -0.456
  121   HG22  THR  17          HG22      THR  17   5.055  13.517   0.251
  122   HG23  THR  17          HG23      THR  17   3.492  12.740   0.517
  123    H    HIS  18           HN       HIS  18   6.777  13.172  -2.872
  124    HA   HIS  18           HA       HIS  18   6.874  12.008  -5.548
  125    HB2  HIS  18           HB2      HIS  18   9.300  12.473  -5.390
  126    HB3  HIS  18           HB1      HIS  18   8.336  13.915  -5.076
  127    HD1  HIS  18           HD1      HIS  18  10.813  11.646  -3.498
  128    HD2  HIS  18           HD2      HIS  18   8.275  14.732  -2.362
  129    HE1  HIS  18           HE1      HIS  18  11.550  12.359  -1.186
  130    H    VAL  19           HN       VAL  19   5.955  10.455  -3.251
  131    HA   VAL  19           HA       VAL  19   8.076   8.425  -3.089
  132    HB   VAL  19           HB       VAL  19   7.500   9.382  -0.918
  133   HG11  VAL  19          HG11      VAL  19   4.964   9.592  -1.865
  134   HG12  VAL  19          HG12      VAL  19   5.421   9.749  -0.170
  135   HG13  VAL  19          HG13      VAL  19   4.819   8.208  -0.783
  136   HG21  VAL  19          HG21      VAL  19   7.169   7.347   0.282
  137   HG22  VAL  19          HG22      VAL  19   8.109   6.968  -1.162
  138   HG23  VAL  19          HG23      VAL  19   6.387   6.590  -1.106
  139    H    CYS  20           HN       CYS  20   7.341   6.173  -2.987
  140    HA   CYS  20           HA       CYS  20   4.870   5.747  -4.533
  141    HB2  CYS  20           HB2      CYS  20   6.044   3.712  -5.455
  142    HB3  CYS  20           HB1      CYS  20   6.712   5.258  -5.970
  143    H    VAL  21           HN       VAL  21   3.404   4.386  -3.701
  144    HA   VAL  21           HA       VAL  21   4.225   2.707  -1.420
  145    HB   VAL  21           HB       VAL  21   2.837   4.451  -0.566
  146   HG11  VAL  21          HG11      VAL  21   0.839   3.705  -2.696
  147   HG12  VAL  21          HG12      VAL  21   1.803   5.180  -2.639
  148   HG13  VAL  21          HG13      VAL  21   0.574   4.883  -1.410
  149   HG21  VAL  21          HG21      VAL  21   2.415   1.969   0.057
  150   HG22  VAL  21          HG22      VAL  21   0.892   2.192  -0.804
  151   HG23  VAL  21          HG23      VAL  21   1.271   3.200   0.593
  152    HA   PRO  22           HA       PRO  22   3.148  -0.795  -3.970
  153    HB2  PRO  22           HB2      PRO  22   2.536  -1.903  -1.268
  154    HB3  PRO  22           HB1      PRO  22   3.468  -2.608  -2.592
  155    HG2  PRO  22           HG2      PRO  22   4.710  -1.552  -0.504
  156    HG3  PRO  22           HG1      PRO  22   5.329  -1.317  -2.145
  157    HD2  PRO  22           HD2      PRO  22   3.879   0.594  -0.381
  158    HD3  PRO  22           HD1      PRO  22   5.164   0.908  -1.558
  159    H    GLU  23           HN       GLU  23   1.319  -1.779  -4.721
  160    HA   GLU  23           HA       GLU  23  -1.175  -0.565  -4.277
  161    HB2  GLU  23           HB2      GLU  23  -0.183  -2.212  -6.185
  162    HB3  GLU  23           HB1      GLU  23  -1.167  -3.353  -5.278
  163    HG2  GLU  23           HG2      GLU  23  -2.923  -1.347  -5.521
  164    HG3  GLU  23           HG1      GLU  23  -1.966  -1.084  -6.979
  165    H    ARG  24           HN       ARG  24   0.411  -3.312  -2.804
  166    HA   ARG  24           HA       ARG  24  -1.939  -4.274  -1.495
  167    HB2  ARG  24           HB2      ARG  24  -0.639  -5.987  -0.724
  168    HB3  ARG  24           HB1      ARG  24   0.350  -5.474  -2.075
  169    HG2  ARG  24           HG2      ARG  24   2.019  -5.432  -0.616
  170    HG3  ARG  24           HG1      ARG  24   1.310  -3.927  -0.044
  171    HD2  ARG  24           HD2      ARG  24  -0.019  -6.199   1.126
  172    HD3  ARG  24           HD1      ARG  24   1.717  -6.277   1.410
  173    HE   ARG  24           HE       ARG  24   0.538  -3.714   1.990
  174   HH11  ARG  24          HH11      ARG  24   1.282  -6.882   3.249
  175   HH12  ARG  24          HH12      ARG  24   1.330  -6.353   4.897
  176   HH21  ARG  24          HH21      ARG  24   0.609  -3.015   4.155
  177   HH22  ARG  24          HH22      ARG  24   0.946  -4.158   5.412
  178    H    TRP  25           HN       TRP  25   0.599  -1.992  -0.738
  179    HA   TRP  25           HA       TRP  25   0.098  -1.766   2.041
  180    HB2  TRP  25           HB2      TRP  25   1.365   0.059   0.005
  181    HB3  TRP  25           HB1      TRP  25   1.100   0.602   1.657
  182    HD1  TRP  25           HD1      TRP  25   2.107  -3.016   1.268
  183    HE1  TRP  25           HE1      TRP  25   4.536  -3.325   2.041
  184    HE3  TRP  25           HE3      TRP  25   3.417   1.895   1.790
  185    HZ2  TRP  25           HZ2      TRP  25   6.720  -1.705   2.775
  186    HZ3  TRP  25           HZ3      TRP  25   5.700   2.427   2.538
  187    HH2  TRP  25           HH2      TRP  25   7.315   0.665   3.022
  188    H    LEU  26           HN       LEU  26  -1.548  -0.665  -0.774
  189    HA   LEU  26           HA       LEU  26  -2.856   1.604  -0.044
  190    HB2  LEU  26           HB2      LEU  26  -3.575  -0.732  -1.720
  191    HB3  LEU  26           HB1      LEU  26  -4.846   0.396  -1.331
  192    HG   LEU  26           HG       LEU  26  -3.890   2.121  -2.555
  193   HD11  LEU  26          HD11      LEU  26  -1.624   2.332  -3.197
  194   HD12  LEU  26          HD12      LEU  26  -1.273   0.664  -2.753
  195   HD13  LEU  26          HD13      LEU  26  -1.620   1.854  -1.501
  196   HD21  LEU  26          HD21      LEU  26  -3.903  -0.496  -3.786
  197   HD22  LEU  26          HD22      LEU  26  -2.764   0.593  -4.578
  198   HD23  LEU  26          HD23      LEU  26  -4.460   1.053  -4.419
  199    H    CYS  27           HN       CYS  27  -4.403  -1.591   0.337
  200    HA   CYS  27           HA       CYS  27  -5.985  -0.456   2.529
  201    HB2  CYS  27           HB2      CYS  27  -6.445  -3.141   1.248
  202    HB3  CYS  27           HB1      CYS  27  -7.587  -2.150   2.143
  203    H    ASP  28           HN       ASP  28  -3.362  -0.984   3.223
  204    HA   ASP  28           HA       ASP  28  -3.053  -3.584   4.347
  205    HB2  ASP  28           HB2      ASP  28  -1.018  -2.781   5.284
  206    HB3  ASP  28           HB1      ASP  28  -1.176  -2.000   3.715
  207    H    GLY  29           HN       GLY  29  -4.717  -0.762   5.323
  208    HA2  GLY  29           HA2      GLY  29  -6.341  -1.032   7.119
  209    HA3  GLY  29           HA1      GLY  29  -5.122  -1.941   7.994
  210    H    ASP  30           HN       ASP  30  -3.558   0.556   6.522
  211    HA   ASP  30           HA       ASP  30  -4.192   2.645   8.405
  212    HB2  ASP  30           HB2      ASP  30  -1.515   1.235   8.532
  213    HB3  ASP  30           HB1      ASP  30  -1.885   2.757   9.336
  214    H    LYS  31           HN       LYS  31  -3.882   4.553   7.436
  215    HA   LYS  31           HA       LYS  31  -3.086   4.794   4.795
  216    HB2  LYS  31           HB2      LYS  31  -3.116   6.895   6.963
  217    HB3  LYS  31           HB1      LYS  31  -2.926   7.240   5.253
  218    HG2  LYS  31           HG2      LYS  31  -5.116   6.319   4.789
  219    HG3  LYS  31           HG1      LYS  31  -5.312   5.882   6.485
  220    HD2  LYS  31           HD2      LYS  31  -6.067   8.273   5.250
  221    HD3  LYS  31           HD1      LYS  31  -6.064   7.921   6.977
  222    HE2  LYS  31           HE2      LYS  31  -3.795   8.762   7.160
  223    HE3  LYS  31           HE1      LYS  31  -3.741   9.043   5.422
  224    HZ1  LYS  31           HZ1      LYS  31  -5.009  10.891   5.587
  225    HZ2  LYS  31           HZ2      LYS  31  -4.361  10.934   7.149
  226    HZ3  LYS  31           HZ3      LYS  31  -5.913  10.311   6.895
  227    H    ASP  32           HN       ASP  32  -1.237   5.019   3.758
  228    HA   ASP  32           HA       ASP  32   1.242   5.095   5.333
  229    HB2  ASP  32           HB2      ASP  32   0.449   3.798   2.771
  230    HB3  ASP  32           HB1      ASP  32   2.111   4.341   2.928
  231    H    CYS  33           HN       CYS  33  -0.551   6.601   2.755
  232    HA   CYS  33           HA       CYS  33   1.582   8.342   1.933
  233    HB2  CYS  33           HB2      CYS  33  -0.704   7.465   0.729
  234    HB3  CYS  33           HB1      CYS  33  -1.183   9.084   1.228
  235    H    ALA  34           HN       ALA  34   0.654  10.782   1.683
  236    HA   ALA  34           HA       ALA  34   0.716  11.821   4.339
  237    HB1  ALA  34           HB1      ALA  34   1.572  12.804   2.042
  238    HB2  ALA  34           HB2      ALA  34   1.081  13.855   3.371
  239    HB3  ALA  34           HB3      ALA  34  -0.030  13.542   2.037
  240    H    ASP  35           HN       ASP  35  -1.768  11.215   1.962
  241    HA   ASP  35           HA       ASP  35  -3.786  12.116   3.906
  242    HB2  ASP  35           HB2      ASP  35  -3.529  12.755   1.006
  243    HB3  ASP  35           HB1      ASP  35  -5.149  12.511   1.650
  244    H    GLY  36           HN       GLY  36  -2.739   9.479   3.616
  245    HA2  GLY  36           HA2      GLY  36  -3.435   7.305   3.395
  246    HA3  GLY  36           HA1      GLY  36  -5.046   7.950   3.654
  247    H    ALA  37           HN       ALA  37  -3.136   8.930   0.908
  248    HA   ALA  37           HA       ALA  37  -5.092   8.396  -0.979
  249    HB1  ALA  37           HB1      ALA  37  -2.194   8.956  -1.070
  250    HB2  ALA  37           HB2      ALA  37  -3.535   9.759  -1.889
  251    HB3  ALA  37           HB3      ALA  37  -2.905   8.235  -2.515
  252    H    ASP  38           HN       ASP  38  -2.674   6.290   0.389
  253    HA   ASP  38           HA       ASP  38  -2.939   4.208  -1.547
  254    HB2  ASP  38           HB2      ASP  38  -2.078   2.979   0.811
  255    HB3  ASP  38           HB1      ASP  38  -1.063   3.560  -0.500
  256    H    GLU  39           HN       GLU  39  -4.456   4.957   1.532
  257    HA   GLU  39           HA       GLU  39  -6.028   2.527   1.528
  258    HB2  GLU  39           HB2      GLU  39  -6.288   4.973   3.282
  259    HB3  GLU  39           HB1      GLU  39  -7.048   3.416   3.558
  260    HG2  GLU  39           HG2      GLU  39  -4.080   3.605   3.368
  261    HG3  GLU  39           HG1      GLU  39  -4.905   4.057   4.858
  262    H    SER  40           HN       SER  40  -6.252   5.720   0.302
  263    HA   SER  40           HA       SER  40  -9.103   5.854   0.180
  264    HB2  SER  40           HB2      SER  40  -6.885   7.482  -1.044
  265    HB3  SER  40           HB1      SER  40  -8.578   7.777  -1.442
  266    HG   SER  40           HG       SER  40  -7.614   9.013   0.370
  267    H    ILE  41           HN       ILE  41 -10.247   6.136  -1.898
  268    HA   ILE  41           HA       ILE  41  -9.927   3.825  -3.497
  269    HB   ILE  41           HB       ILE  41 -12.085   5.025  -3.017
  270   HG12  ILE  41          HG12      ILE  41 -12.737   4.815  -5.613
  271   HG13  ILE  41          HG11      ILE  41 -11.178   4.000  -5.642
  272   HG21  ILE  41          HG21      ILE  41 -11.171   7.288  -3.569
  273   HG22  ILE  41          HG22      ILE  41 -12.731   6.913  -4.303
  274   HG23  ILE  41          HG23      ILE  41 -11.258   6.834  -5.271
  275   HD11  ILE  41          HD11      ILE  41 -12.764   3.089  -3.424
  276   HD12  ILE  41          HD12      ILE  41 -12.050   2.172  -4.752
  277   HD13  ILE  41          HD13      ILE  41 -13.639   2.913  -4.946
  278    H    ALA  42           HN       ALA  42  -8.690   7.042  -3.703
  279    HA   ALA  42           HA       ALA  42  -8.257   7.449  -6.385
  280    HB1  ALA  42           HB1      ALA  42  -5.891   8.140  -4.871
  281    HB2  ALA  42           HB2      ALA  42  -7.363   8.589  -4.008
  282    HB3  ALA  42           HB3      ALA  42  -7.081   9.190  -5.643
  283    H    ALA  43           HN       ALA  43  -6.724   5.185  -4.248
  284    HA   ALA  43           HA       ALA  43  -4.716   4.457  -6.243
  285    HB1  ALA  43           HB1      ALA  43  -5.063   3.250  -3.514
  286    HB2  ALA  43           HB2      ALA  43  -4.187   4.758  -3.779
  287    HB3  ALA  43           HB3      ALA  43  -3.620   3.265  -4.529
  288    H    GLY  44           HN       GLY  44  -7.718   3.381  -4.900
  289    HA2  GLY  44           HA2      GLY  44  -9.047   1.834  -6.220
  290    HA3  GLY  44           HA1      GLY  44  -7.563   0.964  -6.584
  291    H    CYS  45           HN       CYS  45  -8.490   2.198  -3.423
  292    HA   CYS  45           HA       CYS  45  -8.115  -0.409  -2.271
  293    HB2  CYS  45           HB2      CYS  45  -8.011   2.261  -1.343
  294    HB3  CYS  45           HB1      CYS  45  -9.266   1.456  -0.411
  295    H    LEU  46           HN       LEU  46 -10.655   0.869  -3.885
  296    HA   LEU  46           HA       LEU  46 -12.831   0.267  -4.109
  297    HB2  LEU  46           HB2      LEU  46 -12.380  -1.824  -1.994
  298    HB3  LEU  46           HB1      LEU  46 -13.586  -1.822  -3.264
  299    HG   LEU  46           HG       LEU  46 -12.137  -3.325  -4.159
  300   HD11  LEU  46          HD11      LEU  46 -10.538  -0.951  -5.036
  301   HD12  LEU  46          HD12      LEU  46 -12.200  -1.186  -5.578
  302   HD13  LEU  46          HD13      LEU  46 -10.974  -2.399  -5.945
  303   HD21  LEU  46          HD21      LEU  46  -9.578  -2.058  -3.433
  304   HD22  LEU  46          HD22      LEU  46 -10.054  -3.756  -3.415
  305   HD23  LEU  46          HD23      LEU  46 -10.538  -2.691  -2.095
  306    H    TYR  47           HN       TYR  47 -11.777   2.038  -1.821
  307    HA   TYR  47           HA       TYR  47 -14.273   2.793  -0.794
  308    HB2  TYR  47           HB2      TYR  47 -14.076   2.093   1.538
  309    HB3  TYR  47           HB1      TYR  47 -14.107   0.690   0.474
  310    HD1  TYR  47           HD2      TYR  47 -11.742   2.944   2.259
  311    HD2  TYR  47           HD1      TYR  47 -12.450  -0.935   0.667
  312    HE1  TYR  47           HE2      TYR  47  -9.636   2.164   3.249
  313    HE2  TYR  47           HE1      TYR  47 -10.344  -1.733   1.652
  314    HH   TYR  47           HH       TYR  47  -8.776  -1.186   3.349
  315    H    ASN  48           HN       ASN  48 -14.034   4.333   1.111
  316    HA   ASN  48           HA       ASN  48 -11.623   5.438   1.924
  317    HB2  ASN  48           HB2      ASN  48 -11.679   5.958  -0.652
  318    HB3  ASN  48           HB1      ASN  48 -12.776   7.238  -0.168
  319   HD21  ASN  48          HD21      ASN  48 -11.062   8.589  -1.084
  320   HD22  ASN  48          HD22      ASN  48  -9.744   9.049  -0.065
  321    H    SER  49           HN       SER  49 -12.787   8.291   1.508
  322    HA   SER  49           HA       SER  49 -14.170   9.726   2.591
  323    HB2  SER  49           HB2      SER  49 -15.819   7.588   1.912
  324    HB3  SER  49           HB1      SER  49 -16.128   7.837   3.630
  325    HG   SER  49           HG       SER  49 -16.932   9.314   1.535
  326    H    THR  50           HN       THR  50 -14.690   6.787   4.529
  327    HA   THR  50           HA       THR  50 -14.281   8.191   6.977
  328    HB   THR  50           HB       THR  50 -14.447   5.913   7.999
  329    HG1  THR  50           HG1      THR  50 -14.634   4.163   6.741
  330   HG21  THR  50          HG21      THR  50 -16.530   6.918   7.820
  331   HG22  THR  50          HG22      THR  50 -16.745   5.360   7.022
  332   HG23  THR  50          HG23      THR  50 -16.531   6.822   6.059
  333    H    GLY  51           HN       GLY  51 -12.691   7.530   8.628
  334    HA2  GLY  51           HA2      GLY  51 -10.044   7.579   7.514
  335    HA3  GLY  51           HA1      GLY  51 -10.458   7.573   9.223
  336    H    SER  52           HN       SER  52 -12.001   5.193   9.236
  337    HA   SER  52           HA       SER  52  -9.882   3.274   9.407
  338    HB2  SER  52           HB2      SER  52 -11.475   1.822  10.393
  339    HB3  SER  52           HB1      SER  52 -11.922   3.438  10.941
  340    HG   SER  52           HG       SER  52 -13.467   3.452   9.197
  341    H    GLY  53           HN       GLY  53  -9.427   1.569   8.090
  342    HA2  GLY  53           HA2      GLY  53 -10.558   1.676   5.417
  343    HA3  GLY  53           HA1      GLY  53  -9.186   0.707   5.933
  344    H    SER  54           HN       SER  54 -10.138  -1.023   4.712
  345    HA   SER  54           HA       SER  54 -11.332  -2.938   4.458
  346    HB2  SER  54           HB2      SER  54 -11.738  -4.226   6.416
  347    HB3  SER  54           HB1      SER  54 -10.303  -3.262   6.759
  348    HG   SER  54           HG       SER  54 -12.319  -3.391   8.281
  349    H    GLY  55           HN       GLY  55 -12.901  -1.519   3.309
  350    HA2  GLY  55           HA2      GLY  55 -15.470  -1.367   4.759
  351    HA3  GLY  55           HA1      GLY  55 -15.018  -0.303   3.436
  352    H    SER  56           HN       SER  56 -13.852  -2.626   1.949
  353    HA   SER  56           HA       SER  56 -16.301  -3.406   0.631
  354    HB2  SER  56           HB2      SER  56 -13.787  -2.900  -0.289
  355    HB3  SER  56           HB1      SER  56 -13.777  -4.663  -0.241
  356    HG   SER  56           HG       SER  56 -14.691  -4.357  -2.139
  357    H    GLY  57           HN       GLY  57 -13.479  -5.370   1.591
  358    HA2  GLY  57           HA2      GLY  57 -14.309  -7.083   3.405
  359    HA3  GLY  57           HA1      GLY  57 -15.290  -7.624   2.052
  360    H    SER 129           HN       SER 129 -14.482  -9.330   1.051
  361    HA   SER 129           HA       SER 129 -11.868 -10.297   1.476
  362    HB2  SER 129           HB2      SER 129 -13.587 -11.077  -0.873
  363    HB3  SER 129           HB1      SER 129 -12.436 -12.069   0.021
  364    HG   SER 129           HG       SER 129 -15.066 -11.447   0.595
  365    H    THR 130           HN       THR 130 -13.337  -8.564  -1.245
  366    HA   THR 130           HA       THR 130 -11.219  -8.678  -3.037
  367    HB   THR 130           HB       THR 130 -12.773  -6.142  -2.825
  368    HG1  THR 130           HG1      THR 130 -14.618  -7.151  -3.573
  369   HG21  THR 130          HG21      THR 130 -13.166  -7.075  -5.315
  370   HG22  THR 130          HG22      THR 130 -11.597  -7.792  -4.948
  371   HG23  THR 130          HG23      THR 130 -11.814  -6.045  -4.847
  372    H    GLU 131           HN       GLU 131 -11.631  -6.731  -0.179
  373    HA   GLU 131           HA       GLU 131  -9.690  -4.762  -0.699
  374    HB2  GLU 131           HB2      GLU 131 -11.309  -4.509   1.095
  375    HB3  GLU 131           HB1      GLU 131 -10.653  -5.912   1.926
  376    HG2  GLU 131           HG2      GLU 131  -8.807  -3.668   1.339
  377    HG3  GLU 131           HG1      GLU 131 -10.013  -3.440   2.604
  378    H    GLU 132           HN       GLU 132  -9.445  -7.776   1.188
  379    HA   GLU 132           HA       GLU 132  -6.620  -7.533   1.533
  380    HB2  GLU 132           HB2      GLU 132  -8.060 -10.144   1.808
  381    HB3  GLU 132           HB1      GLU 132  -6.729  -9.504   2.760
  382    HG2  GLU 132           HG2      GLU 132  -8.795  -7.718   3.207
  383    HG3  GLU 132           HG1      GLU 132  -9.582  -9.295   3.182
  384    H    LEU 133           HN       LEU 133  -8.689  -8.978  -0.850
  385    HA   LEU 133           HA       LEU 133  -7.052 -10.889  -1.986
  386    HB2  LEU 133           HB2      LEU 133  -9.341  -9.291  -2.827
  387    HB3  LEU 133           HB1      LEU 133  -8.295  -9.729  -4.164
  388    HG   LEU 133           HG       LEU 133  -8.646 -12.038  -3.832
  389   HD11  LEU 133          HD11      LEU 133  -8.600 -12.751  -1.715
  390   HD12  LEU 133          HD12      LEU 133 -10.338 -12.449  -1.715
  391   HD13  LEU 133          HD13      LEU 133  -9.229 -11.227  -1.091
  392   HD21  LEU 133          HD21      LEU 133 -10.650 -10.441  -4.547
  393   HD22  LEU 133          HD22      LEU 133 -11.380 -11.157  -3.109
  394   HD23  LEU 133          HD23      LEU 133 -10.831 -12.193  -4.428
  395    H    ARG 134           HN       ARG 134  -7.377  -7.539  -3.177
  396    HA   ARG 134           HA       ARG 134  -5.211  -7.669  -4.950
  397    HB2  ARG 134           HB2      ARG 134  -5.418  -5.295  -5.159
  398    HB3  ARG 134           HB1      ARG 134  -7.037  -5.953  -4.968
  399    HG2  ARG 134           HG2      ARG 134  -6.745  -5.400  -2.475
  400    HG3  ARG 134           HG1      ARG 134  -5.400  -4.390  -3.007
  401    HD2  ARG 134           HD2      ARG 134  -7.992  -4.100  -4.427
  402    HD3  ARG 134           HD1      ARG 134  -7.886  -3.464  -2.788
  403    HE   ARG 134           HE       ARG 134  -6.434  -1.830  -3.528
  404   HH11  ARG 134          HH11      ARG 134  -7.014  -4.138  -6.087
  405   HH12  ARG 134          HH12      ARG 134  -6.320  -3.134  -7.314
  406   HH21  ARG 134          HH21      ARG 134  -5.533  -0.512  -5.146
  407   HH22  ARG 134          HH22      ARG 134  -5.480  -1.079  -6.781
  408    H    VAL 135           HN       VAL 135  -5.330  -7.100  -1.528
  409    HA   VAL 135           HA       VAL 135  -2.602  -6.096  -1.457
  410    HB   VAL 135           HB       VAL 135  -4.564  -6.585   0.782
  411   HG11  VAL 135          HG11      VAL 135  -2.469  -6.704   1.805
  412   HG12  VAL 135          HG12      VAL 135  -2.950  -5.019   2.010
  413   HG13  VAL 135          HG13      VAL 135  -1.787  -5.459   0.760
  414   HG21  VAL 135          HG21      VAL 135  -4.215  -3.915   0.690
  415   HG22  VAL 135          HG22      VAL 135  -5.508  -4.764  -0.157
  416   HG23  VAL 135          HG23      VAL 135  -4.036  -4.315  -1.019
  417    H    ARG 136           HN       ARG 136  -4.072  -9.118  -1.443
  418    HA   ARG 136           HA       ARG 136  -2.340 -10.420   0.437
  419    HB2  ARG 136           HB2      ARG 136  -4.713 -11.065  -0.930
  420    HB3  ARG 136           HB1      ARG 136  -3.515 -12.231  -1.475
  421    HG2  ARG 136           HG2      ARG 136  -4.710 -13.101   0.425
  422    HG3  ARG 136           HG1      ARG 136  -3.027 -12.800   0.862
  423    HD2  ARG 136           HD2      ARG 136  -4.753 -10.506   1.344
  424    HD3  ARG 136           HD1      ARG 136  -5.252 -11.937   2.244
  425    HE   ARG 136           HE       ARG 136  -2.436 -11.357   2.415
  426   HH11  ARG 136          HH11      ARG 136  -5.585 -10.759   3.795
  427   HH12  ARG 136          HH12      ARG 136  -4.960 -10.321   5.349
  428   HH21  ARG 136          HH21      ARG 136  -1.611 -10.782   4.459
  429   HH22  ARG 136          HH22      ARG 136  -2.704 -10.333   5.726
  430    H    LEU 137           HN       LEU 137  -2.705 -10.872  -3.085
  431    HA   LEU 137           HA       LEU 137  -0.401 -12.347  -3.494
  432    HB2  LEU 137           HB2      LEU 137  -1.991 -12.246  -5.234
  433    HB3  LEU 137           HB1      LEU 137  -1.944 -10.496  -5.288
  434    HG   LEU 137           HG       LEU 137  -0.820 -11.832  -7.189
  435   HD11  LEU 137          HD11      LEU 137   0.439 -10.001  -7.685
  436   HD12  LEU 137          HD12      LEU 137   1.074  -9.852  -6.046
  437   HD13  LEU 137          HD13      LEU 137  -0.569  -9.322  -6.406
  438   HD21  LEU 137          HD21      LEU 137   1.671 -11.799  -5.631
  439   HD22  LEU 137          HD22      LEU 137   1.098 -12.951  -6.837
  440   HD23  LEU 137          HD23      LEU 137   0.518 -13.053  -5.175
  441    H    ALA 138           HN       ALA 138  -0.783  -8.836  -3.989
  442    HA   ALA 138           HA       ALA 138   1.880  -8.300  -4.627
  443    HB1  ALA 138           HB1      ALA 138   0.378  -6.621  -5.163
  444    HB2  ALA 138           HB2      ALA 138   1.266  -5.946  -3.797
  445    HB3  ALA 138           HB3      ALA 138  -0.347  -6.619  -3.554
  446    H    SER 139           HN       SER 139   0.476  -9.033  -1.576
  447    HA   SER 139           HA       SER 139   2.425  -7.691   0.037
  448    HB2  SER 139           HB2      SER 139   0.635  -8.036   1.385
  449    HB3  SER 139           HB1      SER 139   0.099  -9.447   0.480
  450    HG   SER 139           HG       SER 139   0.751 -10.169   2.463
  451    H    HIS 140           HN       HIS 140   2.759 -10.270  -1.980
  452    HA   HIS 140           HA       HIS 140   4.264 -12.053  -0.347
  453    HB2  HIS 140           HB2      HIS 140   4.777 -13.204  -2.431
  454    HB3  HIS 140           HB1      HIS 140   3.065 -12.801  -2.350
  455    HD1  HIS 140           HD1      HIS 140   4.206  -9.675  -3.204
  456    HD2  HIS 140           HD2      HIS 140   4.194 -13.276  -5.271
  457    HE1  HIS 140           HE1      HIS 140   4.364  -9.085  -5.658
  458    H    LEU 141           HN       LEU 141   5.103  -9.028  -1.560
  459    HA   LEU 141           HA       LEU 141   7.942  -9.738  -1.305
  460    HB2  LEU 141           HB2      LEU 141   7.475  -9.614  -3.678
  461    HB3  LEU 141           HB1      LEU 141   6.761  -8.024  -3.482
  462    HG   LEU 141           HG       LEU 141   9.303  -7.721  -2.419
  463   HD11  LEU 141          HD11      LEU 141   9.648 -10.032  -3.584
  464   HD12  LEU 141          HD12      LEU 141  10.872  -8.768  -3.720
  465   HD13  LEU 141          HD13      LEU 141   9.745  -9.051  -5.047
  466   HD21  LEU 141          HD21      LEU 141   9.660  -6.683  -4.825
  467   HD22  LEU 141          HD22      LEU 141   8.574  -5.947  -3.645
  468   HD23  LEU 141          HD23      LEU 141   7.921  -6.961  -4.933
  469    H    ARG 142           HN       ARG 142   5.903  -6.860  -1.820
  470    HA   ARG 142           HA       ARG 142   7.317  -4.825  -0.931
  471    HB2  ARG 142           HB2      ARG 142   4.572  -5.279   0.228
  472    HB3  ARG 142           HB1      ARG 142   5.346  -3.742  -0.128
  473    HG2  ARG 142           HG2      ARG 142   4.355  -5.783  -2.101
  474    HG3  ARG 142           HG1      ARG 142   3.701  -4.177  -1.800
  475    HD2  ARG 142           HD2      ARG 142   5.086  -3.309  -3.307
  476    HD3  ARG 142           HD1      ARG 142   6.474  -3.932  -2.418
  477    HE   ARG 142           HE       ARG 142   6.722  -5.431  -4.102
  478   HH11  ARG 142          HH11      ARG 142   3.330  -4.626  -3.897
  479   HH12  ARG 142          HH12      ARG 142   2.875  -5.684  -5.188
  480   HH21  ARG 142          HH21      ARG 142   6.121  -6.821  -5.804
  481   HH22  ARG 142          HH22      ARG 142   4.456  -6.929  -6.270
  482    H    LYS 143           HN       LYS 143   5.322  -6.371   1.596
  483    HA   LYS 143           HA       LYS 143   7.140  -5.428   3.622
  484    HB2  LYS 143           HB2      LYS 143   4.789  -7.288   3.975
  485    HB3  LYS 143           HB1      LYS 143   5.573  -6.316   5.213
  486    HG2  LYS 143           HG2      LYS 143   4.186  -5.110   2.837
  487    HG3  LYS 143           HG1      LYS 143   3.364  -5.467   4.356
  488    HD2  LYS 143           HD2      LYS 143   5.273  -4.090   5.435
  489    HD3  LYS 143           HD1      LYS 143   5.525  -3.469   3.802
  490    HE2  LYS 143           HE2      LYS 143   4.040  -1.913   4.586
  491    HE3  LYS 143           HE1      LYS 143   2.918  -3.095   3.912
  492    HZ1  LYS 143           HZ1      LYS 143   2.798  -4.076   6.191
  493    HZ2  LYS 143           HZ2      LYS 143   2.139  -2.524   6.056
  494    HZ3  LYS 143           HZ3      LYS 143   3.663  -2.736   6.759
  495    H    LEU 144           HN       LEU 144   7.092  -8.092   1.613
  496    HA   LEU 144           HA       LEU 144   8.468  -9.815   3.549
  497    HB2  LEU 144           HB2      LEU 144   6.776 -10.290   1.194
  498    HB3  LEU 144           HB1      LEU 144   8.193 -11.319   1.279
  499    HG   LEU 144           HG       LEU 144   6.195 -11.046   3.521
  500   HD11  LEU 144          HD11      LEU 144   5.290 -12.013   1.352
  501   HD12  LEU 144          HD12      LEU 144   5.143 -13.019   2.794
  502   HD13  LEU 144          HD13      LEU 144   6.406 -13.353   1.609
  503   HD21  LEU 144          HD21      LEU 144   7.364 -12.665   4.628
  504   HD22  LEU 144          HD22      LEU 144   8.690 -11.868   3.782
  505   HD23  LEU 144          HD23      LEU 144   8.013 -13.367   3.146
  506    H    ARG 145           HN       ARG 145   9.610  -7.436   2.098
  507    HA   ARG 145           HA       ARG 145  12.136  -8.580   1.483
  508    HB2  ARG 145           HB2      ARG 145  11.149  -9.203  -0.607
  509    HB3  ARG 145           HB1      ARG 145  10.428  -7.613  -0.809
  510    HG2  ARG 145           HG2      ARG 145  12.327  -7.874  -2.278
  511    HG3  ARG 145           HG1      ARG 145  12.661  -6.639  -1.063
  512    HD2  ARG 145           HD2      ARG 145  13.622  -8.822   0.193
  513    HD3  ARG 145           HD1      ARG 145  13.908  -9.277  -1.487
  514    HE   ARG 145           HE       ARG 145  14.805  -6.625  -0.780
  515   HH11  ARG 145          HH11      ARG 145  15.659 -10.004  -1.003
  516   HH12  ARG 145          HH12      ARG 145  17.360  -9.695  -1.099
  517   HH21  ARG 145          HH21      ARG 145  17.040  -6.220  -0.906
  518   HH22  ARG 145          HH22      ARG 145  18.145  -7.547  -1.044
  519    H    LYS 146           HN       LYS 146  10.562  -5.768  -0.010
  520    HA   LYS 146           HA       LYS 146  10.928  -3.530   0.183
  521    HB2  LYS 146           HB2      LYS 146  10.723  -4.369   2.740
  522    HB3  LYS 146           HB1      LYS 146  12.361  -3.730   2.765
  523    HG2  LYS 146           HG2      LYS 146  11.410  -1.763   3.185
  524    HG3  LYS 146           HG1      LYS 146  10.978  -1.751   1.475
  525    HD2  LYS 146           HD2      LYS 146   8.839  -1.671   2.083
  526    HD3  LYS 146           HD1      LYS 146   9.014  -3.300   2.738
  527    HE2  LYS 146           HE2      LYS 146   9.948  -2.111   4.828
  528    HE3  LYS 146           HE1      LYS 146   9.205  -0.663   4.148
  529    HZ1  LYS 146           HZ1      LYS 146   7.957  -2.456   5.737
  530    HZ2  LYS 146           HZ2      LYS 146   7.458  -2.953   4.200
  531    HZ3  LYS 146           HZ3      LYS 146   7.174  -1.365   4.708
  532    H    ARG 147           HN       ARG 147  12.992  -2.033   1.215
  533    HA   ARG 147           HA       ARG 147  15.350  -3.111  -0.186
  534    HB2  ARG 147           HB2      ARG 147  14.148  -1.222  -1.348
  535    HB3  ARG 147           HB1      ARG 147  14.597  -0.196   0.007
  536    HG2  ARG 147           HG2      ARG 147  16.932  -1.524  -0.921
  537    HG3  ARG 147           HG1      ARG 147  16.097  -0.819  -2.306
  538    HD2  ARG 147           HD2      ARG 147  16.359   0.861   0.119
  539    HD3  ARG 147           HD1      ARG 147  17.829   0.550  -0.804
  540    HE   ARG 147           HE       ARG 147  16.105   1.330  -2.714
  541   HH11  ARG 147          HH11      ARG 147  16.968   2.716   0.370
  542   HH12  ARG 147          HH12      ARG 147  16.660   4.343  -0.133
  543   HH21  ARG 147          HH21      ARG 147  15.700   3.473  -3.379
  544   HH22  ARG 147          HH22      ARG 147  15.943   4.774  -2.261
  545    H    LEU 148           HN       LEU 148  14.285  -0.849   2.346
  546    HA   LEU 148           HA       LEU 148  16.947  -0.963   3.548
  547    HB2  LEU 148           HB2      LEU 148  16.068   1.247   3.335
  548    HB3  LEU 148           HB1      LEU 148  14.547   0.781   4.071
  549    HG   LEU 148           HG       LEU 148  15.695   0.446   6.224
  550   HD11  LEU 148          HD11      LEU 148  18.026   1.398   6.409
  551   HD12  LEU 148          HD12      LEU 148  18.103   1.316   4.649
  552   HD13  LEU 148          HD13      LEU 148  17.888  -0.159   5.592
  553   HD21  LEU 148          HD21      LEU 148  14.821   2.734   5.229
  554   HD22  LEU 148          HD22      LEU 148  16.525   3.167   5.369
  555   HD23  LEU 148          HD23      LEU 148  15.626   2.653   6.796
  556    H    LEU 149           HN       LEU 149  13.934  -0.588   5.346
  557    HA   LEU 149           HA       LEU 149  14.797  -2.629   7.200
  558    HB2  LEU 149           HB2      LEU 149  13.190  -1.812   8.666
  559    HB3  LEU 149           HB1      LEU 149  13.707  -0.386   7.792
  560    HG   LEU 149           HG       LEU 149  11.121  -1.899   7.487
  561   HD11  LEU 149          HD11      LEU 149  11.757   0.972   8.140
  562   HD12  LEU 149          HD12      LEU 149  11.231  -0.260   9.287
  563   HD13  LEU 149          HD13      LEU 149  10.143   0.275   8.006
  564   HD21  LEU 149          HD21      LEU 149  10.565  -0.342   5.674
  565   HD22  LEU 149          HD22      LEU 149  11.923  -1.385   5.249
  566   HD23  LEU 149          HD23      LEU 149  12.210   0.291   5.720
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1   5.561  12.652   4.537
    2    H2   GLY   1           HT2      GLY   1   6.641  11.352   4.511
    3    H3   GLY   1           HT3      GLY   1   6.016  11.902   5.984
    4    HA2  GLY   1           HA1      GLY   1   3.772  11.353   4.570
    5    HA3  GLY   1           HA2      GLY   1   4.879  10.084   4.066
    6    H    SER   2           HN       SER   2   3.561   8.528   5.108
    7    HA   SER   2           HA       SER   2   3.443   8.682   8.030
    8    HB2  SER   2           HB2      SER   2   2.117   6.690   6.175
    9    HB3  SER   2           HB1      SER   2   1.823   6.869   7.905
   10    HG   SER   2           HG       SER   2   1.411   8.964   6.045
   11    H    LYS   2           HN       LYS   2   3.943   6.004   5.723
   12    HA   LYS   2           HA       LYS   2   6.420   5.291   7.062
   13    HB2  LYS   2           HB2      LYS   2   3.947   3.583   7.116
   14    HB3  LYS   2           HB1      LYS   2   5.550   2.872   7.241
   15    HG2  LYS   2           HG2      LYS   2   5.399   3.199   9.428
   16    HG3  LYS   2           HG1      LYS   2   5.588   4.921   9.096
   17    HD2  LYS   2           HD2      LYS   2   2.908   4.460   8.610
   18    HD3  LYS   2           HD1      LYS   2   3.254   3.443  10.010
   19    HE2  LYS   2           HE2      LYS   2   3.624   6.413   9.728
   20    HE3  LYS   2           HE1      LYS   2   2.586   5.548  10.860
   21    HZ1  LYS   2           HZ1      LYS   2   4.818   4.549  11.665
   22    HZ2  LYS   2           HZ2      LYS   2   4.374   6.104  12.166
   23    HZ3  LYS   2           HZ3      LYS   2   5.503   5.907  10.924
   24    H    LEU   2           HN       LEU   2   6.381   6.233   4.588
   25    HA   LEU   2           HA       LEU   2   6.226   4.008   2.713
   26    HB2  LEU   2           HB2      LEU   2   6.885   6.914   2.261
   27    HB3  LEU   2           HB1      LEU   2   6.715   5.713   0.996
   28    HG   LEU   2           HG       LEU   2   4.683   6.828   0.939
   29   HD11  LEU   2          HD11      LEU   2   4.068   4.626   2.893
   30   HD12  LEU   2          HD12      LEU   2   4.454   4.342   1.196
   31   HD13  LEU   2          HD13      LEU   2   3.025   5.280   1.630
   32   HD21  LEU   2          HD21      LEU   2   3.611   7.849   2.686
   33   HD22  LEU   2          HD22      LEU   2   5.282   7.914   3.249
   34   HD23  LEU   2          HD23      LEU   2   4.190   6.676   3.870
   35    H    GLU   3           HN       GLU   3   8.058   3.065   4.105
   36    HA   GLU   3           HA       GLU   3  10.556   3.656   2.719
   37    HB2  GLU   3           HB2      GLU   3  11.704   3.375   5.049
   38    HB3  GLU   3           HB1      GLU   3  11.058   4.939   4.572
   39    HG2  GLU   3           HG2      GLU   3  10.314   4.723   6.740
   40    HG3  GLU   3           HG1      GLU   3   8.924   4.173   5.808
   41    H    GLY   4           HN       GLY   4  11.333   1.831   1.940
   42    HA2  GLY   4           HA2      GLY   4  12.309  -0.341   2.403
   43    HA3  GLY   4           HA1      GLY   4  10.989  -0.632   3.525
   44    H    LYS   5           HN       LYS   5  11.215   0.391   0.108
   45    HA   LYS   5           HA       LYS   5  10.322  -1.930  -1.071
   46    HB2  LYS   5           HB2      LYS   5   8.306  -1.698   0.296
   47    HB3  LYS   5           HB1      LYS   5   8.018  -0.108  -0.379
   48    HG2  LYS   5           HG2      LYS   5   8.198  -2.501  -2.158
   49    HG3  LYS   5           HG1      LYS   5   6.713  -2.153  -1.280
   50    HD2  LYS   5           HD2      LYS   5   7.993  -0.676  -3.518
   51    HD3  LYS   5           HD1      LYS   5   6.300  -1.068  -3.257
   52    HE2  LYS   5           HE2      LYS   5   6.426   0.597  -1.303
   53    HE3  LYS   5           HE1      LYS   5   7.924   1.147  -2.042
   54    HZ1  LYS   5           HZ1      LYS   5   6.706   1.619  -4.075
   55    HZ2  LYS   5           HZ2      LYS   5   6.044   2.472  -2.772
   56    HZ3  LYS   5           HZ3      LYS   5   5.263   1.093  -3.364
   57    H    THR   6           HN       THR   6  10.211  -1.761  -3.265
   58    HA   THR   6           HA       THR   6  11.337   0.499  -4.509
   59    HB   THR   6           HB       THR   6  11.611  -1.745  -5.389
   60    HG1  THR   6           HG1      THR   6  11.814  -0.345  -7.024
   61   HG21  THR   6          HG21      THR   6   9.986  -3.185  -5.949
   62   HG22  THR   6          HG22      THR   6   8.918  -1.917  -6.551
   63   HG23  THR   6          HG23      THR   6   9.036  -2.220  -4.817
   64    H    CYS   7           HN       CYS   7   9.577   0.418  -6.935
   65    HA   CYS   7           HA       CYS   7   7.033   1.489  -6.120
   66    HB2  CYS   7           HB2      CYS   7   8.666   3.415  -7.729
   67    HB3  CYS   7           HB1      CYS   7   7.269   3.725  -6.708
   68    H    GLY   8           HN       GLY   8   7.760  -0.703  -7.734
   69    HA2  GLY   8           HA2      GLY   8   6.866   0.259 -10.384
   70    HA3  GLY   8           HA1      GLY   8   8.065  -1.012 -10.207
   71    HA   PRO   9           HA       PRO   9   4.969  -4.129 -10.407
   72    HB2  PRO   9           HB2      PRO   9   6.083  -5.394  -7.973
   73    HB3  PRO   9           HB1      PRO   9   5.902  -6.053  -9.600
   74    HG2  PRO   9           HG2      PRO   9   8.302  -5.367  -8.662
   75    HG3  PRO   9           HG1      PRO   9   7.863  -5.083 -10.358
   76    HD2  PRO   9           HD2      PRO   9   7.965  -3.147  -8.075
   77    HD3  PRO   9           HD1      PRO   9   8.481  -2.929  -9.762
   78    H    SER  10           HN       SER  10   2.939  -3.600  -9.887
   79    HA   SER  10           HA       SER  10   1.105  -2.994  -8.674
   80    HB2  SER  10           HB2      SER  10   2.388  -5.238  -7.276
   81    HB3  SER  10           HB1      SER  10   1.271  -4.305  -6.278
   82    HG   SER  10           HG       SER  10  -0.218  -4.571  -8.140
   83    H    SER  11           HN       SER  11   2.615  -0.924  -8.595
   84    HA   SER  11           HA       SER  11   2.681  -0.092  -5.784
   85    HB2  SER  11           HB2      SER  11   4.679   1.213  -6.183
   86    HB3  SER  11           HB1      SER  11   4.975  -0.451  -6.697
   87    HG   SER  11           HG       SER  11   4.616   0.209  -8.838
   88    H    PHE  12           HN       PHE  12   1.953   1.892  -5.293
   89    HA   PHE  12           HA       PHE  12   0.810   3.502  -7.478
   90    HB2  PHE  12           HB2      PHE  12  -1.004   2.503  -6.265
   91    HB3  PHE  12           HB1      PHE  12  -0.277   2.921  -4.719
   92    HD1  PHE  12           HD2      PHE  12  -1.425   4.623  -7.836
   93    HD2  PHE  12           HD1      PHE  12  -1.167   4.695  -3.589
   94    HE1  PHE  12           HE2      PHE  12  -2.726   6.709  -7.797
   95    HE2  PHE  12           HE1      PHE  12  -2.472   6.779  -3.541
   96    HZ   PHE  12           HZ       PHE  12  -3.254   7.789  -5.647
   97    H    SER  13           HN       SER  13   2.006   5.300  -7.689
   98    HA   SER  13           HA       SER  13   3.754   6.283  -5.717
   99    HB2  SER  13           HB2      SER  13   2.916   7.074  -8.400
  100    HB3  SER  13           HB1      SER  13   3.272   8.455  -7.365
  101    HG   SER  13           HG       SER  13   5.320   7.890  -7.286
  102    H    CYS  14           HN       CYS  14   3.309   7.309  -3.896
  103    HA   CYS  14           HA       CYS  14   0.809   8.047  -3.016
  104    HB2  CYS  14           HB2      CYS  14   3.582   8.643  -2.183
  105    HB3  CYS  14           HB1      CYS  14   2.345   9.720  -1.552
  106    HA   PRO  15           HA       PRO  15  -0.004  11.507  -5.818
  107    HB2  PRO  15           HB2      PRO  15  -2.242  11.733  -3.866
  108    HB3  PRO  15           HB1      PRO  15  -2.280  11.769  -5.630
  109    HG2  PRO  15           HG2      PRO  15  -3.054   9.600  -4.290
  110    HG3  PRO  15           HG1      PRO  15  -2.163   9.468  -5.816
  111    HD2  PRO  15           HD2      PRO  15  -1.222   9.016  -3.031
  112    HD3  PRO  15           HD1      PRO  15  -0.718   8.229  -4.535
  113    H    GLY  16           HN       GLY  16   0.552  13.607  -5.676
  114    HA2  GLY  16           HA2      GLY  16   0.842  15.708  -4.707
  115    HA3  GLY  16           HA1      GLY  16   0.372  15.031  -3.156
  116    H    THR  17           HN       THR  17   2.241  12.916  -3.036
  117    HA   THR  17           HA       THR  17   4.697  14.463  -2.604
  118    HB   THR  17           HB       THR  17   5.274  12.506  -1.075
  119    HG1  THR  17           HG1      THR  17   3.436  11.306  -0.383
  120   HG21  THR  17          HG21      THR  17   2.876  14.198  -0.429
  121   HG22  THR  17          HG22      THR  17   4.566  14.541  -0.053
  122   HG23  THR  17          HG23      THR  17   3.738  13.200   0.741
  123    H    HIS  18           HN       HIS  18   6.682  13.701  -3.276
  124    HA   HIS  18           HA       HIS  18   6.746  12.222  -5.680
  125    HB2  HIS  18           HB2      HIS  18   9.240  12.275  -5.335
  126    HB3  HIS  18           HB1      HIS  18   8.459  13.852  -5.271
  127    HD1  HIS  18           HD1      HIS  18  10.471  11.495  -3.227
  128    HD2  HIS  18           HD2      HIS  18   8.294  14.991  -2.680
  129    HE1  HIS  18           HE1      HIS  18  11.132  12.398  -0.958
  130    H    VAL  19           HN       VAL  19   6.634  11.243  -2.428
  131    HA   VAL  19           HA       VAL  19   8.129   8.876  -2.470
  132    HB   VAL  19           HB       VAL  19   7.326   9.946  -0.412
  133   HG11  VAL  19          HG11      VAL  19   4.656   8.764  -0.504
  134   HG12  VAL  19          HG12      VAL  19   4.899  10.076  -1.656
  135   HG13  VAL  19          HG13      VAL  19   5.179  10.350   0.064
  136   HG21  VAL  19          HG21      VAL  19   7.814   7.393  -0.734
  137   HG22  VAL  19          HG22      VAL  19   6.091   7.236  -0.385
  138   HG23  VAL  19          HG23      VAL  19   7.164   8.003   0.786
  139    H    CYS  20           HN       CYS  20   7.317   6.662  -2.423
  140    HA   CYS  20           HA       CYS  20   4.973   6.278  -4.169
  141    HB2  CYS  20           HB2      CYS  20   6.103   4.450  -5.260
  142    HB3  CYS  20           HB1      CYS  20   7.155   5.862  -5.313
  143    H    VAL  21           HN       VAL  21   3.491   4.810  -3.554
  144    HA   VAL  21           HA       VAL  21   4.121   3.096  -1.238
  145    HB   VAL  21           HB       VAL  21   2.561   4.822  -0.527
  146   HG11  VAL  21          HG11      VAL  21   0.273   4.900  -1.539
  147   HG12  VAL  21          HG12      VAL  21   0.884   3.887  -2.846
  148   HG13  VAL  21          HG13      VAL  21   1.562   5.494  -2.586
  149   HG21  VAL  21          HG21      VAL  21   2.318   2.535   0.359
  150   HG22  VAL  21          HG22      VAL  21   1.103   2.211  -0.878
  151   HG23  VAL  21          HG23      VAL  21   0.802   3.436   0.354
  152    HA   PRO  22           HA       PRO  22   3.037  -0.097  -4.093
  153    HB2  PRO  22           HB2      PRO  22   3.040  -2.146  -2.222
  154    HB3  PRO  22           HB1      PRO  22   4.425  -1.574  -3.144
  155    HG2  PRO  22           HG2      PRO  22   3.861  -1.282  -0.346
  156    HG3  PRO  22           HG1      PRO  22   5.325  -0.855  -1.220
  157    HD2  PRO  22           HD2      PRO  22   3.240   0.874  -0.231
  158    HD3  PRO  22           HD1      PRO  22   4.779   1.317  -0.982
  159    H    GLU  23           HN       GLU  23   1.459  -1.753  -4.480
  160    HA   GLU  23           HA       GLU  23  -1.147  -0.930  -3.903
  161    HB2  GLU  23           HB2      GLU  23   0.053  -2.730  -5.637
  162    HB3  GLU  23           HB1      GLU  23  -0.959  -3.746  -4.623
  163    HG2  GLU  23           HG2      GLU  23  -2.902  -2.435  -5.176
  164    HG3  GLU  23           HG1      GLU  23  -1.910  -1.305  -6.097
  165    H    ARG  24           HN       ARG  24   0.962  -3.173  -2.246
  166    HA   ARG  24           HA       ARG  24  -1.095  -4.425  -0.721
  167    HB2  ARG  24           HB2      ARG  24   0.832  -5.720  -0.852
  168    HB3  ARG  24           HB1      ARG  24   1.893  -4.350  -0.577
  169    HG2  ARG  24           HG2      ARG  24   1.944  -5.838   1.321
  170    HG3  ARG  24           HG1      ARG  24   1.208  -4.307   1.782
  171    HD2  ARG  24           HD2      ARG  24  -0.997  -5.284   1.619
  172    HD3  ARG  24           HD1      ARG  24  -0.311  -6.802   1.056
  173    HE   ARG  24           HE       ARG  24   0.761  -6.981   3.272
  174   HH11  ARG  24          HH11      ARG  24  -2.011  -4.871   2.950
  175   HH12  ARG  24          HH12      ARG  24  -2.442  -4.993   4.619
  176   HH21  ARG  24          HH21      ARG  24   0.189  -7.126   5.460
  177   HH22  ARG  24          HH22      ARG  24  -1.197  -6.267   6.042
  178    H    TRP  25           HN       TRP  25   0.758  -1.502  -0.404
  179    HA   TRP  25           HA       TRP  25  -0.066  -1.116   2.361
  180    HB2  TRP  25           HB2      TRP  25   1.480   0.765   0.578
  181    HB3  TRP  25           HB1      TRP  25   1.321   0.878   2.323
  182    HD1  TRP  25           HD1      TRP  25   1.885  -2.647   1.569
  183    HE1  TRP  25           HE1      TRP  25   4.361  -3.290   1.823
  184    HE3  TRP  25           HE3      TRP  25   3.907   2.037   1.800
  185    HZ2  TRP  25           HZ2      TRP  25   6.853  -1.980   2.084
  186    HZ3  TRP  25           HZ3      TRP  25   6.345   2.253   2.054
  187    HH2  TRP  25           HH2      TRP  25   7.785   0.289   2.199
  188    H    LEU  26           HN       LEU  26  -1.776  -0.956  -0.307
  189    HA   LEU  26           HA       LEU  26  -2.801   1.722  -0.209
  190    HB2  LEU  26           HB2      LEU  26  -3.247  -0.688  -1.818
  191    HB3  LEU  26           HB1      LEU  26  -4.685   0.276  -1.565
  192    HG   LEU  26           HG       LEU  26  -3.795   2.127  -2.696
  193   HD11  LEU  26          HD11      LEU  26  -1.254   1.061  -1.806
  194   HD12  LEU  26          HD12      LEU  26  -1.696   2.710  -2.246
  195   HD13  LEU  26          HD13      LEU  26  -1.207   1.565  -3.496
  196   HD21  LEU  26          HD21      LEU  26  -4.390   0.738  -4.412
  197   HD22  LEU  26          HD22      LEU  26  -3.200  -0.490  -3.978
  198   HD23  LEU  26          HD23      LEU  26  -2.685   0.990  -4.790
  199    H    CYS  27           HN       CYS  27  -4.482  -1.386   0.279
  200    HA   CYS  27           HA       CYS  27  -6.214  -0.034   2.235
  201    HB2  CYS  27           HB2      CYS  27  -6.808  -2.756   1.125
  202    HB3  CYS  27           HB1      CYS  27  -7.921  -1.533   1.721
  203    H    ASP  28           HN       ASP  28  -3.679  -0.724   3.120
  204    HA   ASP  28           HA       ASP  28  -3.700  -3.280   4.406
  205    HB2  ASP  28           HB2      ASP  28  -1.514  -2.777   4.264
  206    HB3  ASP  28           HB1      ASP  28  -1.837  -1.059   4.082
  207    H    GLY  29           HN       GLY  29  -4.950  -0.165   5.166
  208    HA2  GLY  29           HA2      GLY  29  -6.660  -0.153   6.924
  209    HA3  GLY  29           HA1      GLY  29  -5.566  -1.130   7.887
  210    H    ASP  30           HN       ASP  30  -4.113   1.398   6.085
  211    HA   ASP  30           HA       ASP  30  -4.388   3.416   8.121
  212    HB2  ASP  30           HB2      ASP  30  -1.777   1.940   7.753
  213    HB3  ASP  30           HB1      ASP  30  -1.884   3.526   8.509
  214    H    LYS  31           HN       LYS  31  -3.528   5.447   7.471
  215    HA   LYS  31           HA       LYS  31  -3.435   5.739   4.610
  216    HB2  LYS  31           HB2      LYS  31  -3.251   7.732   6.864
  217    HB3  LYS  31           HB1      LYS  31  -3.206   8.184   5.167
  218    HG2  LYS  31           HG2      LYS  31  -5.421   7.070   4.893
  219    HG3  LYS  31           HG1      LYS  31  -5.466   6.860   6.644
  220    HD2  LYS  31           HD2      LYS  31  -5.723   9.111   7.041
  221    HD3  LYS  31           HD1      LYS  31  -4.960   9.575   5.519
  222    HE2  LYS  31           HE2      LYS  31  -7.304  10.053   5.371
  223    HE3  LYS  31           HE1      LYS  31  -6.943   8.684   4.320
  224    HZ1  LYS  31           HZ1      LYS  31  -8.745   7.853   5.375
  225    HZ2  LYS  31           HZ2      LYS  31  -8.517   8.779   6.773
  226    HZ3  LYS  31           HZ3      LYS  31  -7.589   7.388   6.521
  227    H    ASP  32           HN       ASP  32  -1.503   4.526   4.233
  228    HA   ASP  32           HA       ASP  32   1.021   5.073   5.248
  229    HB2  ASP  32           HB2      ASP  32  -0.083   3.520   3.113
  230    HB3  ASP  32           HB1      ASP  32   1.330   4.380   2.510
  231    H    CYS  33           HN       CYS  33  -0.682   6.540   2.513
  232    HA   CYS  33           HA       CYS  33   1.510   8.208   1.755
  233    HB2  CYS  33           HB2      CYS  33  -1.411   8.137   1.045
  234    HB3  CYS  33           HB1      CYS  33  -0.380   9.451   0.493
  235    H    ALA  34           HN       ALA  34   0.754  10.700   1.488
  236    HA   ALA  34           HA       ALA  34   0.891  11.754   4.124
  237    HB1  ALA  34           HB1      ALA  34   0.183  13.555   1.891
  238    HB2  ALA  34           HB2      ALA  34   1.698  12.663   1.745
  239    HB3  ALA  34           HB3      ALA  34   1.425  13.716   3.133
  240    H    ASP  35           HN       ASP  35  -1.682  11.442   1.739
  241    HA   ASP  35           HA       ASP  35  -3.573  12.473   3.750
  242    HB2  ASP  35           HB2      ASP  35  -3.093  13.613   1.311
  243    HB3  ASP  35           HB1      ASP  35  -4.460  12.563   0.947
  244    H    GLY  36           HN       GLY  36  -2.669   9.714   3.335
  245    HA2  GLY  36           HA2      GLY  36  -3.612   7.619   3.357
  246    HA3  GLY  36           HA1      GLY  36  -5.166   8.421   3.515
  247    H    ALA  37           HN       ALA  37  -3.191   9.177   0.774
  248    HA   ALA  37           HA       ALA  37  -5.136   8.553  -1.107
  249    HB1  ALA  37           HB1      ALA  37  -3.104   8.466  -2.706
  250    HB2  ALA  37           HB2      ALA  37  -2.177   8.942  -1.282
  251    HB3  ALA  37           HB3      ALA  37  -3.479   9.976  -1.873
  252    H    ASP  38           HN       ASP  38  -2.572   6.568   0.252
  253    HA   ASP  38           HA       ASP  38  -2.698   4.400  -1.517
  254    HB2  ASP  38           HB2      ASP  38  -1.659   3.097   0.272
  255    HB3  ASP  38           HB1      ASP  38  -0.924   4.691   0.184
  256    H    GLU  39           HN       GLU  39  -4.602   5.244   1.307
  257    HA   GLU  39           HA       GLU  39  -6.183   2.815   1.132
  258    HB2  GLU  39           HB2      GLU  39  -6.607   5.194   2.941
  259    HB3  GLU  39           HB1      GLU  39  -7.284   3.584   3.132
  260    HG2  GLU  39           HG2      GLU  39  -4.329   3.920   3.090
  261    HG3  GLU  39           HG1      GLU  39  -5.228   4.351   4.542
  262    H    SER  40           HN       SER  40  -6.227   6.000  -0.092
  263    HA   SER  40           HA       SER  40  -9.052   6.285  -0.386
  264    HB2  SER  40           HB2      SER  40  -6.993   7.694  -2.074
  265    HB3  SER  40           HB1      SER  40  -8.584   8.268  -1.577
  266    HG   SER  40           HG       SER  40  -7.640   8.110   0.643
  267    H    ILE  41           HN       ILE  41  -9.988   6.614  -2.630
  268    HA   ILE  41           HA       ILE  41  -9.742   4.160  -4.048
  269    HB   ILE  41           HB       ILE  41 -11.849   5.497  -3.781
  270   HG12  ILE  41          HG12      ILE  41 -12.317   5.207  -6.421
  271   HG13  ILE  41          HG11      ILE  41 -10.832   4.278  -6.275
  272   HG21  ILE  41          HG21      ILE  41 -12.296   7.355  -5.192
  273   HG22  ILE  41          HG22      ILE  41 -10.769   7.145  -6.053
  274   HG23  ILE  41          HG23      ILE  41 -10.768   7.677  -4.369
  275   HD11  ILE  41          HD11      ILE  41 -11.901   2.577  -5.340
  276   HD12  ILE  41          HD12      ILE  41 -13.404   3.397  -5.766
  277   HD13  ILE  41          HD13      ILE  41 -12.693   3.631  -4.168
  278    H    ALA  42           HN       ALA  42  -8.311   7.287  -4.357
  279    HA   ALA  42           HA       ALA  42  -7.699   7.503  -7.024
  280    HB1  ALA  42           HB1      ALA  42  -6.359   8.363  -4.519
  281    HB2  ALA  42           HB2      ALA  42  -6.981   9.325  -5.861
  282    HB3  ALA  42           HB3      ALA  42  -5.444   8.477  -6.023
  283    H    ALA  43           HN       ALA  43  -6.428   5.283  -4.682
  284    HA   ALA  43           HA       ALA  43  -4.307   4.387  -6.479
  285    HB1  ALA  43           HB1      ALA  43  -4.897   3.190  -3.799
  286    HB2  ALA  43           HB2      ALA  43  -4.064   4.738  -3.934
  287    HB3  ALA  43           HB3      ALA  43  -3.360   3.292  -4.658
  288    H    GLY  44           HN       GLY  44  -7.475   3.507  -5.418
  289    HA2  GLY  44           HA2      GLY  44  -8.754   1.964  -6.774
  290    HA3  GLY  44           HA1      GLY  44  -7.280   1.036  -7.015
  291    H    CYS  45           HN       CYS  45  -8.320   2.364  -3.947
  292    HA   CYS  45           HA       CYS  45  -8.168  -0.236  -2.725
  293    HB2  CYS  45           HB2      CYS  45  -8.063   2.502  -1.863
  294    HB3  CYS  45           HB1      CYS  45  -9.251   1.635  -0.896
  295    H    LEU  46           HN       LEU  46 -10.545   1.155  -4.492
  296    HA   LEU  46           HA       LEU  46 -12.745   0.670  -4.797
  297    HB2  LEU  46           HB2      LEU  46 -12.530  -1.310  -2.538
  298    HB3  LEU  46           HB1      LEU  46 -13.694  -1.298  -3.846
  299    HG   LEU  46           HG       LEU  46 -12.354  -2.944  -4.635
  300   HD11  LEU  46          HD11      LEU  46 -10.452  -0.811  -5.509
  301   HD12  LEU  46          HD12      LEU  46 -12.110  -0.833  -6.107
  302   HD13  LEU  46          HD13      LEU  46 -11.050  -2.212  -6.396
  303   HD21  LEU  46          HD21      LEU  46 -10.797  -2.349  -2.509
  304   HD22  LEU  46          HD22      LEU  46  -9.713  -1.933  -3.836
  305   HD23  LEU  46          HD23      LEU  46 -10.394  -3.556  -3.729
  306    H    TYR  47           HN       TYR  47 -11.580   2.398  -2.474
  307    HA   TYR  47           HA       TYR  47 -14.002   3.542  -1.663
  308    HB2  TYR  47           HB2      TYR  47 -14.098   2.919   0.691
  309    HB3  TYR  47           HB1      TYR  47 -14.212   1.477  -0.312
  310    HD1  TYR  47           HD1      TYR  47 -11.971   3.422   1.890
  311    HD2  TYR  47           HD2      TYR  47 -12.574  -0.244  -0.182
  312    HE1  TYR  47           HE1      TYR  47 -10.089   2.428   3.115
  313    HE2  TYR  47           HE2      TYR  47 -10.695  -1.250   1.038
  314    HH   TYR  47           HH       TYR  47  -8.399   0.308   2.496
  315    H    ASN  48           HN       ASN  48 -13.384   4.728   0.708
  316    HA   ASN  48           HA       ASN  48 -10.698   5.636   0.866
  317    HB2  ASN  48           HB2      ASN  48 -11.190   6.850  -1.138
  318    HB3  ASN  48           HB1      ASN  48 -12.718   7.419  -0.488
  319   HD21  ASN  48          HD21      ASN  48  -9.642   7.297   1.206
  320   HD22  ASN  48          HD22      ASN  48  -9.463   9.005   1.384
  321    H    SER  49           HN       SER  49 -13.804   7.328   1.280
  322    HA   SER  49           HA       SER  49 -13.117   8.089   3.961
  323    HB2  SER  49           HB2      SER  49 -15.114   8.815   1.990
  324    HB3  SER  49           HB1      SER  49 -15.846   8.599   3.581
  325    HG   SER  49           HG       SER  49 -13.504  10.137   3.199
  326    H    THR  50           HN       THR  50 -12.838   5.735   4.585
  327    HA   THR  50           HA       THR  50 -15.186   4.931   6.046
  328    HB   THR  50           HB       THR  50 -15.249   2.638   5.141
  329    HG1  THR  50           HG1      THR  50 -13.337   3.658   3.319
  330   HG21  THR  50          HG21      THR  50 -15.531   4.615   2.897
  331   HG22  THR  50          HG22      THR  50 -16.729   4.379   4.169
  332   HG23  THR  50          HG23      THR  50 -16.340   3.056   3.069
  333    H    GLY  51           HN       GLY  51 -12.450   2.941   4.974
  334    HA2  GLY  51           HA2      GLY  51 -10.796   1.888   6.168
  335    HA3  GLY  51           HA1      GLY  51 -10.737   3.357   7.129
  336    H    SER  52           HN       SER  52 -10.579   2.606   9.166
  337    HA   SER  52           HA       SER  52 -11.250   1.747  11.165
  338    HB2  SER  52           HB2      SER  52 -13.883   0.874  10.035
  339    HB3  SER  52           HB1      SER  52 -13.516   1.549  11.623
  340    HG   SER  52           HG       SER  52 -13.883   2.855   9.168
  341    H    GLY  53           HN       GLY  53 -12.891  -0.356   8.787
  342    HA2  GLY  53           HA2      GLY  53 -11.053  -2.518   9.356
  343    HA3  GLY  53           HA1      GLY  53 -12.680  -2.768   9.972
  344    H    SER  54           HN       SER  54 -10.740  -2.351   7.078
  345    HA   SER  54           HA       SER  54 -11.041  -3.014   4.925
  346    HB2  SER  54           HB2      SER  54 -12.076  -5.061   4.555
  347    HB3  SER  54           HB1      SER  54 -11.709  -5.151   6.277
  348    HG   SER  54           HG       SER  54 -13.824  -5.756   6.027
  349    H    GLY  55           HN       GLY  55 -11.845  -1.648   3.486
  350    HA2  GLY  55           HA2      GLY  55 -14.467  -0.456   3.914
  351    HA3  GLY  55           HA1      GLY  55 -13.280   0.040   2.718
  352    H    SER  56           HN       SER  56 -12.868  -2.585   1.610
  353    HA   SER  56           HA       SER  56 -15.411  -2.854   0.155
  354    HB2  SER  56           HB2      SER  56 -12.936  -2.329  -0.869
  355    HB3  SER  56           HB1      SER  56 -13.002  -4.085  -1.020
  356    HG   SER  56           HG       SER  56 -14.511  -3.910  -2.495
  357    H    GLY  57           HN       GLY  57 -14.728  -4.172   2.706
  358    HA2  GLY  57           HA2      GLY  57 -15.002  -6.233   3.676
  359    HA3  GLY  57           HA1      GLY  57 -15.768  -6.721   2.172
  360    H    SER 129           HN       SER 129 -14.885  -8.755   2.062
  361    HA   SER 129           HA       SER 129 -12.222  -9.432   2.560
  362    HB2  SER 129           HB2      SER 129 -14.346 -10.721   0.851
  363    HB3  SER 129           HB1      SER 129 -12.740 -11.425   1.035
  364    HG   SER 129           HG       SER 129 -14.350 -10.730   3.254
  365    H    THR 130           HN       THR 130 -13.794  -8.324  -0.398
  366    HA   THR 130           HA       THR 130 -11.785  -8.825  -2.239
  367    HB   THR 130           HB       THR 130 -13.235  -6.237  -2.453
  368    HG1  THR 130           HG1      THR 130 -15.032  -7.159  -1.902
  369   HG21  THR 130          HG21      THR 130 -12.510  -6.590  -4.528
  370   HG22  THR 130          HG22      THR 130 -13.855  -7.726  -4.641
  371   HG23  THR 130          HG23      THR 130 -12.238  -8.309  -4.244
  372    H    GLU 131           HN       GLU 131 -12.031  -6.320   0.179
  373    HA   GLU 131           HA       GLU 131 -10.051  -4.575  -0.777
  374    HB2  GLU 131           HB2      GLU 131 -11.566  -3.906   0.995
  375    HB3  GLU 131           HB1      GLU 131 -10.947  -5.168   2.049
  376    HG2  GLU 131           HG2      GLU 131  -9.057  -3.127   0.997
  377    HG3  GLU 131           HG1      GLU 131 -10.162  -2.682   2.298
  378    H    GLU 132           HN       GLU 132  -9.792  -7.050   1.778
  379    HA   GLU 132           HA       GLU 132  -6.979  -6.913   1.962
  380    HB2  GLU 132           HB2      GLU 132  -8.542  -9.388   2.639
  381    HB3  GLU 132           HB1      GLU 132  -7.111  -8.742   3.428
  382    HG2  GLU 132           HG2      GLU 132  -8.974  -6.741   3.759
  383    HG3  GLU 132           HG1      GLU 132  -9.920  -8.218   3.934
  384    H    LEU 133           HN       LEU 133  -9.144  -8.730  -0.082
  385    HA   LEU 133           HA       LEU 133  -7.505 -10.773  -0.967
  386    HB2  LEU 133           HB2      LEU 133  -9.859  -9.354  -1.992
  387    HB3  LEU 133           HB1      LEU 133  -8.884 -10.118  -3.232
  388    HG   LEU 133           HG       LEU 133  -9.140 -12.282  -2.160
  389   HD11  LEU 133          HD11      LEU 133 -10.060 -12.652  -0.112
  390   HD12  LEU 133          HD12      LEU 133 -11.108 -11.237  -0.201
  391   HD13  LEU 133          HD13      LEU 133  -9.395 -11.044   0.167
  392   HD21  LEU 133          HD21      LEU 133 -11.837 -12.138  -2.114
  393   HD22  LEU 133          HD22      LEU 133 -10.876 -12.218  -3.589
  394   HD23  LEU 133          HD23      LEU 133 -11.448 -10.660  -2.994
  395    H    ARG 134           HN       ARG 134  -8.137  -7.930  -3.004
  396    HA   ARG 134           HA       ARG 134  -6.006  -8.263  -4.727
  397    HB2  ARG 134           HB2      ARG 134  -6.339  -5.970  -5.400
  398    HB3  ARG 134           HB1      ARG 134  -7.903  -6.707  -5.078
  399    HG2  ARG 134           HG2      ARG 134  -8.051  -5.585  -2.954
  400    HG3  ARG 134           HG1      ARG 134  -6.417  -4.946  -3.140
  401    HD2  ARG 134           HD2      ARG 134  -8.874  -4.251  -4.730
  402    HD3  ARG 134           HD1      ARG 134  -7.907  -3.190  -3.706
  403    HE   ARG 134           HE       ARG 134  -7.364  -3.949  -6.430
  404   HH11  ARG 134          HH11      ARG 134  -5.993  -2.748  -3.452
  405   HH12  ARG 134          HH12      ARG 134  -4.646  -1.991  -4.233
  406   HH21  ARG 134          HH21      ARG 134  -5.590  -2.957  -7.456
  407   HH22  ARG 134          HH22      ARG 134  -4.417  -2.110  -6.505
  408    H    VAL 135           HN       VAL 135  -5.991  -6.972  -1.510
  409    HA   VAL 135           HA       VAL 135  -3.365  -5.770  -1.827
  410    HB   VAL 135           HB       VAL 135  -5.196  -5.977   0.567
  411   HG11  VAL 135          HG11      VAL 135  -3.719  -4.491   1.737
  412   HG12  VAL 135          HG12      VAL 135  -2.653  -4.380   0.339
  413   HG13  VAL 135          HG13      VAL 135  -2.800  -5.902   1.216
  414   HG21  VAL 135          HG21      VAL 135  -5.233  -3.439   0.160
  415   HG22  VAL 135          HG22      VAL 135  -6.164  -4.469  -0.927
  416   HG23  VAL 135          HG23      VAL 135  -4.603  -3.831  -1.440
  417    H    ARG 136           HN       ARG 136  -4.725  -8.758  -0.743
  418    HA   ARG 136           HA       ARG 136  -2.676  -9.563   1.027
  419    HB2  ARG 136           HB2      ARG 136  -5.083 -10.653   0.027
  420    HB3  ARG 136           HB1      ARG 136  -3.820 -11.820  -0.329
  421    HG2  ARG 136           HG2      ARG 136  -4.182 -12.561   1.740
  422    HG3  ARG 136           HG1      ARG 136  -3.249 -11.155   2.252
  423    HD2  ARG 136           HD2      ARG 136  -6.055 -10.544   1.764
  424    HD3  ARG 136           HD1      ARG 136  -5.825 -11.764   3.015
  425    HE   ARG 136           HE       ARG 136  -5.159  -8.973   3.173
  426   HH11  ARG 136          HH11      ARG 136  -4.458 -12.155   4.424
  427   HH12  ARG 136          HH12      ARG 136  -3.837 -11.564   5.929
  428   HH21  ARG 136          HH21      ARG 136  -4.343  -8.193   5.153
  429   HH22  ARG 136          HH22      ARG 136  -3.772  -9.315   6.343
  430    H    LEU 137           HN       LEU 137  -3.220 -10.351  -2.410
  431    HA   LEU 137           HA       LEU 137  -0.999 -11.954  -2.804
  432    HB2  LEU 137           HB2      LEU 137  -2.839 -11.588  -4.435
  433    HB3  LEU 137           HB1      LEU 137  -2.161 -10.014  -4.801
  434    HG   LEU 137           HG       LEU 137  -1.632 -11.860  -6.443
  435   HD11  LEU 137          HD11      LEU 137  -0.224  -9.681  -5.785
  436   HD12  LEU 137          HD12      LEU 137   0.282 -10.813  -7.038
  437   HD13  LEU 137          HD13      LEU 137   0.976 -10.921  -5.421
  438   HD21  LEU 137          HD21      LEU 137  -0.054 -13.525  -5.915
  439   HD22  LEU 137          HD22      LEU 137  -1.222 -13.548  -4.594
  440   HD23  LEU 137          HD23      LEU 137   0.345 -12.770  -4.372
  441    H    ALA 138           HN       ALA 138  -1.140  -8.587  -3.956
  442    HA   ALA 138           HA       ALA 138   1.401  -8.074  -4.589
  443    HB1  ALA 138           HB1      ALA 138   0.916  -5.735  -3.411
  444    HB2  ALA 138           HB2      ALA 138  -0.715  -6.405  -3.393
  445    HB3  ALA 138           HB3      ALA 138   0.151  -6.231  -4.920
  446    H    SER 139           HN       SER 139   0.268  -8.466  -1.307
  447    HA   SER 139           HA       SER 139   2.369  -7.342   0.110
  448    HB2  SER 139           HB2      SER 139   1.210  -8.117   1.863
  449    HB3  SER 139           HB1      SER 139   0.087  -8.821   0.706
  450    HG   SER 139           HG       SER 139   0.701 -10.538   1.853
  451    H    HIS 140           HN       HIS 140   2.465 -10.046  -1.952
  452    HA   HIS 140           HA       HIS 140   4.267 -11.765  -0.792
  453    HB2  HIS 140           HB2      HIS 140   4.894 -12.435  -3.068
  454    HB3  HIS 140           HB1      HIS 140   3.152 -12.245  -2.903
  455    HD1  HIS 140           HD1      HIS 140   6.037 -11.048  -4.867
  456    HD2  HIS 140           HD2      HIS 140   2.120  -9.884  -4.157
  457    HE1  HIS 140           HE1      HIS 140   5.436  -9.388  -6.679
  458    H    LEU 141           HN       LEU 141   4.908  -8.562  -2.013
  459    HA   LEU 141           HA       LEU 141   7.734  -8.966  -1.312
  460    HB2  LEU 141           HB2      LEU 141   7.632  -9.092  -3.714
  461    HB3  LEU 141           HB1      LEU 141   6.708  -7.604  -3.794
  462    HG   LEU 141           HG       LEU 141   9.021  -6.868  -2.441
  463   HD11  LEU 141          HD11      LEU 141  10.870  -7.797  -3.439
  464   HD12  LEU 141          HD12      LEU 141   9.964  -8.365  -4.842
  465   HD13  LEU 141          HD13      LEU 141   9.809  -9.198  -3.294
  466   HD21  LEU 141          HD21      LEU 141   9.583  -5.997  -4.871
  467   HD22  LEU 141          HD22      LEU 141   8.251  -5.322  -3.931
  468   HD23  LEU 141          HD23      LEU 141   7.930  -6.523  -5.182
  469    H    ARG 142           HN       ARG 142   5.414  -6.420  -2.249
  470    HA   ARG 142           HA       ARG 142   6.533  -4.155  -1.403
  471    HB2  ARG 142           HB2      ARG 142   3.740  -4.805  -0.490
  472    HB3  ARG 142           HB1      ARG 142   4.391  -3.239  -0.947
  473    HG2  ARG 142           HG2      ARG 142   3.776  -5.557  -2.755
  474    HG3  ARG 142           HG1      ARG 142   2.964  -3.998  -2.695
  475    HD2  ARG 142           HD2      ARG 142   4.370  -3.232  -4.227
  476    HD3  ARG 142           HD1      ARG 142   5.708  -3.484  -3.105
  477    HE   ARG 142           HE       ARG 142   6.381  -5.129  -4.517
  478   HH11  ARG 142          HH11      ARG 142   2.891  -4.998  -4.644
  479   HH12  ARG 142          HH12      ARG 142   2.761  -6.320  -5.751
  480   HH21  ARG 142          HH21      ARG 142   6.200  -6.854  -5.995
  481   HH22  ARG 142          HH22      ARG 142   4.633  -7.359  -6.531
  482    H    LYS 143           HN       LYS 143   4.548  -6.009   0.924
  483    HA   LYS 143           HA       LYS 143   5.648  -4.609   3.157
  484    HB2  LYS 143           HB2      LYS 143   3.813  -6.966   2.853
  485    HB3  LYS 143           HB1      LYS 143   4.438  -6.516   4.434
  486    HG2  LYS 143           HG2      LYS 143   3.008  -4.567   2.658
  487    HG3  LYS 143           HG1      LYS 143   2.160  -5.613   3.799
  488    HD2  LYS 143           HD2      LYS 143   3.523  -4.674   5.628
  489    HD3  LYS 143           HD1      LYS 143   4.300  -3.592   4.470
  490    HE2  LYS 143           HE2      LYS 143   2.295  -2.412   4.075
  491    HE3  LYS 143           HE1      LYS 143   1.320  -3.656   4.857
  492    HZ1  LYS 143           HZ1      LYS 143   3.349  -2.404   6.516
  493    HZ2  LYS 143           HZ2      LYS 143   1.760  -2.843   6.894
  494    HZ3  LYS 143           HZ3      LYS 143   2.062  -1.406   6.055
  495    H    LEU 144           HN       LEU 144   6.284  -7.682   1.591
  496    HA   LEU 144           HA       LEU 144   7.880  -8.816   3.614
  497    HB2  LEU 144           HB2      LEU 144   7.175  -9.407   0.869
  498    HB3  LEU 144           HB1      LEU 144   8.864  -9.771   1.176
  499    HG   LEU 144           HG       LEU 144   6.628 -10.811   2.908
  500   HD11  LEU 144          HD11      LEU 144   7.046 -12.967   1.670
  501   HD12  LEU 144          HD12      LEU 144   7.896 -12.008   0.459
  502   HD13  LEU 144          HD13      LEU 144   6.185 -11.718   0.771
  503   HD21  LEU 144          HD21      LEU 144   8.477 -12.551   3.338
  504   HD22  LEU 144          HD22      LEU 144   8.616 -10.970   4.108
  505   HD23  LEU 144          HD23      LEU 144   9.568 -11.338   2.670
  506    H    ARG 145           HN       ARG 145   9.196  -7.838   0.467
  507    HA   ARG 145           HA       ARG 145  11.795  -7.422   1.459
  508    HB2  ARG 145           HB2      ARG 145  10.991  -7.833  -0.966
  509    HB3  ARG 145           HB1      ARG 145  10.748  -6.093  -1.027
  510    HG2  ARG 145           HG2      ARG 145  12.891  -6.660  -1.968
  511    HG3  ARG 145           HG1      ARG 145  13.117  -5.760  -0.467
  512    HD2  ARG 145           HD2      ARG 145  13.043  -8.730  -0.336
  513    HD3  ARG 145           HD1      ARG 145  14.487  -7.961  -0.993
  514    HE   ARG 145           HE       ARG 145  13.671  -8.035   1.745
  515   HH11  ARG 145          HH11      ARG 145  15.406  -6.149  -0.623
  516   HH12  ARG 145          HH12      ARG 145  16.414  -5.371   0.551
  517   HH21  ARG 145          HH21      ARG 145  14.995  -7.013   3.292
  518   HH22  ARG 145          HH22      ARG 145  16.181  -5.861   2.774
  519    H    LYS 146           HN       LYS 146  12.970  -5.517   1.837
  520    HA   LYS 146           HA       LYS 146  11.314  -3.135   2.346
  521    HB2  LYS 146           HB2      LYS 146  12.886  -4.640   4.165
  522    HB3  LYS 146           HB1      LYS 146  13.682  -3.087   3.947
  523    HG2  LYS 146           HG2      LYS 146  10.951  -2.522   4.229
  524    HG3  LYS 146           HG1      LYS 146  11.336  -3.732   5.455
  525    HD2  LYS 146           HD2      LYS 146  13.449  -2.118   5.765
  526    HD3  LYS 146           HD1      LYS 146  12.278  -0.937   5.169
  527    HE2  LYS 146           HE2      LYS 146  11.590  -0.784   7.289
  528    HE3  LYS 146           HE1      LYS 146  10.831  -2.353   7.029
  529    HZ1  LYS 146           HZ1      LYS 146  12.388  -3.410   8.250
  530    HZ2  LYS 146           HZ2      LYS 146  12.555  -1.892   8.979
  531    HZ3  LYS 146           HZ3      LYS 146  13.644  -2.378   7.780
  532    H    ARG 147           HN       ARG 147  14.835  -3.617   2.445
  533    HA   ARG 147           HA       ARG 147  15.330  -2.280  -0.015
  534    HB2  ARG 147           HB2      ARG 147  15.254  -0.691   2.492
  535    HB3  ARG 147           HB1      ARG 147  16.590  -0.375   1.394
  536    HG2  ARG 147           HG2      ARG 147  14.574  -0.305  -0.359
  537    HG3  ARG 147           HG1      ARG 147  13.709   0.197   1.096
  538    HD2  ARG 147           HD2      ARG 147  15.269   2.004   1.450
  539    HD3  ARG 147           HD1      ARG 147  16.260   1.456   0.100
  540    HE   ARG 147           HE       ARG 147  14.712   2.343  -1.385
  541   HH11  ARG 147          HH11      ARG 147  13.551   2.630   1.900
  542   HH12  ARG 147          HH12      ARG 147  12.293   3.744   1.486
  543   HH21  ARG 147          HH21      ARG 147  13.058   3.806  -1.923
  544   HH22  ARG 147          HH22      ARG 147  12.012   4.411  -0.682
  545    H    LEU 148           HN       LEU 148  17.060  -2.025   3.079
  546    HA   LEU 148           HA       LEU 148  19.032  -3.966   2.136
  547    HB2  LEU 148           HB2      LEU 148  19.922  -1.857   1.384
  548    HB3  LEU 148           HB1      LEU 148  19.661  -1.132   2.959
  549    HG   LEU 148           HG       LEU 148  21.316  -2.975   3.792
  550   HD11  LEU 148          HD11      LEU 148  21.666  -4.342   1.963
  551   HD12  LEU 148          HD12      LEU 148  23.065  -3.269   1.899
  552   HD13  LEU 148          HD13      LEU 148  21.690  -2.994   0.828
  553   HD21  LEU 148          HD21      LEU 148  21.572  -0.393   3.489
  554   HD22  LEU 148          HD22      LEU 148  22.606  -0.853   2.137
  555   HD23  LEU 148          HD23      LEU 148  22.995  -1.399   3.768
  556    H    LEU 149           HN       LEU 149  19.103  -1.602   4.785
  557    HA   LEU 149           HA       LEU 149  19.507  -1.886   7.014
  558    HB2  LEU 149           HB2      LEU 149  17.017  -2.668   6.419
  559    HB3  LEU 149           HB1      LEU 149  17.619  -4.166   7.101
  560    HG   LEU 149           HG       LEU 149  18.332  -2.769   9.125
  561   HD11  LEU 149          HD11      LEU 149  17.315  -0.670   9.475
  562   HD12  LEU 149          HD12      LEU 149  16.289  -0.844   8.051
  563   HD13  LEU 149          HD13      LEU 149  18.025  -0.601   7.862
  564   HD21  LEU 149          HD21      LEU 149  16.396  -4.337   9.028
  565   HD22  LEU 149          HD22      LEU 149  15.375  -2.971   8.579
  566   HD23  LEU 149          HD23      LEU 149  16.179  -2.993  10.148
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   6.752  10.484   2.776
    2    H2   GLY   1           HT2      GLY   1   7.279   9.249   3.805
    3    H3   GLY   1           HT3      GLY   1   8.070  10.744   3.804
    4    HA2  GLY   1           HA1      GLY   1   6.583  11.716   5.143
    5    HA3  GLY   1           HA2      GLY   1   5.241  10.910   4.346
    6    H    SER   2           HN       SER   2   5.185   8.460   4.783
    7    HA   SER   2           HA       SER   2   5.258   8.131   7.671
    8    HB2  SER   2           HB2      SER   2   4.102   6.408   5.467
    9    HB3  SER   2           HB1      SER   2   4.012   6.013   7.184
   10    HG   SER   2           HG       SER   2   2.236   7.147   7.060
   11    H    LYS   2           HN       LYS   2   5.886   5.693   5.177
   12    HA   LYS   2           HA       LYS   2   8.561   5.241   6.256
   13    HB2  LYS   2           HB2      LYS   2   6.454   3.087   6.041
   14    HB3  LYS   2           HB1      LYS   2   8.149   2.805   6.411
   15    HG2  LYS   2           HG2      LYS   2   7.563   2.949   8.548
   16    HG3  LYS   2           HG1      LYS   2   7.399   4.685   8.280
   17    HD2  LYS   2           HD2      LYS   2   5.400   3.757   9.340
   18    HD3  LYS   2           HD1      LYS   2   5.038   4.384   7.731
   19    HE2  LYS   2           HE2      LYS   2   5.734   1.726   7.306
   20    HE3  LYS   2           HE1      LYS   2   4.764   1.698   8.778
   21    HZ1  LYS   2           HZ1      LYS   2   3.691   3.345   6.660
   22    HZ2  LYS   2           HZ2      LYS   2   2.914   2.223   7.659
   23    HZ3  LYS   2           HZ3      LYS   2   3.758   1.694   6.292
   24    H    LEU   2           HN       LEU   2   7.135   6.139   3.693
   25    HA   LEU   2           HA       LEU   2   7.689   4.140   1.746
   26    HB2  LEU   2           HB2      LEU   2   6.637   6.855   1.801
   27    HB3  LEU   2           HB1      LEU   2   7.667   6.573   0.411
   28    HG   LEU   2           HG       LEU   2   6.267   4.873  -0.430
   29   HD11  LEU   2          HD11      LEU   2   5.567   4.503   2.337
   30   HD12  LEU   2          HD12      LEU   2   5.373   3.410   0.968
   31   HD13  LEU   2          HD13      LEU   2   4.123   4.595   1.331
   32   HD21  LEU   2          HD21      LEU   2   5.179   7.428   0.250
   33   HD22  LEU   2          HD22      LEU   2   3.899   6.216   0.290
   34   HD23  LEU   2          HD23      LEU   2   4.868   6.426  -1.168
   35    H    GLU   3           HN       GLU   3   9.896   3.678   2.551
   36    HA   GLU   3           HA       GLU   3  11.835   5.280   1.058
   37    HB2  GLU   3           HB2      GLU   3  13.429   4.950   3.053
   38    HB3  GLU   3           HB1      GLU   3  12.206   6.207   3.170
   39    HG2  GLU   3           HG2      GLU   3  10.784   4.618   4.445
   40    HG3  GLU   3           HG1      GLU   3  12.130   3.480   4.434
   41    H    GLY   4           HN       GLY   4  11.680   3.460  -0.397
   42    HA2  GLY   4           HA2      GLY   4  13.436   1.804  -0.997
   43    HA3  GLY   4           HA1      GLY   4  13.162   1.100   0.589
   44    H    LYS   5           HN       LYS   5  11.000   2.165  -2.037
   45    HA   LYS   5           HA       LYS   5   9.867  -0.554  -2.062
   46    HB2  LYS   5           HB2      LYS   5   8.043   1.629  -2.830
   47    HB3  LYS   5           HB1      LYS   5   7.733   0.184  -1.882
   48    HG2  LYS   5           HG2      LYS   5   7.626   1.477  -0.095
   49    HG3  LYS   5           HG1      LYS   5   9.355   1.768  -0.259
   50    HD2  LYS   5           HD2      LYS   5   7.156   3.399  -1.528
   51    HD3  LYS   5           HD1      LYS   5   8.110   3.868  -0.120
   52    HE2  LYS   5           HE2      LYS   5  10.069   4.100  -1.383
   53    HE3  LYS   5           HE1      LYS   5   9.405   3.193  -2.740
   54    HZ1  LYS   5           HZ1      LYS   5   7.864   5.526  -2.123
   55    HZ2  LYS   5           HZ2      LYS   5   8.522   5.029  -3.599
   56    HZ3  LYS   5           HZ3      LYS   5   9.468   5.905  -2.506
   57    H    THR   6           HN       THR   6   8.078  -0.183  -4.159
   58    HA   THR   6           HA       THR   6   9.748   0.687  -6.407
   59    HB   THR   6           HB       THR   6  10.091  -1.673  -6.355
   60    HG1  THR   6           HG1      THR   6   9.816  -1.408  -8.421
   61   HG21  THR   6          HG21      THR   6   8.463  -3.331  -6.178
   62   HG22  THR   6          HG22      THR   6   7.147  -2.192  -6.467
   63   HG23  THR   6          HG23      THR   6   8.032  -2.148  -4.942
   64    H    CYS   7           HN       CYS   7   8.554   1.128  -8.361
   65    HA   CYS   7           HA       CYS   7   5.712   1.709  -7.842
   66    HB2  CYS   7           HB2      CYS   7   7.113   3.324  -9.887
   67    HB3  CYS   7           HB1      CYS   7   5.900   3.808  -8.709
   68    H    GLY   8           HN       GLY   8   7.806  -0.140  -9.668
   69    HA2  GLY   8           HA2      GLY   8   6.572  -0.022 -12.224
   70    HA3  GLY   8           HA1      GLY   8   7.622  -1.303 -11.640
   71    HA   PRO   9           HA       PRO   9   4.255  -4.100 -11.187
   72    HB2  PRO   9           HB2      PRO   9   4.423  -5.025  -8.613
   73    HB3  PRO   9           HB1      PRO   9   5.490  -5.552  -9.917
   74    HG2  PRO   9           HG2      PRO   9   5.971  -3.521  -7.775
   75    HG3  PRO   9           HG1      PRO   9   7.071  -4.756  -8.417
   76    HD2  PRO   9           HD2      PRO   9   7.236  -2.170  -9.154
   77    HD3  PRO   9           HD1      PRO   9   7.602  -3.495 -10.279
   78    H    SER  10           HN       SER  10   2.598  -4.773  -9.098
   79    HA   SER  10           HA       SER  10   0.629  -2.838  -9.143
   80    HB2  SER  10           HB2      SER  10   1.170  -5.050  -7.163
   81    HB3  SER  10           HB1      SER  10  -0.262  -4.027  -7.067
   82    HG   SER  10           HG       SER  10   0.185  -6.141  -8.647
   83    H    SER  11           HN       SER  11   1.439  -0.793  -8.717
   84    HA   SER  11           HA       SER  11   1.850  -0.221  -5.875
   85    HB2  SER  11           HB2      SER  11   3.674   0.557  -8.139
   86    HB3  SER  11           HB1      SER  11   3.599   1.514  -6.660
   87    HG   SER  11           HG       SER  11   5.029   0.102  -6.014
   88    H    PHE  12           HN       PHE  12   1.900   2.290  -5.602
   89    HA   PHE  12           HA       PHE  12   0.068   3.623  -7.440
   90    HB2  PHE  12           HB2      PHE  12  -1.492   2.702  -5.897
   91    HB3  PHE  12           HB1      PHE  12  -0.481   3.114  -4.518
   92    HD1  PHE  12           HD1      PHE  12  -2.180   4.824  -7.370
   93    HD2  PHE  12           HD2      PHE  12  -1.122   4.906  -3.248
   94    HE1  PHE  12           HE1      PHE  12  -3.422   6.930  -7.097
   95    HE2  PHE  12           HE2      PHE  12  -2.364   7.011  -2.967
   96    HZ   PHE  12           HZ       PHE  12  -3.516   8.025  -4.893
   97    H    SER  13           HN       SER  13   1.056   5.463  -7.947
   98    HA   SER  13           HA       SER  13   3.162   6.603  -6.473
   99    HB2  SER  13           HB2      SER  13   2.759   6.948  -8.920
  100    HB3  SER  13           HB1      SER  13   1.408   8.000  -8.501
  101    HG   SER  13           HG       SER  13   4.139   8.384  -7.839
  102    H    CYS  14           HN       CYS  14   3.028   7.584  -4.561
  103    HA   CYS  14           HA       CYS  14   0.689   8.332  -3.285
  104    HB2  CYS  14           HB2      CYS  14   3.560   8.740  -2.828
  105    HB3  CYS  14           HB1      CYS  14   2.539   9.977  -2.108
  106    HA   PRO  15           HA       PRO  15  -0.458  11.849  -5.865
  107    HB2  PRO  15           HB2      PRO  15  -2.336  12.130  -3.565
  108    HB3  PRO  15           HB1      PRO  15  -2.665  12.187  -5.299
  109    HG2  PRO  15           HG2      PRO  15  -3.287  10.028  -3.888
  110    HG3  PRO  15           HG1      PRO  15  -2.613   9.878  -5.521
  111    HD2  PRO  15           HD2      PRO  15  -1.294   9.440  -2.880
  112    HD3  PRO  15           HD1      PRO  15  -1.057   8.583  -4.414
  113    H    GLY  16           HN       GLY  16   0.330  13.861  -5.835
  114    HA2  GLY  16           HA2      GLY  16   0.889  15.951  -4.974
  115    HA3  GLY  16           HA1      GLY  16   0.512  15.362  -3.363
  116    H    THR  17           HN       THR  17   2.433  13.014  -4.429
  117    HA   THR  17           HA       THR  17   4.961  14.412  -3.974
  118    HB   THR  17           HB       THR  17   5.623  12.578  -2.366
  119    HG1  THR  17           HG1      THR  17   2.825  12.142  -2.260
  120   HG21  THR  17          HG21      THR  17   3.965  13.452  -0.517
  121   HG22  THR  17          HG22      THR  17   3.610  14.661  -1.752
  122   HG23  THR  17          HG23      THR  17   5.260  14.463  -1.159
  123    H    HIS  18           HN       HIS  18   6.650  13.596  -5.085
  124    HA   HIS  18           HA       HIS  18   6.264  11.921  -7.270
  125    HB2  HIS  18           HB2      HIS  18   8.791  11.741  -7.272
  126    HB3  HIS  18           HB1      HIS  18   8.149  13.381  -7.262
  127    HD1  HIS  18           HD1      HIS  18  10.207  11.022  -5.253
  128    HD2  HIS  18           HD2      HIS  18   8.470  14.772  -4.827
  129    HE1  HIS  18           HE1      HIS  18  11.264  12.067  -3.207
  130    H    VAL  19           HN       VAL  19   6.815  11.150  -3.962
  131    HA   VAL  19           HA       VAL  19   7.988   8.635  -4.121
  132    HB   VAL  19           HB       VAL  19   7.721   9.828  -2.018
  133   HG11  VAL  19          HG11      VAL  19   5.055  10.124  -2.851
  134   HG12  VAL  19          HG12      VAL  19   5.803  10.733  -1.375
  135   HG13  VAL  19          HG13      VAL  19   5.011   9.158  -1.376
  136   HG21  VAL  19          HG21      VAL  19   8.088   7.494  -1.782
  137   HG22  VAL  19          HG22      VAL  19   6.400   7.125  -2.138
  138   HG23  VAL  19          HG23      VAL  19   6.827   7.931  -0.630
  139    H    CYS  20           HN       CYS  20   7.177   6.544  -4.194
  140    HA   CYS  20           HA       CYS  20   4.387   6.290  -5.101
  141    HB2  CYS  20           HB2      CYS  20   5.046   4.509  -6.591
  142    HB3  CYS  20           HB1      CYS  20   6.058   5.912  -6.917
  143    H    VAL  21           HN       VAL  21   3.131   4.985  -3.932
  144    HA   VAL  21           HA       VAL  21   4.436   3.223  -1.975
  145    HB   VAL  21           HB       VAL  21   3.030   4.920  -0.951
  146   HG11  VAL  21          HG11      VAL  21   0.587   4.907  -1.298
  147   HG12  VAL  21          HG12      VAL  21   0.805   3.744  -2.606
  148   HG13  VAL  21          HG13      VAL  21   1.485   5.366  -2.745
  149   HG21  VAL  21          HG21      VAL  21   1.762   3.514   0.488
  150   HG22  VAL  21          HG22      VAL  21   3.201   2.614   0.005
  151   HG23  VAL  21          HG23      VAL  21   1.645   2.260  -0.747
  152    HA   PRO  22           HA       PRO  22   3.151  -0.297  -4.381
  153    HB2  PRO  22           HB2      PRO  22   3.165  -1.589  -1.696
  154    HB3  PRO  22           HB1      PRO  22   3.944  -2.100  -3.198
  155    HG2  PRO  22           HG2      PRO  22   5.388  -1.013  -1.259
  156    HG3  PRO  22           HG1      PRO  22   5.700  -0.591  -2.952
  157    HD2  PRO  22           HD2      PRO  22   4.272   0.970  -0.840
  158    HD3  PRO  22           HD1      PRO  22   5.384   1.535  -2.105
  159    H    GLU  23           HN       GLU  23   1.343  -1.662  -4.653
  160    HA   GLU  23           HA       GLU  23  -1.121  -0.549  -3.851
  161    HB2  GLU  23           HB2      GLU  23  -0.298  -2.337  -5.785
  162    HB3  GLU  23           HB1      GLU  23  -1.279  -3.333  -4.720
  163    HG2  GLU  23           HG2      GLU  23  -3.198  -2.155  -5.163
  164    HG3  GLU  23           HG1      GLU  23  -2.323  -0.695  -5.622
  165    H    ARG  24           HN       ARG  24   0.732  -3.315  -2.643
  166    HA   ARG  24           HA       ARG  24  -1.297  -4.312  -0.953
  167    HB2  ARG  24           HB2      ARG  24   0.662  -5.654  -1.516
  168    HB3  ARG  24           HB1      ARG  24   1.703  -4.522  -0.668
  169    HG2  ARG  24           HG2      ARG  24  -0.432  -5.488   1.020
  170    HG3  ARG  24           HG1      ARG  24   0.533  -6.805   0.360
  171    HD2  ARG  24           HD2      ARG  24   2.568  -5.683   1.156
  172    HD3  ARG  24           HD1      ARG  24   1.574  -4.404   1.851
  173    HE   ARG  24           HE       ARG  24   2.104  -6.960   2.985
  174   HH11  ARG  24          HH11      ARG  24  -0.346  -4.486   2.731
  175   HH12  ARG  24          HH12      ARG  24  -1.109  -4.914   4.226
  176   HH21  ARG  24          HH21      ARG  24   1.097  -7.525   4.949
  177   HH22  ARG  24          HH22      ARG  24  -0.291  -6.638   5.484
  178    H    TRP  25           HN       TRP  25   0.904  -1.663  -0.702
  179    HA   TRP  25           HA       TRP  25   0.629  -1.327   2.135
  180    HB2  TRP  25           HB2      TRP  25   1.734   0.463  -0.036
  181    HB3  TRP  25           HB1      TRP  25   1.767   0.876   1.677
  182    HD1  TRP  25           HD1      TRP  25   2.435  -2.743   0.766
  183    HE1  TRP  25           HE1      TRP  25   4.917  -3.279   1.167
  184    HE3  TRP  25           HE3      TRP  25   4.163   1.990   1.637
  185    HZ2  TRP  25           HZ2      TRP  25   7.297  -1.889   1.767
  186    HZ3  TRP  25           HZ3      TRP  25   6.556   2.298   2.117
  187    HH2  TRP  25           HH2      TRP  25   8.089   0.399   2.181
  188    H    LEU  26           HN       LEU  26  -1.004  -0.252  -0.735
  189    HA   LEU  26           HA       LEU  26  -2.351   1.996  -0.081
  190    HB2  LEU  26           HB2      LEU  26  -2.733  -0.185  -1.850
  191    HB3  LEU  26           HB1      LEU  26  -4.284   0.202  -1.146
  192    HG   LEU  26           HG       LEU  26  -4.271   2.375  -2.062
  193   HD11  LEU  26          HD11      LEU  26  -2.216   3.324  -1.725
  194   HD12  LEU  26          HD12      LEU  26  -2.149   3.014  -3.459
  195   HD13  LEU  26          HD13      LEU  26  -1.343   1.919  -2.337
  196   HD21  LEU  26          HD21      LEU  26  -3.795   1.951  -4.485
  197   HD22  LEU  26          HD22      LEU  26  -4.839   0.759  -3.709
  198   HD23  LEU  26          HD23      LEU  26  -3.142   0.382  -4.011
  199    H    CYS  27           HN       CYS  27  -3.699  -1.230   0.591
  200    HA   CYS  27           HA       CYS  27  -5.230  -0.028   2.801
  201    HB2  CYS  27           HB2      CYS  27  -5.837  -2.656   1.453
  202    HB3  CYS  27           HB1      CYS  27  -6.891  -1.692   2.480
  203    H    ASP  28           HN       ASP  28  -2.693  -0.535   3.500
  204    HA   ASP  28           HA       ASP  28  -2.479  -3.203   4.609
  205    HB2  ASP  28           HB2      ASP  28  -0.256  -2.680   5.136
  206    HB3  ASP  28           HB1      ASP  28  -0.544  -1.803   3.639
  207    H    GLY  29           HN       GLY  29  -3.499  -0.061   5.611
  208    HA2  GLY  29           HA2      GLY  29  -4.962  -0.035   7.582
  209    HA3  GLY  29           HA1      GLY  29  -3.790  -1.078   8.366
  210    H    ASP  30           HN       ASP  30  -2.517   1.458   6.428
  211    HA   ASP  30           HA       ASP  30  -2.433   3.431   8.513
  212    HB2  ASP  30           HB2      ASP  30  -0.019   1.744   7.902
  213    HB3  ASP  30           HB1      ASP  30   0.156   3.395   8.488
  214    H    LYS  31           HN       LYS  31  -2.186   5.416   7.659
  215    HA   LYS  31           HA       LYS  31  -2.110   5.736   4.845
  216    HB2  LYS  31           HB2      LYS  31  -1.887   7.722   7.104
  217    HB3  LYS  31           HB1      LYS  31  -1.928   8.192   5.417
  218    HG2  LYS  31           HG2      LYS  31  -4.130   7.245   5.158
  219    HG3  LYS  31           HG1      LYS  31  -4.088   6.628   6.810
  220    HD2  LYS  31           HD2      LYS  31  -4.362   8.716   7.740
  221    HD3  LYS  31           HD1      LYS  31  -3.684   9.545   6.338
  222    HE2  LYS  31           HE2      LYS  31  -5.844  10.036   5.919
  223    HE3  LYS  31           HE1      LYS  31  -5.857   8.419   5.217
  224    HZ1  LYS  31           HZ1      LYS  31  -7.717   8.842   6.758
  225    HZ2  LYS  31           HZ2      LYS  31  -6.610   9.028   8.023
  226    HZ3  LYS  31           HZ3      LYS  31  -6.752   7.537   7.237
  227    H    ASP  32           HN       ASP  32  -0.308   5.210   3.765
  228    HA   ASP  32           HA       ASP  32   2.317   5.745   4.829
  229    HB2  ASP  32           HB2      ASP  32   1.222   4.051   2.823
  230    HB3  ASP  32           HB1      ASP  32   2.421   5.081   2.050
  231    H    CYS  33           HN       CYS  33   0.204   7.083   2.351
  232    HA   CYS  33           HA       CYS  33   2.105   8.883   1.256
  233    HB2  CYS  33           HB2      CYS  33  -0.906   8.761   1.190
  234    HB3  CYS  33           HB1      CYS  33  -0.017  10.064   0.415
  235    H    ALA  34           HN       ALA  34   1.239  11.344   1.229
  236    HA   ALA  34           HA       ALA  34   1.794  12.304   3.869
  237    HB1  ALA  34           HB1      ALA  34   2.605  13.369   1.758
  238    HB2  ALA  34           HB2      ALA  34   1.830  14.478   2.890
  239    HB3  ALA  34           HB3      ALA  34   0.953  13.912   1.468
  240    H    ASP  35           HN       ASP  35  -1.052  11.949   1.866
  241    HA   ASP  35           HA       ASP  35  -2.678  13.014   4.082
  242    HB2  ASP  35           HB2      ASP  35  -2.856  13.489   1.145
  243    HB3  ASP  35           HB1      ASP  35  -4.360  13.395   2.056
  244    H    GLY  36           HN       GLY  36  -1.822  10.269   3.656
  245    HA2  GLY  36           HA2      GLY  36  -2.723   8.161   3.776
  246    HA3  GLY  36           HA1      GLY  36  -4.245   8.947   4.157
  247    H    ALA  37           HN       ALA  37  -2.783   9.791   1.158
  248    HA   ALA  37           HA       ALA  37  -4.959   9.026  -0.395
  249    HB1  ALA  37           HB1      ALA  37  -3.083   9.022  -2.260
  250    HB2  ALA  37           HB2      ALA  37  -2.142   9.769  -0.968
  251    HB3  ALA  37           HB3      ALA  37  -3.645  10.517  -1.512
  252    H    ASP  38           HN       ASP  38  -2.127   7.256   0.609
  253    HA   ASP  38           HA       ASP  38  -2.291   5.075  -1.148
  254    HB2  ASP  38           HB2      ASP  38  -0.325   5.553   0.263
  255    HB3  ASP  38           HB1      ASP  38  -1.266   5.168   1.690
  256    H    GLU  39           HN       GLU  39  -3.777   5.700   2.001
  257    HA   GLU  39           HA       GLU  39  -5.254   3.180   1.834
  258    HB2  GLU  39           HB2      GLU  39  -5.444   5.139   4.102
  259    HB3  GLU  39           HB1      GLU  39  -5.761   3.412   4.117
  260    HG2  GLU  39           HG2      GLU  39  -3.005   4.339   3.498
  261    HG3  GLU  39           HG1      GLU  39  -3.573   4.419   5.163
  262    H    SER  40           HN       SER  40  -5.655   6.002   0.451
  263    HA   SER  40           HA       SER  40  -8.494   6.324   1.114
  264    HB2  SER  40           HB2      SER  40  -6.660   8.103  -0.509
  265    HB3  SER  40           HB1      SER  40  -8.346   8.449  -0.128
  266    HG   SER  40           HG       SER  40  -6.420   9.248   1.273
  267    H    ILE  41           HN       ILE  41 -10.068   6.409  -0.546
  268    HA   ILE  41           HA       ILE  41  -9.954   4.377  -2.414
  269    HB   ILE  41           HB       ILE  41 -12.012   5.548  -1.588
  270   HG12  ILE  41          HG12      ILE  41 -13.120   5.436  -3.939
  271   HG13  ILE  41          HG11      ILE  41 -11.532   4.903  -4.472
  272   HG21  ILE  41          HG21      ILE  41 -11.403   7.524  -3.778
  273   HG22  ILE  41          HG22      ILE  41 -11.202   7.848  -2.055
  274   HG23  ILE  41          HG23      ILE  41 -12.807   7.515  -2.709
  275   HD11  ILE  41          HD11      ILE  41 -12.448   3.467  -2.129
  276   HD12  ILE  41          HD12      ILE  41 -11.848   2.858  -3.672
  277   HD13  ILE  41          HD13      ILE  41 -13.545   3.308  -3.501
  278    H    ALA  42           HN       ALA  42  -8.759   7.622  -2.633
  279    HA   ALA  42           HA       ALA  42  -8.670   8.097  -5.348
  280    HB1  ALA  42           HB1      ALA  42  -7.273   9.802  -4.840
  281    HB2  ALA  42           HB2      ALA  42  -6.222   8.789  -3.850
  282    HB3  ALA  42           HB3      ALA  42  -7.740   9.397  -3.188
  283    H    ALA  43           HN       ALA  43  -6.852   5.841  -3.449
  284    HA   ALA  43           HA       ALA  43  -4.982   5.271  -5.613
  285    HB1  ALA  43           HB1      ALA  43  -4.362   5.401  -3.130
  286    HB2  ALA  43           HB2      ALA  43  -3.739   4.038  -4.061
  287    HB3  ALA  43           HB3      ALA  43  -5.126   3.818  -2.994
  288    H    GLY  44           HN       GLY  44  -7.882   4.037  -4.182
  289    HA2  GLY  44           HA2      GLY  44  -9.259   2.553  -5.515
  290    HA3  GLY  44           HA1      GLY  44  -7.784   1.760  -6.056
  291    H    CYS  45           HN       CYS  45  -8.616   2.710  -2.765
  292    HA   CYS  45           HA       CYS  45  -8.010   0.068  -1.807
  293    HB2  CYS  45           HB2      CYS  45  -7.499   2.294  -0.632
  294    HB3  CYS  45           HB1      CYS  45  -9.198   2.302  -0.172
  295    H    LEU  46           HN       LEU  46 -10.700   1.227  -3.260
  296    HA   LEU  46           HA       LEU  46 -12.848   0.507  -3.416
  297    HB2  LEU  46           HB2      LEU  46 -12.106  -1.728  -1.546
  298    HB3  LEU  46           HB1      LEU  46 -13.396  -1.704  -2.731
  299    HG   LEU  46           HG       LEU  46 -11.896  -3.002  -3.849
  300   HD11  LEU  46          HD11      LEU  46 -10.589  -0.419  -4.618
  301   HD12  LEU  46          HD12      LEU  46 -12.258  -0.772  -5.065
  302   HD13  LEU  46          HD13      LEU  46 -10.955  -1.823  -5.620
  303   HD21  LEU  46          HD21      LEU  46  -9.795  -3.354  -3.188
  304   HD22  LEU  46          HD22      LEU  46 -10.169  -2.261  -1.856
  305   HD23  LEU  46          HD23      LEU  46  -9.373  -1.646  -3.304
  306    H    TYR  47           HN       TYR  47 -11.720   2.038  -0.940
  307    HA   TYR  47           HA       TYR  47 -14.146   2.700   0.231
  308    HB2  TYR  47           HB2      TYR  47 -13.983   1.617   2.436
  309    HB3  TYR  47           HB1      TYR  47 -14.161   0.429   1.151
  310    HD1  TYR  47           HD1      TYR  47 -11.526   2.132   3.168
  311    HD2  TYR  47           HD2      TYR  47 -12.701  -1.376   1.068
  312    HE1  TYR  47           HE1      TYR  47  -9.495   0.993   3.950
  313    HE2  TYR  47           HE2      TYR  47 -10.678  -2.529   1.851
  314    HH   TYR  47           HH       TYR  47  -9.059  -2.079   4.105
  315    H    ASN  48           HN       ASN  48 -13.917   4.158   2.049
  316    HA   ASN  48           HA       ASN  48 -11.612   4.862   3.366
  317    HB2  ASN  48           HB2      ASN  48 -10.573   5.369   1.228
  318    HB3  ASN  48           HB1      ASN  48 -11.916   6.415   0.789
  319   HD21  ASN  48          HD21      ASN  48 -11.853   8.496   1.360
  320   HD22  ASN  48          HD22      ASN  48 -10.637   9.211   2.358
  321    H    SER  49           HN       SER  49 -14.485   6.039   1.735
  322    HA   SER  49           HA       SER  49 -14.902   8.384   3.207
  323    HB2  SER  49           HB2      SER  49 -16.380   6.767   1.323
  324    HB3  SER  49           HB1      SER  49 -17.444   7.339   2.608
  325    HG   SER  49           HG       SER  49 -15.957   8.808   0.734
  326    H    THR  50           HN       THR  50 -16.417   5.185   3.673
  327    HA   THR  50           HA       THR  50 -17.812   5.731   5.993
  328    HB   THR  50           HB       THR  50 -17.750   3.312   6.431
  329    HG1  THR  50           HG1      THR  50 -16.486   1.996   5.069
  330   HG21  THR  50          HG21      THR  50 -18.509   2.473   4.215
  331   HG22  THR  50          HG22      THR  50 -18.072   4.040   3.536
  332   HG23  THR  50          HG23      THR  50 -19.328   3.933   4.769
  333    H    GLY  51           HN       GLY  51 -14.903   3.696   6.138
  334    HA2  GLY  51           HA2      GLY  51 -12.988   4.686   7.462
  335    HA3  GLY  51           HA1      GLY  51 -14.214   5.061   8.664
  336    H    SER  52           HN       SER  52 -12.975   2.285   6.807
  337    HA   SER  52           HA       SER  52 -12.707   0.762   9.256
  338    HB2  SER  52           HB2      SER  52 -14.916   0.093   8.885
  339    HB3  SER  52           HB1      SER  52 -14.725   0.094   7.132
  340    HG   SER  52           HG       SER  52 -14.192  -1.884   8.960
  341    H    GLY  53           HN       GLY  53 -11.623  -1.340   8.877
  342    HA2  GLY  53           HA2      GLY  53  -9.372  -1.028   7.211
  343    HA3  GLY  53           HA1      GLY  53  -9.842  -2.512   8.026
  344    H    SER  54           HN       SER  54  -9.395  -3.903   6.356
  345    HA   SER  54           HA       SER  54 -10.496  -3.421   3.722
  346    HB2  SER  54           HB2      SER  54  -8.351  -4.435   3.700
  347    HB3  SER  54           HB1      SER  54  -8.823  -5.637   4.901
  348    HG   SER  54           HG       SER  54 -10.135  -6.611   3.364
  349    H    GLY  55           HN       GLY  55 -12.653  -3.399   5.148
  350    HA2  GLY  55           HA2      GLY  55 -13.753  -6.128   5.206
  351    HA3  GLY  55           HA1      GLY  55 -14.413  -4.751   6.074
  352    H    SER  56           HN       SER  56 -13.432  -4.216   2.813
  353    HA   SER  56           HA       SER  56 -16.246  -3.949   2.058
  354    HB2  SER  56           HB2      SER  56 -13.786  -2.964   0.588
  355    HB3  SER  56           HB1      SER  56 -15.462  -2.573   0.207
  356    HG   SER  56           HG       SER  56 -15.502  -1.732   2.466
  357    H    GLY  57           HN       GLY  57 -14.899  -6.550   2.240
  358    HA2  GLY  57           HA2      GLY  57 -15.659  -8.391   0.851
  359    HA3  GLY  57           HA1      GLY  57 -15.321  -7.394  -0.555
  360    H    SER 129           HN       SER 129 -14.345  -9.918  -0.503
  361    HA   SER 129           HA       SER 129 -11.748 -10.167   0.600
  362    HB2  SER 129           HB2      SER 129 -13.252 -11.631  -1.553
  363    HB3  SER 129           HB1      SER 129 -11.555 -11.992  -1.237
  364    HG   SER 129           HG       SER 129 -13.514 -11.981   0.805
  365    H    THR 130           HN       THR 130 -12.989  -8.913  -2.417
  366    HA   THR 130           HA       THR 130 -10.785  -8.813  -4.034
  367    HB   THR 130           HB       THR 130 -12.666  -6.483  -3.668
  368    HG1  THR 130           HG1      THR 130 -14.007  -7.603  -5.156
  369   HG21  THR 130          HG21      THR 130 -10.965  -7.460  -5.910
  370   HG22  THR 130          HG22      THR 130 -11.175  -5.822  -5.284
  371   HG23  THR 130          HG23      THR 130 -12.452  -6.571  -6.244
  372    H    GLU 131           HN       GLU 131 -11.560  -6.774  -1.292
  373    HA   GLU 131           HA       GLU 131  -9.617  -4.800  -1.582
  374    HB2  GLU 131           HB2      GLU 131 -11.033  -5.978   0.789
  375    HB3  GLU 131           HB1      GLU 131  -9.806  -4.735   1.005
  376    HG2  GLU 131           HG2      GLU 131 -12.001  -3.744   0.973
  377    HG3  GLU 131           HG1      GLU 131 -11.091  -3.239  -0.450
  378    H    GLU 132           HN       GLU 132  -9.462  -7.913   0.116
  379    HA   GLU 132           HA       GLU 132  -6.706  -7.565   0.855
  380    HB2  GLU 132           HB2      GLU 132  -8.096 -10.223   0.834
  381    HB3  GLU 132           HB1      GLU 132  -6.880  -9.618   1.952
  382    HG2  GLU 132           HG2      GLU 132  -8.624  -7.976   2.753
  383    HG3  GLU 132           HG1      GLU 132  -9.793  -8.911   1.823
  384    H    LEU 133           HN       LEU 133  -8.482  -9.041  -1.745
  385    HA   LEU 133           HA       LEU 133  -6.608 -10.767  -2.827
  386    HB2  LEU 133           HB2      LEU 133  -8.940  -9.269  -3.806
  387    HB3  LEU 133           HB1      LEU 133  -7.797  -9.733  -5.052
  388    HG   LEU 133           HG       LEU 133  -8.071 -12.059  -4.542
  389   HD11  LEU 133          HD11      LEU 133  -8.268 -11.697  -2.059
  390   HD12  LEU 133          HD12      LEU 133  -9.348 -12.914  -2.739
  391   HD13  LEU 133          HD13      LEU 133  -9.968 -11.315  -2.330
  392   HD21  LEU 133          HD21      LEU 133 -10.828 -11.892  -4.483
  393   HD22  LEU 133          HD22      LEU 133  -9.811 -11.865  -5.923
  394   HD23  LEU 133          HD23      LEU 133 -10.332 -10.350  -5.184
  395    H    ARG 134           HN       ARG 134  -7.026  -7.295  -3.414
  396    HA   ARG 134           HA       ARG 134  -4.792  -7.141  -5.207
  397    HB2  ARG 134           HB2      ARG 134  -5.213  -4.750  -5.215
  398    HB3  ARG 134           HB1      ARG 134  -6.731  -5.623  -5.376
  399    HG2  ARG 134           HG2      ARG 134  -7.238  -5.237  -3.041
  400    HG3  ARG 134           HG1      ARG 134  -5.683  -4.436  -2.815
  401    HD2  ARG 134           HD2      ARG 134  -7.998  -3.510  -4.505
  402    HD3  ARG 134           HD1      ARG 134  -7.364  -2.752  -3.047
  403    HE   ARG 134           HE       ARG 134  -5.626  -1.855  -4.281
  404   HH11  ARG 134          HH11      ARG 134  -7.492  -4.049  -6.261
  405   HH12  ARG 134          HH12      ARG 134  -6.773  -3.515  -7.742
  406   HH21  ARG 134          HH21      ARG 134  -4.687  -1.158  -6.230
  407   HH22  ARG 134          HH22      ARG 134  -5.182  -1.878  -7.725
  408    H    VAL 135           HN       VAL 135  -5.270  -6.825  -1.784
  409    HA   VAL 135           HA       VAL 135  -2.709  -5.514  -1.389
  410    HB   VAL 135           HB       VAL 135  -4.766  -6.457   0.610
  411   HG11  VAL 135          HG11      VAL 135  -2.229  -4.885   1.003
  412   HG12  VAL 135          HG12      VAL 135  -2.632  -6.456   1.694
  413   HG13  VAL 135          HG13      VAL 135  -3.507  -5.015   2.209
  414   HG21  VAL 135          HG21      VAL 135  -5.833  -4.543   0.248
  415   HG22  VAL 135          HG22      VAL 135  -4.734  -4.222  -1.093
  416   HG23  VAL 135          HG23      VAL 135  -4.354  -3.622   0.520
  417    H    ARG 136           HN       ARG 136  -3.789  -8.685  -1.739
  418    HA   ARG 136           HA       ARG 136  -1.912  -9.880   0.108
  419    HB2  ARG 136           HB2      ARG 136  -4.187 -10.757  -1.464
  420    HB3  ARG 136           HB1      ARG 136  -2.839 -11.877  -1.606
  421    HG2  ARG 136           HG2      ARG 136  -3.185 -12.685   0.429
  422    HG3  ARG 136           HG1      ARG 136  -3.248 -11.070   1.137
  423    HD2  ARG 136           HD2      ARG 136  -5.601 -10.888   0.332
  424    HD3  ARG 136           HD1      ARG 136  -5.508 -12.571  -0.182
  425    HE   ARG 136           HE       ARG 136  -5.805 -11.587   2.505
  426   HH11  ARG 136          HH11      ARG 136  -4.768 -14.273   0.533
  427   HH12  ARG 136          HH12      ARG 136  -4.981 -15.442   1.793
  428   HH21  ARG 136          HH21      ARG 136  -6.084 -13.124   4.164
  429   HH22  ARG 136          HH22      ARG 136  -5.728 -14.790   3.853
  430    H    LEU 137           HN       LEU 137  -2.357 -10.121  -3.432
  431    HA   LEU 137           HA       LEU 137  -0.016 -11.439  -4.037
  432    HB2  LEU 137           HB2      LEU 137  -1.584 -11.212  -5.761
  433    HB3  LEU 137           HB1      LEU 137  -1.674  -9.472  -5.577
  434    HG   LEU 137           HG       LEU 137  -0.471 -10.461  -7.644
  435   HD11  LEU 137          HD11      LEU 137   1.331  -8.509  -6.385
  436   HD12  LEU 137          HD12      LEU 137  -0.374  -8.059  -6.420
  437   HD13  LEU 137          HD13      LEU 137   0.469  -8.439  -7.923
  438   HD21  LEU 137          HD21      LEU 137   1.532 -11.454  -7.437
  439   HD22  LEU 137          HD22      LEU 137   1.008 -11.783  -5.785
  440   HD23  LEU 137          HD23      LEU 137   2.038 -10.390  -6.123
  441    H    ALA 138           HN       ALA 138  -0.498  -7.905  -4.022
  442    HA   ALA 138           HA       ALA 138   2.095  -7.185  -4.708
  443    HB1  ALA 138           HB1      ALA 138   1.447  -5.063  -3.286
  444    HB2  ALA 138           HB2      ALA 138  -0.149  -5.813  -3.339
  445    HB3  ALA 138           HB3      ALA 138   0.687  -5.409  -4.840
  446    H    SER 139           HN       SER 139   1.020  -8.615  -1.801
  447    HA   SER 139           HA       SER 139   3.129  -7.516  -0.159
  448    HB2  SER 139           HB2      SER 139   1.634  -8.066   1.417
  449    HB3  SER 139           HB1      SER 139   0.701  -9.028   0.275
  450    HG   SER 139           HG       SER 139   2.505  -9.820   2.180
  451    H    HIS 140           HN       HIS 140   3.080  -9.793  -2.555
  452    HA   HIS 140           HA       HIS 140   4.390 -12.012  -1.649
  453    HB2  HIS 140           HB2      HIS 140   5.455 -12.106  -3.951
  454    HB3  HIS 140           HB1      HIS 140   3.701 -12.007  -3.900
  455    HD1  HIS 140           HD1      HIS 140   5.008 -11.195  -6.483
  456    HD2  HIS 140           HD2      HIS 140   4.335  -8.522  -3.381
  457    HE1  HIS 140           HE1      HIS 140   4.965  -8.891  -7.524
  458    H    LEU 141           HN       LEU 141   5.818  -8.834  -2.236
  459    HA   LEU 141           HA       LEU 141   8.251  -9.803  -0.917
  460    HB2  LEU 141           HB2      LEU 141   8.772  -9.910  -3.262
  461    HB3  LEU 141           HB1      LEU 141   8.171  -8.281  -3.516
  462    HG   LEU 141           HG       LEU 141  10.156  -8.014  -1.561
  463   HD11  LEU 141          HD11      LEU 141  12.054  -9.152  -2.290
  464   HD12  LEU 141          HD12      LEU 141  11.303  -9.619  -3.817
  465   HD13  LEU 141          HD13      LEU 141  10.780 -10.372  -2.309
  466   HD21  LEU 141          HD21      LEU 141  11.408  -7.186  -3.777
  467   HD22  LEU 141          HD22      LEU 141  10.115  -6.272  -3.001
  468   HD23  LEU 141          HD23      LEU 141   9.760  -7.288  -4.398
  469    H    ARG 142           HN       ARG 142   6.694  -6.905  -2.258
  470    HA   ARG 142           HA       ARG 142   7.904  -4.823  -1.208
  471    HB2  ARG 142           HB2      ARG 142   5.086  -5.449  -1.663
  472    HB3  ARG 142           HB1      ARG 142   5.330  -4.162  -0.494
  473    HG2  ARG 142           HG2      ARG 142   5.081  -3.622  -3.028
  474    HG3  ARG 142           HG1      ARG 142   6.241  -2.737  -2.040
  475    HD2  ARG 142           HD2      ARG 142   7.234  -5.204  -3.321
  476    HD3  ARG 142           HD1      ARG 142   6.840  -3.873  -4.408
  477    HE   ARG 142           HE       ARG 142   8.376  -2.813  -2.358
  478   HH11  ARG 142          HH11      ARG 142   8.755  -5.168  -4.906
  479   HH12  ARG 142          HH12      ARG 142  10.454  -4.887  -5.083
  480   HH21  ARG 142          HH21      ARG 142  10.611  -2.442  -2.591
  481   HH22  ARG 142          HH22      ARG 142  11.508  -3.340  -3.769
  482    H    LYS 143           HN       LYS 143   5.220  -6.004   0.825
  483    HA   LYS 143           HA       LYS 143   6.494  -4.888   3.155
  484    HB2  LYS 143           HB2      LYS 143   3.867  -6.117   2.540
  485    HB3  LYS 143           HB1      LYS 143   4.414  -6.203   4.209
  486    HG2  LYS 143           HG2      LYS 143   4.814  -3.559   3.163
  487    HG3  LYS 143           HG1      LYS 143   3.140  -4.064   2.944
  488    HD2  LYS 143           HD2      LYS 143   3.377  -4.851   5.432
  489    HD3  LYS 143           HD1      LYS 143   4.701  -3.683   5.454
  490    HE2  LYS 143           HE2      LYS 143   2.963  -2.069   4.405
  491    HE3  LYS 143           HE1      LYS 143   1.774  -3.223   5.011
  492    HZ1  LYS 143           HZ1      LYS 143   2.178  -2.656   7.147
  493    HZ2  LYS 143           HZ2      LYS 143   2.652  -1.192   6.446
  494    HZ3  LYS 143           HZ3      LYS 143   3.819  -2.333   6.889
  495    H    LEU 144           HN       LEU 144   6.110  -8.065   1.752
  496    HA   LEU 144           HA       LEU 144   6.685  -9.632   3.990
  497    HB2  LEU 144           HB2      LEU 144   6.456 -10.009   1.164
  498    HB3  LEU 144           HB1      LEU 144   7.883 -10.854   1.731
  499    HG   LEU 144           HG       LEU 144   6.377 -11.906   3.500
  500   HD11  LEU 144          HD11      LEU 144   4.073 -11.483   1.714
  501   HD12  LEU 144          HD12      LEU 144   4.545 -10.105   2.707
  502   HD13  LEU 144          HD13      LEU 144   4.139 -11.643   3.469
  503   HD21  LEU 144          HD21      LEU 144   5.252 -13.331   1.527
  504   HD22  LEU 144          HD22      LEU 144   6.951 -13.477   1.980
  505   HD23  LEU 144          HD23      LEU 144   6.488 -12.473   0.607
  506    H    ARG 145           HN       ARG 145   8.759  -7.734   1.933
  507    HA   ARG 145           HA       ARG 145  11.149  -8.875   3.155
  508    HB2  ARG 145           HB2      ARG 145  10.799  -8.269   0.622
  509    HB3  ARG 145           HB1      ARG 145  11.253  -6.657   1.149
  510    HG2  ARG 145           HG2      ARG 145  12.957  -8.976   1.920
  511    HG3  ARG 145           HG1      ARG 145  13.051  -8.333   0.281
  512    HD2  ARG 145           HD2      ARG 145  13.379  -6.684   2.781
  513    HD3  ARG 145           HD1      ARG 145  14.718  -7.361   1.856
  514    HE   ARG 145           HE       ARG 145  12.915  -5.738   0.304
  515   HH11  ARG 145          HH11      ARG 145  15.758  -5.742   2.327
  516   HH12  ARG 145          HH12      ARG 145  16.385  -4.271   1.664
  517   HH21  ARG 145          HH21      ARG 145  13.739  -3.803  -0.570
  518   HH22  ARG 145          HH22      ARG 145  15.239  -3.169   0.020
  519    H    LYS 146           HN       LYS 146  11.501  -5.566   2.278
  520    HA   LYS 146           HA       LYS 146  12.003  -3.722   3.502
  521    HB2  LYS 146           HB2      LYS 146   9.499  -4.054   3.937
  522    HB3  LYS 146           HB1      LYS 146   9.975  -4.690   5.502
  523    HG2  LYS 146           HG2      LYS 146   9.309  -2.285   5.494
  524    HG3  LYS 146           HG1      LYS 146  10.904  -2.613   6.165
  525    HD2  LYS 146           HD2      LYS 146  10.923  -0.639   4.719
  526    HD3  LYS 146           HD1      LYS 146  11.945  -1.923   4.072
  527    HE2  LYS 146           HE2      LYS 146   9.437  -2.389   2.961
  528    HE3  LYS 146           HE1      LYS 146   9.625  -0.638   2.917
  529    HZ1  LYS 146           HZ1      LYS 146  11.958  -1.249   1.979
  530    HZ2  LYS 146           HZ2      LYS 146  10.608  -1.252   0.961
  531    HZ3  LYS 146           HZ3      LYS 146  11.209  -2.710   1.571
  532    H    ARG 147           HN       ARG 147  12.740  -2.927   5.723
  533    HA   ARG 147           HA       ARG 147  14.222  -5.093   7.056
  534    HB2  ARG 147           HB2      ARG 147  15.972  -3.496   7.560
  535    HB3  ARG 147           HB1      ARG 147  15.662  -3.513   5.831
  536    HG2  ARG 147           HG2      ARG 147  15.559  -1.300   5.965
  537    HG3  ARG 147           HG1      ARG 147  13.994  -1.523   6.750
  538    HD2  ARG 147           HD2      ARG 147  15.056  -0.207   8.296
  539    HD3  ARG 147           HD1      ARG 147  15.465  -1.810   8.900
  540    HE   ARG 147           HE       ARG 147  17.263   0.031   7.494
  541   HH11  ARG 147          HH11      ARG 147  16.789  -2.957   9.251
  542   HH12  ARG 147          HH12      ARG 147  18.481  -3.218   9.498
  543   HH21  ARG 147          HH21      ARG 147  19.483  -0.321   7.824
  544   HH22  ARG 147          HH22      ARG 147  20.009  -1.725   8.691
  545    H    LEU 148           HN       LEU 148  12.812  -5.566   8.683
  546    HA   LEU 148           HA       LEU 148  11.846  -5.410  10.731
  547    HB2  LEU 148           HB2      LEU 148  14.153  -4.048  10.993
  548    HB3  LEU 148           HB1      LEU 148  13.014  -2.766  11.355
  549    HG   LEU 148           HG       LEU 148  11.991  -4.495  13.019
  550   HD11  LEU 148          HD11      LEU 148  13.780  -5.949  13.985
  551   HD12  LEU 148          HD12      LEU 148  14.756  -5.592  12.560
  552   HD13  LEU 148          HD13      LEU 148  13.218  -6.438  12.386
  553   HD21  LEU 148          HD21      LEU 148  13.229  -2.337  13.496
  554   HD22  LEU 148          HD22      LEU 148  14.674  -3.327  13.707
  555   HD23  LEU 148          HD23      LEU 148  13.279  -3.566  14.761
  556    H    LEU 149           HN       LEU 149  12.071  -1.940   9.941
  557    HA   LEU 149           HA       LEU 149   9.319  -1.544  10.635
  558    HB2  LEU 149           HB2      LEU 149   9.728   0.797   9.996
  559    HB3  LEU 149           HB1      LEU 149  10.921   0.187  11.127
  560    HG   LEU 149           HG       LEU 149  12.382  -0.241   9.039
  561   HD11  LEU 149          HD11      LEU 149  10.173   1.435   7.936
  562   HD12  LEU 149          HD12      LEU 149  11.004   0.056   7.217
  563   HD13  LEU 149          HD13      LEU 149  11.814   1.620   7.317
  564   HD21  LEU 149          HD21      LEU 149  13.064   1.390  10.594
  565   HD22  LEU 149          HD22      LEU 149  11.736   2.469  10.167
  566   HD23  LEU 149          HD23      LEU 149  13.060   2.206   9.031
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   3.389  11.610   4.929
    2    H2   GLY   1           HT2      GLY   1   4.917  10.897   4.800
    3    H3   GLY   1           HT3      GLY   1   4.227  11.148   6.324
    4    HA2  GLY   1           HA1      GLY   1   2.327   9.672   5.135
    5    HA3  GLY   1           HA2      GLY   1   3.793   9.016   4.421
    6    H    SER   2           HN       SER   2   4.460   7.263   5.446
    7    HA   SER   2           HA       SER   2   4.576   7.281   8.366
    8    HB2  SER   2           HB2      SER   2   3.504   4.844   6.959
    9    HB3  SER   2           HB1      SER   2   3.402   5.267   8.669
   10    HG   SER   2           HG       SER   2   1.486   5.588   7.145
   11    H    LYS   2           HN       LYS   2   5.038   4.868   5.787
   12    HA   LYS   2           HA       LYS   2   7.906   4.823   6.324
   13    HB2  LYS   2           HB2      LYS   2   6.343   2.251   6.302
   14    HB3  LYS   2           HB1      LYS   2   8.014   2.502   6.784
   15    HG2  LYS   2           HG2      LYS   2   7.092   2.338   8.841
   16    HG3  LYS   2           HG1      LYS   2   6.838   4.065   8.588
   17    HD2  LYS   2           HD2      LYS   2   4.746   3.376   9.285
   18    HD3  LYS   2           HD1      LYS   2   4.583   3.299   7.530
   19    HE2  LYS   2           HE2      LYS   2   3.837   1.218   7.895
   20    HE3  LYS   2           HE1      LYS   2   5.541   0.815   8.101
   21    HZ1  LYS   2           HZ1      LYS   2   4.157   1.808  10.461
   22    HZ2  LYS   2           HZ2      LYS   2   5.308   0.576  10.318
   23    HZ3  LYS   2           HZ3      LYS   2   3.692   0.273   9.919
   24    H    LEU   2           HN       LEU   2   7.645   5.859   4.157
   25    HA   LEU   2           HA       LEU   2   7.106   3.914   2.033
   26    HB2  LEU   2           HB2      LEU   2   7.180   6.913   2.067
   27    HB3  LEU   2           HB1      LEU   2   7.195   6.003   0.570
   28    HG   LEU   2           HG       LEU   2   4.978   5.760   0.610
   29   HD11  LEU   2          HD11      LEU   2   5.222   3.852   2.126
   30   HD12  LEU   2          HD12      LEU   2   3.749   4.760   2.451
   31   HD13  LEU   2          HD13      LEU   2   5.145   4.945   3.508
   32   HD21  LEU   2          HD21      LEU   2   5.415   8.057   1.802
   33   HD22  LEU   2          HD22      LEU   2   4.673   7.233   3.173
   34   HD23  LEU   2          HD23      LEU   2   3.784   7.401   1.658
   35    H    GLU   3           HN       GLU   3   9.331   6.674   2.417
   36    HA   GLU   3           HA       GLU   3  11.434   7.021   1.622
   37    HB2  GLU   3           HB2      GLU   3  12.878   4.763   2.091
   38    HB3  GLU   3           HB1      GLU   3  12.510   5.979   3.303
   39    HG2  GLU   3           HG2      GLU   3  10.472   4.622   3.883
   40    HG3  GLU   3           HG1      GLU   3  11.119   3.357   2.839
   41    H    GLY   4           HN       GLY   4  11.745   3.586   0.928
   42    HA2  GLY   4           HA2      GLY   4  11.305   4.032  -1.917
   43    HA3  GLY   4           HA1      GLY   4  12.945   3.611  -1.441
   44    H    LYS   5           HN       LYS   5  11.245   2.079  -3.171
   45    HA   LYS   5           HA       LYS   5  11.546  -0.462  -1.922
   46    HB2  LYS   5           HB2      LYS   5   9.257  -1.159  -1.811
   47    HB3  LYS   5           HB1      LYS   5   9.432   0.324  -0.888
   48    HG2  LYS   5           HG2      LYS   5   8.385   0.211  -3.701
   49    HG3  LYS   5           HG1      LYS   5   7.374   0.194  -2.263
   50    HD2  LYS   5           HD2      LYS   5   9.280   2.393  -3.060
   51    HD3  LYS   5           HD1      LYS   5   7.524   2.439  -3.203
   52    HE2  LYS   5           HE2      LYS   5   7.409   2.097  -0.720
   53    HE3  LYS   5           HE1      LYS   5   9.156   2.319  -0.674
   54    HZ1  LYS   5           HZ1      LYS   5   8.829   4.492  -0.620
   55    HZ2  LYS   5           HZ2      LYS   5   7.154   4.280  -0.706
   56    HZ3  LYS   5           HZ3      LYS   5   8.059   4.439  -2.126
   57    H    THR   6           HN       THR   6   9.818   1.225  -4.548
   58    HA   THR   6           HA       THR   6  11.237   0.185  -6.649
   59    HB   THR   6           HB       THR   6  10.669  -2.048  -6.218
   60    HG1  THR   6           HG1      THR   6  10.168  -1.356  -8.385
   61   HG21  THR   6          HG21      THR   6   8.660  -2.923  -5.500
   62   HG22  THR   6          HG22      THR   6   7.738  -1.520  -6.036
   63   HG23  THR   6          HG23      THR   6   8.763  -1.407  -4.608
   64    H    CYS   7           HN       CYS   7   7.768   0.428  -5.853
   65    HA   CYS   7           HA       CYS   7   6.093   1.685  -6.736
   66    HB2  CYS   7           HB2      CYS   7   8.011   3.525  -8.091
   67    HB3  CYS   7           HB1      CYS   7   6.539   3.896  -7.198
   68    H    GLY   8           HN       GLY   8   7.678  -0.388  -8.383
   69    HA2  GLY   8           HA2      GLY   8   7.039   0.524 -11.091
   70    HA3  GLY   8           HA1      GLY   8   7.956  -0.917 -10.673
   71    HA   PRO   9           HA       PRO   9   4.443  -3.496 -11.294
   72    HB2  PRO   9           HB2      PRO   9   4.923  -4.785  -8.670
   73    HB3  PRO   9           HB1      PRO   9   4.918  -5.495 -10.286
   74    HG2  PRO   9           HG2      PRO   9   7.197  -5.130  -8.941
   75    HG3  PRO   9           HG1      PRO   9   7.113  -4.908 -10.699
   76    HD2  PRO   9           HD2      PRO   9   7.158  -2.851  -8.526
   77    HD3  PRO   9           HD1      PRO   9   7.964  -2.838 -10.108
   78    H    SER  10           HN       SER  10   3.015  -4.697  -8.940
   79    HA   SER  10           HA       SER  10   0.888  -2.948  -8.726
   80    HB2  SER  10           HB2      SER  10   1.821  -5.263  -7.068
   81    HB3  SER  10           HB1      SER  10   0.459  -4.292  -6.509
   82    HG   SER  10           HG       SER  10  -0.703  -4.894  -8.252
   83    H    SER  11           HN       SER  11   1.668  -0.852  -8.320
   84    HA   SER  11           HA       SER  11   1.995  -0.262  -5.498
   85    HB2  SER  11           HB2      SER  11   4.141   0.115  -7.527
   86    HB3  SER  11           HB1      SER  11   3.910   1.406  -6.347
   87    HG   SER  11           HG       SER  11   5.404  -0.223  -5.661
   88    H    PHE  12           HN       PHE  12   1.579   1.941  -4.968
   89    HA   PHE  12           HA       PHE  12   0.241   3.457  -7.112
   90    HB2  PHE  12           HB2      PHE  12  -1.499   2.591  -5.728
   91    HB3  PHE  12           HB1      PHE  12  -0.629   3.006  -4.256
   92    HD1  PHE  12           HD1      PHE  12  -2.124   4.610  -7.270
   93    HD2  PHE  12           HD2      PHE  12  -1.193   4.930  -3.129
   94    HE1  PHE  12           HE1      PHE  12  -3.323   6.757  -7.170
   95    HE2  PHE  12           HE2      PHE  12  -2.390   7.078  -3.022
   96    HZ   PHE  12           HZ       PHE  12  -3.458   7.992  -5.044
   97    H    SER  13           HN       SER  13   1.232   5.322  -7.492
   98    HA   SER  13           HA       SER  13   3.194   6.396  -5.733
   99    HB2  SER  13           HB2      SER  13   2.429   6.766  -8.437
  100    HB3  SER  13           HB1      SER  13   2.340   8.345  -7.658
  101    HG   SER  13           HG       SER  13   4.547   6.659  -8.030
  102    H    CYS  14           HN       CYS  14   2.906   7.701  -4.040
  103    HA   CYS  14           HA       CYS  14   0.412   8.480  -3.104
  104    HB2  CYS  14           HB2      CYS  14   3.210   9.303  -2.454
  105    HB3  CYS  14           HB1      CYS  14   1.869  10.184  -1.737
  106    HA   PRO  15           HA       PRO  15  -0.575  11.862  -5.839
  107    HB2  PRO  15           HB2      PRO  15  -2.520  12.559  -3.727
  108    HB3  PRO  15           HB1      PRO  15  -2.794  12.195  -5.431
  109    HG2  PRO  15           HG2      PRO  15  -3.475  10.458  -3.521
  110    HG3  PRO  15           HG1      PRO  15  -2.823   9.910  -5.077
  111    HD2  PRO  15           HD2      PRO  15  -1.451  10.150  -2.427
  112    HD3  PRO  15           HD1      PRO  15  -1.324   8.868  -3.650
  113    H    GLY  16           HN       GLY  16   0.398  13.768  -6.002
  114    HA2  GLY  16           HA2      GLY  16   0.962  15.947  -5.388
  115    HA3  GLY  16           HA1      GLY  16   0.466  15.589  -3.742
  116    H    THR  17           HN       THR  17   2.086  13.266  -3.375
  117    HA   THR  17           HA       THR  17   4.686  14.589  -3.098
  118    HB   THR  17           HB       THR  17   5.104  12.637  -1.493
  119    HG1  THR  17           HG1      THR  17   3.132  11.538  -2.416
  120   HG21  THR  17          HG21      THR  17   3.132  14.813  -1.014
  121   HG22  THR  17          HG22      THR  17   4.751  14.591  -0.352
  122   HG23  THR  17          HG23      THR  17   3.417  13.596   0.231
  123    H    HIS  18           HN       HIS  18   6.540  13.763  -3.927
  124    HA   HIS  18           HA       HIS  18   6.464  12.135  -6.195
  125    HB2  HIS  18           HB2      HIS  18   8.893  12.120  -6.068
  126    HB3  HIS  18           HB1      HIS  18   8.295  13.723  -5.649
  127    HD1  HIS  18           HD1      HIS  18   8.678  14.525  -3.207
  128    HD2  HIS  18           HD2      HIS  18  10.063  10.687  -3.981
  129    HE1  HIS  18           HE1      HIS  18  10.088  13.863  -1.214
  130    H    VAL  19           HN       VAL  19   6.561  11.346  -2.852
  131    HA   VAL  19           HA       VAL  19   7.758   8.845  -2.837
  132    HB   VAL  19           HB       VAL  19   7.167  10.028  -0.800
  133   HG11  VAL  19          HG11      VAL  19   4.343   9.296  -0.770
  134   HG12  VAL  19          HG12      VAL  19   4.753  10.500  -1.992
  135   HG13  VAL  19          HG13      VAL  19   5.133  10.799  -0.295
  136   HG21  VAL  19          HG21      VAL  19   5.488   7.600  -0.550
  137   HG22  VAL  19          HG22      VAL  19   6.821   8.172   0.456
  138   HG23  VAL  19          HG23      VAL  19   7.155   7.388  -1.087
  139    H    CYS  20           HN       CYS  20   6.929   6.731  -2.929
  140    HA   CYS  20           HA       CYS  20   4.335   6.458  -4.289
  141    HB2  CYS  20           HB2      CYS  20   5.724   4.293  -5.207
  142    HB3  CYS  20           HB1      CYS  20   5.523   5.803  -6.086
  143    H    VAL  21           HN       VAL  21   2.941   5.242  -3.242
  144    HA   VAL  21           HA       VAL  21   3.926   3.424  -1.160
  145    HB   VAL  21           HB       VAL  21   2.381   5.039  -0.309
  146   HG11  VAL  21          HG11      VAL  21   0.023   5.112  -1.193
  147   HG12  VAL  21          HG12      VAL  21   0.599   4.188  -2.577
  148   HG13  VAL  21          HG13      VAL  21   1.257   5.791  -2.252
  149   HG21  VAL  21          HG21      VAL  21   2.151   2.824   0.637
  150   HG22  VAL  21          HG22      VAL  21   1.014   2.371  -0.634
  151   HG23  VAL  21          HG23      VAL  21   0.573   3.605   0.546
  152    HA   PRO  22           HA       PRO  22   2.976   0.032  -3.926
  153    HB2  PRO  22           HB2      PRO  22   3.114  -1.567  -1.445
  154    HB3  PRO  22           HB1      PRO  22   4.028  -1.728  -2.947
  155    HG2  PRO  22           HG2      PRO  22   5.172  -0.774  -0.728
  156    HG3  PRO  22           HG1      PRO  22   5.581  -0.137  -2.331
  157    HD2  PRO  22           HD2      PRO  22   3.807   1.029  -0.225
  158    HD3  PRO  22           HD1      PRO  22   4.976   1.838  -1.289
  159    H    GLU  23           HN       GLU  23   1.330  -1.586  -4.193
  160    HA   GLU  23           HA       GLU  23  -1.233  -0.745  -3.424
  161    HB2  GLU  23           HB2      GLU  23  -0.213  -2.530  -5.257
  162    HB3  GLU  23           HB1      GLU  23  -1.032  -3.587  -4.115
  163    HG2  GLU  23           HG2      GLU  23  -3.100  -2.385  -4.427
  164    HG3  GLU  23           HG1      GLU  23  -2.296  -1.224  -5.483
  165    H    ARG  24           HN       ARG  24   0.998  -3.033  -2.015
  166    HA   ARG  24           HA       ARG  24  -0.836  -4.273  -0.244
  167    HB2  ARG  24           HB2      ARG  24   1.566  -4.996  -0.954
  168    HB3  ARG  24           HB1      ARG  24   2.088  -3.958   0.363
  169    HG2  ARG  24           HG2      ARG  24   0.253  -6.329   0.601
  170    HG3  ARG  24           HG1      ARG  24   1.946  -6.261   1.078
  171    HD2  ARG  24           HD2      ARG  24   1.067  -4.193   2.481
  172    HD3  ARG  24           HD1      ARG  24  -0.438  -5.104   2.387
  173    HE   ARG  24           HE       ARG  24   1.839  -6.658   3.221
  174   HH11  ARG  24          HH11      ARG  24  -0.791  -4.615   4.269
  175   HH12  ARG  24          HH12      ARG  24  -0.805  -5.249   5.880
  176   HH21  ARG  24          HH21      ARG  24   1.819  -7.492   5.340
  177   HH22  ARG  24          HH22      ARG  24   0.676  -6.880   6.489
  178    H    TRP  25           HN       TRP  25   1.056  -1.348  -0.149
  179    HA   TRP  25           HA       TRP  25   0.441  -0.889   2.658
  180    HB2  TRP  25           HB2      TRP  25   1.975   0.856   0.725
  181    HB3  TRP  25           HB1      TRP  25   1.903   1.046   2.474
  182    HD1  TRP  25           HD1      TRP  25   2.231  -2.547   1.842
  183    HE1  TRP  25           HE1      TRP  25   4.676  -3.313   2.064
  184    HE3  TRP  25           HE3      TRP  25   4.512   2.026   1.798
  185    HZ2  TRP  25           HZ2      TRP  25   7.242  -2.133   2.196
  186    HZ3  TRP  25           HZ3      TRP  25   6.963   2.117   1.976
  187    HH2  TRP  25           HH2      TRP  25   8.298   0.084   2.174
  188    H    LEU  26           HN       LEU  26  -1.608  -0.826   0.404
  189    HA   LEU  26           HA       LEU  26  -2.457   1.941   0.377
  190    HB2  LEU  26           HB2      LEU  26  -3.172  -0.537  -1.020
  191    HB3  LEU  26           HB1      LEU  26  -4.533   0.503  -0.672
  192    HG   LEU  26           HG       LEU  26  -3.780   2.192  -2.067
  193   HD11  LEU  26          HD11      LEU  26  -1.234   1.618  -2.991
  194   HD12  LEU  26          HD12      LEU  26  -1.149   1.280  -1.264
  195   HD13  LEU  26          HD13      LEU  26  -1.672   2.867  -1.826
  196   HD21  LEU  26          HD21      LEU  26  -3.188  -0.515  -3.143
  197   HD22  LEU  26          HD22      LEU  26  -2.784   0.896  -4.122
  198   HD23  LEU  26          HD23      LEU  26  -4.448   0.632  -3.598
  199    H    CYS  27           HN       CYS  27  -3.944  -1.130   1.386
  200    HA   CYS  27           HA       CYS  27  -5.508   0.373   3.386
  201    HB2  CYS  27           HB2      CYS  27  -6.263  -2.342   2.348
  202    HB3  CYS  27           HB1      CYS  27  -7.281  -1.133   3.120
  203    H    ASP  28           HN       ASP  28  -2.786  -0.734   3.713
  204    HA   ASP  28           HA       ASP  28  -2.827  -3.133   5.163
  205    HB2  ASP  28           HB2      ASP  28  -0.616  -2.813   5.086
  206    HB3  ASP  28           HB1      ASP  28  -0.891  -1.220   4.399
  207    H    GLY  29           HN       GLY  29  -3.843   0.040   6.012
  208    HA2  GLY  29           HA2      GLY  29  -5.349   0.167   7.940
  209    HA3  GLY  29           HA1      GLY  29  -4.218  -0.869   8.794
  210    H    ASP  30           HN       ASP  30  -3.155   1.749   6.753
  211    HA   ASP  30           HA       ASP  30  -2.969   3.730   8.772
  212    HB2  ASP  30           HB2      ASP  30  -0.929   1.749   8.819
  213    HB3  ASP  30           HB1      ASP  30  -0.205   3.235   8.210
  214    H    LYS  31           HN       LYS  31  -2.941   5.617   7.739
  215    HA   LYS  31           HA       LYS  31  -2.837   5.835   4.965
  216    HB2  LYS  31           HB2      LYS  31  -2.466   7.922   7.108
  217    HB3  LYS  31           HB1      LYS  31  -2.605   8.305   5.400
  218    HG2  LYS  31           HG2      LYS  31  -4.821   7.238   5.362
  219    HG3  LYS  31           HG1      LYS  31  -4.680   6.930   7.093
  220    HD2  LYS  31           HD2      LYS  31  -4.986   9.124   7.648
  221    HD3  LYS  31           HD1      LYS  31  -4.281   9.716   6.143
  222    HE2  LYS  31           HE2      LYS  31  -6.257   9.700   5.065
  223    HE3  LYS  31           HE1      LYS  31  -6.771   8.194   5.822
  224    HZ1  LYS  31           HZ1      LYS  31  -7.011  10.949   6.857
  225    HZ2  LYS  31           HZ2      LYS  31  -7.082   9.619   7.899
  226    HZ3  LYS  31           HZ3      LYS  31  -8.221   9.783   6.660
  227    H    ASP  32           HN       ASP  32  -0.959   4.733   4.304
  228    HA   ASP  32           HA       ASP  32   1.664   5.317   5.043
  229    HB2  ASP  32           HB2      ASP  32   0.337   3.914   2.831
  230    HB3  ASP  32           HB1      ASP  32   1.906   4.583   2.409
  231    H    CYS  33           HN       CYS  33  -0.447   6.821   2.660
  232    HA   CYS  33           HA       CYS  33   1.620   8.532   1.618
  233    HB2  CYS  33           HB2      CYS  33  -1.350   8.325   1.212
  234    HB3  CYS  33           HB1      CYS  33  -0.459   9.705   0.585
  235    H    ALA  34           HN       ALA  34   0.696  10.999   1.448
  236    HA   ALA  34           HA       ALA  34   1.068  12.031   4.080
  237    HB1  ALA  34           HB1      ALA  34   2.014  13.261   2.298
  238    HB2  ALA  34           HB2      ALA  34   0.695  14.245   2.932
  239    HB3  ALA  34           HB3      ALA  34   0.477  13.334   1.437
  240    H    ASP  35           HN       ASP  35  -1.693  11.838   1.866
  241    HA   ASP  35           HA       ASP  35  -3.425  12.753   4.068
  242    HB2  ASP  35           HB2      ASP  35  -3.937  12.915   1.090
  243    HB3  ASP  35           HB1      ASP  35  -5.020  13.489   2.354
  244    H    GLY  36           HN       GLY  36  -2.485  10.010   3.589
  245    HA2  GLY  36           HA2      GLY  36  -3.370   7.892   3.718
  246    HA3  GLY  36           HA1      GLY  36  -4.923   8.654   4.014
  247    H    ALA  37           HN       ALA  37  -3.202   9.418   1.109
  248    HA   ALA  37           HA       ALA  37  -5.283   8.756  -0.608
  249    HB1  ALA  37           HB1      ALA  37  -3.570  10.230  -1.351
  250    HB2  ALA  37           HB2      ALA  37  -3.538   8.813  -2.401
  251    HB3  ALA  37           HB3      ALA  37  -2.330   8.995  -1.129
  252    H    ASP  38           HN       ASP  38  -2.583   6.831   0.556
  253    HA   ASP  38           HA       ASP  38  -2.806   4.637  -1.167
  254    HB2  ASP  38           HB2      ASP  38  -1.470   3.449   0.401
  255    HB3  ASP  38           HB1      ASP  38  -0.964   5.126   0.528
  256    H    GLU  39           HN       GLU  39  -4.428   5.406   1.864
  257    HA   GLU  39           HA       GLU  39  -5.972   2.967   1.857
  258    HB2  GLU  39           HB2      GLU  39  -6.253   5.441   3.573
  259    HB3  GLU  39           HB1      GLU  39  -7.051   3.900   3.853
  260    HG2  GLU  39           HG2      GLU  39  -4.078   4.002   3.698
  261    HG3  GLU  39           HG1      GLU  39  -4.895   4.536   5.166
  262    H    SER  40           HN       SER  40  -6.205   6.087   0.499
  263    HA   SER  40           HA       SER  40  -9.062   6.215   0.336
  264    HB2  SER  40           HB2      SER  40  -6.914   7.761  -1.126
  265    HB3  SER  40           HB1      SER  40  -8.638   8.120  -1.203
  266    HG   SER  40           HG       SER  40  -7.100   8.083   1.181
  267    H    ILE  41           HN       ILE  41 -10.347   5.963  -1.491
  268    HA   ILE  41           HA       ILE  41  -9.910   3.715  -3.034
  269    HB   ILE  41           HB       ILE  41 -12.093   4.907  -2.656
  270   HG12  ILE  41          HG12      ILE  41 -12.823   4.425  -5.133
  271   HG13  ILE  41          HG11      ILE  41 -11.181   3.810  -5.276
  272   HG21  ILE  41          HG21      ILE  41 -11.289   6.548  -5.044
  273   HG22  ILE  41          HG22      ILE  41 -11.226   7.141  -3.383
  274   HG23  ILE  41          HG23      ILE  41 -12.771   6.672  -4.096
  275   HD11  ILE  41          HD11      ILE  41 -13.482   2.556  -4.158
  276   HD12  ILE  41          HD12      ILE  41 -12.238   2.719  -2.917
  277   HD13  ILE  41          HD13      ILE  41 -11.871   1.892  -4.432
  278    H    ALA  42           HN       ALA  42  -8.780   6.953  -3.517
  279    HA   ALA  42           HA       ALA  42  -8.326   7.091  -6.230
  280    HB1  ALA  42           HB1      ALA  42  -6.105   8.045  -4.545
  281    HB2  ALA  42           HB2      ALA  42  -7.704   8.665  -4.133
  282    HB3  ALA  42           HB3      ALA  42  -7.060   8.898  -5.758
  283    H    ALA  43           HN       ALA  43  -6.738   5.145  -3.840
  284    HA   ALA  43           HA       ALA  43  -4.624   4.354  -5.696
  285    HB1  ALA  43           HB1      ALA  43  -3.584   3.279  -3.818
  286    HB2  ALA  43           HB2      ALA  43  -5.032   3.502  -2.835
  287    HB3  ALA  43           HB3      ALA  43  -4.081   4.902  -3.333
  288    H    GLY  44           HN       GLY  44  -7.637   3.254  -4.426
  289    HA2  GLY  44           HA2      GLY  44  -8.785   1.508  -5.667
  290    HA3  GLY  44           HA1      GLY  44  -7.240   0.683  -5.816
  291    H    CYS  45           HN       CYS  45  -8.461   2.188  -2.883
  292    HA   CYS  45           HA       CYS  45  -8.030  -0.215  -1.401
  293    HB2  CYS  45           HB2      CYS  45  -7.834   2.279  -0.641
  294    HB3  CYS  45           HB1      CYS  45  -9.556   2.125  -0.314
  295    H    LEU  46           HN       LEU  46 -10.550   0.709  -3.350
  296    HA   LEU  46           HA       LEU  46 -12.588  -0.207  -3.754
  297    HB2  LEU  46           HB2      LEU  46 -12.119  -2.051  -1.421
  298    HB3  LEU  46           HB1      LEU  46 -13.236  -2.277  -2.750
  299    HG   LEU  46           HG       LEU  46 -11.614  -3.689  -3.452
  300   HD11  LEU  46          HD11      LEU  46 -11.730  -1.775  -5.081
  301   HD12  LEU  46          HD12      LEU  46 -10.266  -2.755  -5.153
  302   HD13  LEU  46          HD13      LEU  46 -10.234  -1.179  -4.365
  303   HD21  LEU  46          HD21      LEU  46 -10.253  -2.822  -1.320
  304   HD22  LEU  46          HD22      LEU  46  -9.237  -2.160  -2.600
  305   HD23  LEU  46          HD23      LEU  46  -9.561  -3.893  -2.537
  306    H    TYR  47           HN       TYR  47 -11.898   1.682  -1.254
  307    HA   TYR  47           HA       TYR  47 -14.625   2.247  -0.718
  308    HB2  TYR  47           HB2      TYR  47 -14.471   1.769   1.779
  309    HB3  TYR  47           HB1      TYR  47 -14.651   0.384   0.717
  310    HD1  TYR  47           HD2      TYR  47 -12.147   2.287   2.708
  311    HD2  TYR  47           HD1      TYR  47 -13.079  -1.358   0.716
  312    HE1  TYR  47           HE2      TYR  47 -10.172   1.237   3.721
  313    HE2  TYR  47           HE1      TYR  47 -11.106  -2.418   1.729
  314    HH   TYR  47           HH       TYR  47  -9.339  -2.146   3.061
  315    H    ASN  48           HN       ASN  48 -13.760   3.185   2.098
  316    HA   ASN  48           HA       ASN  48 -12.482   4.866   3.062
  317    HB2  ASN  48           HB2      ASN  48 -11.078   4.790   0.789
  318    HB3  ASN  48           HB1      ASN  48 -11.960   6.288   0.500
  319   HD21  ASN  48          HD21      ASN  48 -10.727   7.949   0.971
  320   HD22  ASN  48          HD22      ASN  48  -9.684   8.092   2.340
  321    H    SER  49           HN       SER  49 -12.653   7.615   2.116
  322    HA   SER  49           HA       SER  49 -14.119   9.360   2.004
  323    HB2  SER  49           HB2      SER  49 -15.490   7.270   0.593
  324    HB3  SER  49           HB1      SER  49 -16.653   8.158   1.580
  325    HG   SER  49           HG       SER  49 -16.376   9.112  -0.479
  326    H    THR  50           HN       THR  50 -13.901   7.193   4.295
  327    HA   THR  50           HA       THR  50 -15.628   8.646   6.094
  328    HB   THR  50           HB       THR  50 -16.442   6.279   6.952
  329    HG1  THR  50           HG1      THR  50 -15.610   4.884   5.554
  330   HG21  THR  50          HG21      THR  50 -17.751   8.268   5.818
  331   HG22  THR  50          HG22      THR  50 -18.498   6.694   6.096
  332   HG23  THR  50          HG23      THR  50 -17.875   7.106   4.498
  333    H    GLY  51           HN       GLY  51 -13.518   5.821   5.680
  334    HA2  GLY  51           HA2      GLY  51 -11.852   6.725   7.872
  335    HA3  GLY  51           HA1      GLY  51 -12.700   5.215   8.170
  336    H    SER  52           HN       SER  52 -11.154   3.696   8.085
  337    HA   SER  52           HA       SER  52 -10.036   2.953   5.597
  338    HB2  SER  52           HB2      SER  52  -7.605   3.238   6.338
  339    HB3  SER  52           HB1      SER  52  -8.453   4.699   5.834
  340    HG   SER  52           HG       SER  52  -8.109   5.471   7.743
  341    H    GLY  53           HN       GLY  53  -9.130   0.898   5.642
  342    HA2  GLY  53           HA2      GLY  53  -8.055  -0.567   7.635
  343    HA3  GLY  53           HA1      GLY  53  -9.770  -0.646   8.007
  344    H    SER  54           HN       SER  54 -11.069  -2.002   6.869
  345    HA   SER  54           HA       SER  54 -10.544  -3.035   4.313
  346    HB2  SER  54           HB2      SER  54  -9.741  -5.237   4.740
  347    HB3  SER  54           HB1      SER  54  -8.682  -4.149   5.635
  348    HG   SER  54           HG       SER  54  -9.425  -6.005   6.843
  349    H    GLY  55           HN       GLY  55 -12.646  -2.999   3.794
  350    HA2  GLY  55           HA2      GLY  55 -14.405  -4.894   5.147
  351    HA3  GLY  55           HA1      GLY  55 -14.907  -3.210   5.160
  352    H    SER  56           HN       SER  56 -13.182  -4.592   2.462
  353    HA   SER  56           HA       SER  56 -15.523  -4.112   0.780
  354    HB2  SER  56           HB2      SER  56 -13.033  -3.318   0.340
  355    HB3  SER  56           HB1      SER  56 -12.883  -4.932  -0.355
  356    HG   SER  56           HG       SER  56 -14.407  -2.754  -1.207
  357    H    GLY  57           HN       GLY  57 -13.278  -6.678   1.697
  358    HA2  GLY  57           HA2      GLY  57 -14.449  -8.892   1.919
  359    HA3  GLY  57           HA1      GLY  57 -15.022  -8.601   0.284
  360    H    SER 129           HN       SER 129 -14.071 -10.512  -0.472
  361    HA   SER 129           HA       SER 129 -11.412 -11.281  -0.111
  362    HB2  SER 129           HB2      SER 129 -13.273 -11.799  -2.441
  363    HB3  SER 129           HB1      SER 129 -11.737 -12.628  -2.189
  364    HG   SER 129           HG       SER 129 -13.792 -12.596  -0.244
  365    H    THR 130           HN       THR 130 -12.858  -9.017  -2.359
  366    HA   THR 130           HA       THR 130 -10.688  -8.753  -4.126
  367    HB   THR 130           HB       THR 130 -12.402  -6.392  -3.496
  368    HG1  THR 130           HG1      THR 130 -13.331  -8.772  -4.724
  369   HG21  THR 130          HG21      THR 130 -12.622  -6.834  -6.144
  370   HG22  THR 130          HG22      THR 130 -11.019  -7.500  -5.831
  371   HG23  THR 130          HG23      THR 130 -11.379  -5.827  -5.402
  372    H    GLU 131           HN       GLU 131 -11.373  -7.311  -1.007
  373    HA   GLU 131           HA       GLU 131  -9.458  -5.254  -1.081
  374    HB2  GLU 131           HB2      GLU 131 -11.113  -5.150   0.616
  375    HB3  GLU 131           HB1      GLU 131 -10.724  -6.764   1.196
  376    HG2  GLU 131           HG2      GLU 131  -9.886  -5.144   2.744
  377    HG3  GLU 131           HG1      GLU 131  -8.531  -5.930   1.939
  378    H    GLU 132           HN       GLU 132  -9.247  -8.609   0.062
  379    HA   GLU 132           HA       GLU 132  -6.505  -8.362   0.843
  380    HB2  GLU 132           HB2      GLU 132  -7.933 -10.944   0.228
  381    HB3  GLU 132           HB1      GLU 132  -6.571 -10.692   1.311
  382    HG2  GLU 132           HG2      GLU 132  -8.917  -9.131   2.038
  383    HG3  GLU 132           HG1      GLU 132  -9.203 -10.870   2.041
  384    H    LEU 133           HN       LEU 133  -8.222  -9.572  -1.976
  385    HA   LEU 133           HA       LEU 133  -6.294 -10.853  -3.394
  386    HB2  LEU 133           HB2      LEU 133  -8.680  -9.292  -4.058
  387    HB3  LEU 133           HB1      LEU 133  -7.514  -9.388  -5.363
  388    HG   LEU 133           HG       LEU 133  -7.710 -11.724  -5.529
  389   HD11  LEU 133          HD11      LEU 133  -9.463 -12.649  -3.608
  390   HD12  LEU 133          HD12      LEU 133  -8.414 -11.547  -2.716
  391   HD13  LEU 133          HD13      LEU 133  -7.716 -12.885  -3.628
  392   HD21  LEU 133          HD21      LEU 133  -9.881 -10.121  -5.883
  393   HD22  LEU 133          HD22      LEU 133 -10.534 -11.376  -4.829
  394   HD23  LEU 133          HD23      LEU 133  -9.788 -11.814  -6.366
  395    H    ARG 134           HN       ARG 134  -6.510  -7.390  -2.857
  396    HA   ARG 134           HA       ARG 134  -4.298  -6.906  -4.704
  397    HB2  ARG 134           HB2      ARG 134  -4.745  -4.547  -4.379
  398    HB3  ARG 134           HB1      ARG 134  -6.241  -5.388  -4.760
  399    HG2  ARG 134           HG2      ARG 134  -6.813  -5.401  -2.367
  400    HG3  ARG 134           HG1      ARG 134  -5.344  -4.485  -2.031
  401    HD2  ARG 134           HD2      ARG 134  -7.540  -3.193  -2.238
  402    HD3  ARG 134           HD1      ARG 134  -6.142  -2.582  -3.118
  403    HE   ARG 134           HE       ARG 134  -8.555  -3.731  -4.244
  404   HH11  ARG 134          HH11      ARG 134  -5.262  -2.709  -4.810
  405   HH12  ARG 134          HH12      ARG 134  -5.474  -2.558  -6.521
  406   HH21  ARG 134          HH21      ARG 134  -8.830  -3.532  -6.494
  407   HH22  ARG 134          HH22      ARG 134  -7.496  -3.025  -7.477
  408    H    VAL 135           HN       VAL 135  -5.089  -6.381  -1.275
  409    HA   VAL 135           HA       VAL 135  -2.455  -5.465  -0.632
  410    HB   VAL 135           HB       VAL 135  -4.567  -6.420   1.299
  411   HG11  VAL 135          HG11      VAL 135  -3.425  -4.722   2.775
  412   HG12  VAL 135          HG12      VAL 135  -2.145  -4.654   1.563
  413   HG13  VAL 135          HG13      VAL 135  -2.484  -6.168   2.403
  414   HG21  VAL 135          HG21      VAL 135  -5.798  -4.777   0.354
  415   HG22  VAL 135          HG22      VAL 135  -4.391  -3.982  -0.349
  416   HG23  VAL 135          HG23      VAL 135  -4.783  -3.736   1.353
  417    H    ARG 136           HN       ARG 136  -3.666  -8.522  -1.235
  418    HA   ARG 136           HA       ARG 136  -1.964  -9.902   0.679
  419    HB2  ARG 136           HB2      ARG 136  -4.199 -10.779   0.291
  420    HB3  ARG 136           HB1      ARG 136  -3.872 -10.924  -1.429
  421    HG2  ARG 136           HG2      ARG 136  -2.046 -12.548  -0.824
  422    HG3  ARG 136           HG1      ARG 136  -2.696 -12.527   0.817
  423    HD2  ARG 136           HD2      ARG 136  -3.785 -14.344  -0.117
  424    HD3  ARG 136           HD1      ARG 136  -4.958 -13.046  -0.339
  425    HE   ARG 136           HE       ARG 136  -4.666 -13.206  -2.608
  426   HH11  ARG 136          HH11      ARG 136  -2.124 -14.979  -1.003
  427   HH12  ARG 136          HH12      ARG 136  -1.533 -15.698  -2.463
  428   HH21  ARG 136          HH21      ARG 136  -3.893 -14.151  -4.528
  429   HH22  ARG 136          HH22      ARG 136  -2.537 -15.227  -4.465
  430    H    LEU 137           HN       LEU 137  -2.415  -9.905  -2.865
  431    HA   LEU 137           HA       LEU 137  -0.113 -11.391  -3.459
  432    HB2  LEU 137           HB2      LEU 137  -1.903 -11.053  -5.074
  433    HB3  LEU 137           HB1      LEU 137  -1.566  -9.334  -5.124
  434    HG   LEU 137           HG       LEU 137  -0.725 -10.752  -7.071
  435   HD11  LEU 137          HD11      LEU 137   0.846  -9.186  -7.507
  436   HD12  LEU 137          HD12      LEU 137   1.607  -9.344  -5.924
  437   HD13  LEU 137          HD13      LEU 137   0.119  -8.413  -6.099
  438   HD21  LEU 137          HD21      LEU 137   0.170 -12.619  -5.831
  439   HD22  LEU 137          HD22      LEU 137   1.288 -11.556  -4.975
  440   HD23  LEU 137          HD23      LEU 137   1.472 -11.819  -6.710
  441    H    ALA 138           HN       ALA 138  -0.632  -7.877  -3.379
  442    HA   ALA 138           HA       ALA 138   1.921  -7.082  -4.159
  443    HB1  ALA 138           HB1      ALA 138  -0.057  -5.598  -3.960
  444    HB2  ALA 138           HB2      ALA 138   1.405  -4.939  -3.226
  445    HB3  ALA 138           HB3      ALA 138   0.143  -5.634  -2.207
  446    H    SER 139           HN       SER 139   0.842  -8.462  -1.193
  447    HA   SER 139           HA       SER 139   2.988  -7.485   0.430
  448    HB2  SER 139           HB2      SER 139   1.444  -8.119   1.939
  449    HB3  SER 139           HB1      SER 139   0.627  -9.165   0.780
  450    HG   SER 139           HG       SER 139   1.537 -10.792   1.728
  451    H    HIS 140           HN       HIS 140   2.892  -9.705  -2.047
  452    HA   HIS 140           HA       HIS 140   4.449 -11.830  -1.179
  453    HB2  HIS 140           HB2      HIS 140   4.969 -12.218  -3.515
  454    HB3  HIS 140           HB1      HIS 140   3.286 -11.726  -3.362
  455    HD1  HIS 140           HD1      HIS 140   3.947  -8.588  -3.219
  456    HD2  HIS 140           HD2      HIS 140   5.294 -11.289  -6.065
  457    HE1  HIS 140           HE1      HIS 140   4.515  -7.228  -5.270
  458    H    LEU 141           HN       LEU 141   5.402  -8.570  -2.037
  459    HA   LEU 141           HA       LEU 141   8.130  -9.211  -1.180
  460    HB2  LEU 141           HB2      LEU 141   8.237  -9.273  -3.578
  461    HB3  LEU 141           HB1      LEU 141   7.386  -7.744  -3.702
  462    HG   LEU 141           HG       LEU 141   9.645  -7.206  -2.127
  463   HD11  LEU 141          HD11      LEU 141  10.532  -8.640  -4.607
  464   HD12  LEU 141          HD12      LEU 141  10.440  -9.441  -3.038
  465   HD13  LEU 141          HD13      LEU 141  11.508  -8.054  -3.259
  466   HD21  LEU 141          HD21      LEU 141   8.914  -6.638  -4.986
  467   HD22  LEU 141          HD22      LEU 141  10.361  -5.975  -4.225
  468   HD23  LEU 141          HD23      LEU 141   8.766  -5.578  -3.584
  469    H    ARG 142           HN       ARG 142   5.821  -6.644  -1.996
  470    HA   ARG 142           HA       ARG 142   7.071  -4.414  -1.101
  471    HB2  ARG 142           HB2      ARG 142   4.180  -5.189  -0.734
  472    HB3  ARG 142           HB1      ARG 142   4.797  -3.573  -0.422
  473    HG2  ARG 142           HG2      ARG 142   4.725  -5.030  -3.050
  474    HG3  ARG 142           HG1      ARG 142   3.837  -3.577  -2.594
  475    HD2  ARG 142           HD2      ARG 142   6.054  -2.432  -2.307
  476    HD3  ARG 142           HD1      ARG 142   6.808  -3.862  -3.012
  477    HE   ARG 142           HE       ARG 142   5.363  -1.803  -4.395
  478   HH11  ARG 142          HH11      ARG 142   6.372  -5.142  -4.495
  479   HH12  ARG 142          HH12      ARG 142   6.271  -5.250  -6.221
  480   HH21  ARG 142          HH21      ARG 142   5.229  -1.942  -6.661
  481   HH22  ARG 142          HH22      ARG 142   5.621  -3.432  -7.451
  482    H    LYS 143           HN       LYS 143   4.728  -5.983   1.082
  483    HA   LYS 143           HA       LYS 143   6.032  -4.831   3.365
  484    HB2  LYS 143           HB2      LYS 143   3.490  -5.442   2.936
  485    HB3  LYS 143           HB1      LYS 143   3.978  -6.964   3.670
  486    HG2  LYS 143           HG2      LYS 143   3.090  -5.525   5.366
  487    HG3  LYS 143           HG1      LYS 143   4.825  -5.707   5.620
  488    HD2  LYS 143           HD2      LYS 143   4.856  -3.473   5.757
  489    HD3  LYS 143           HD1      LYS 143   4.705  -3.506   4.000
  490    HE2  LYS 143           HE2      LYS 143   2.884  -2.241   4.338
  491    HE3  LYS 143           HE1      LYS 143   2.108  -3.762   4.780
  492    HZ1  LYS 143           HZ1      LYS 143   2.114  -3.236   6.966
  493    HZ2  LYS 143           HZ2      LYS 143   2.105  -1.657   6.361
  494    HZ3  LYS 143           HZ3      LYS 143   3.555  -2.353   6.885
  495    H    LEU 144           HN       LEU 144   5.727  -8.098   2.020
  496    HA   LEU 144           HA       LEU 144   6.952  -9.498   4.106
  497    HB2  LEU 144           HB2      LEU 144   6.560  -9.993   1.195
  498    HB3  LEU 144           HB1      LEU 144   7.684 -11.021   2.062
  499    HG   LEU 144           HG       LEU 144   4.824 -10.620   2.924
  500   HD11  LEU 144          HD11      LEU 144   5.880 -12.162   0.722
  501   HD12  LEU 144          HD12      LEU 144   4.206 -11.875   1.197
  502   HD13  LEU 144          HD13      LEU 144   5.114 -13.201   1.924
  503   HD21  LEU 144          HD21      LEU 144   5.819 -11.488   4.771
  504   HD22  LEU 144          HD22      LEU 144   7.122 -12.243   3.853
  505   HD23  LEU 144          HD23      LEU 144   5.526 -12.993   3.899
  506    H    ARG 145           HN       ARG 145   8.344  -7.871   1.300
  507    HA   ARG 145           HA       ARG 145  11.037  -8.484   2.275
  508    HB2  ARG 145           HB2      ARG 145  10.071  -8.687  -0.223
  509    HB3  ARG 145           HB1      ARG 145  10.642  -7.026  -0.285
  510    HG2  ARG 145           HG2      ARG 145  12.351  -8.516  -1.100
  511    HG3  ARG 145           HG1      ARG 145  12.872  -7.791   0.422
  512    HD2  ARG 145           HD2      ARG 145  11.425 -10.353   0.635
  513    HD3  ARG 145           HD1      ARG 145  13.018 -10.430  -0.116
  514    HE   ARG 145           HE       ARG 145  12.417  -9.876   2.651
  515   HH11  ARG 145          HH11      ARG 145  14.791  -9.620   0.103
  516   HH12  ARG 145          HH12      ARG 145  16.131  -9.511   1.194
  517   HH21  ARG 145          HH21      ARG 145  14.179  -9.729   4.084
  518   HH22  ARG 145          HH22      ARG 145  15.784  -9.573   3.454
  519    H    LYS 146           HN       LYS 146  11.928  -6.020   0.633
  520    HA   LYS 146           HA       LYS 146  12.246  -3.770   0.908
  521    HB2  LYS 146           HB2      LYS 146   9.770  -3.802   1.674
  522    HB3  LYS 146           HB1      LYS 146  10.433  -3.735   3.301
  523    HG2  LYS 146           HG2      LYS 146   9.818  -1.521   2.431
  524    HG3  LYS 146           HG1      LYS 146  11.535  -1.646   2.812
  525    HD2  LYS 146           HD2      LYS 146  10.908  -2.389   0.064
  526    HD3  LYS 146           HD1      LYS 146  10.460  -0.727   0.452
  527    HE2  LYS 146           HE2      LYS 146  13.165  -2.022   0.647
  528    HE3  LYS 146           HE1      LYS 146  12.677  -0.652  -0.344
  529    HZ1  LYS 146           HZ1      LYS 146  13.624   0.496   1.325
  530    HZ2  LYS 146           HZ2      LYS 146  13.408  -0.734   2.463
  531    HZ3  LYS 146           HZ3      LYS 146  12.119   0.289   2.070
  532    H    ARG 147           HN       ARG 147  14.110  -5.413   1.780
  533    HA   ARG 147           HA       ARG 147  15.914  -5.601   3.153
  534    HB2  ARG 147           HB2      ARG 147  14.872  -2.916   4.047
  535    HB3  ARG 147           HB1      ARG 147  16.328  -3.629   4.727
  536    HG2  ARG 147           HG2      ARG 147  17.011  -2.128   3.033
  537    HG3  ARG 147           HG1      ARG 147  17.242  -3.758   2.398
  538    HD2  ARG 147           HD2      ARG 147  15.786  -3.423   0.739
  539    HD3  ARG 147           HD1      ARG 147  14.596  -2.705   1.824
  540    HE   ARG 147           HE       ARG 147  15.287  -0.643   1.134
  541   HH11  ARG 147          HH11      ARG 147  17.781  -2.956   0.354
  542   HH12  ARG 147          HH12      ARG 147  18.744  -1.811  -0.518
  543   HH21  ARG 147          HH21      ARG 147  16.552   0.864  -0.012
  544   HH22  ARG 147          HH22      ARG 147  18.047   0.358  -0.725
  545    H    LEU 148           HN       LEU 148  13.834  -3.905   5.465
  546    HA   LEU 148           HA       LEU 148  13.406  -6.402   6.919
  547    HB2  LEU 148           HB2      LEU 148  14.719  -3.933   8.027
  548    HB3  LEU 148           HB1      LEU 148  13.914  -5.097   9.062
  549    HG   LEU 148           HG       LEU 148  16.215  -5.630   9.138
  550   HD11  LEU 148          HD11      LEU 148  16.037  -7.837   8.787
  551   HD12  LEU 148          HD12      LEU 148  15.586  -7.638   7.094
  552   HD13  LEU 148          HD13      LEU 148  14.370  -7.453   8.358
  553   HD21  LEU 148          HD21      LEU 148  16.692  -6.152   6.312
  554   HD22  LEU 148          HD22      LEU 148  17.678  -5.286   7.490
  555   HD23  LEU 148          HD23      LEU 148  16.364  -4.454   6.659
  556    H    LEU 149           HN       LEU 149  11.705  -6.256   8.520
  557    HA   LEU 149           HA       LEU 149   9.568  -4.533   7.613
  558    HB2  LEU 149           HB2      LEU 149   8.159  -5.833   9.129
  559    HB3  LEU 149           HB1      LEU 149   9.094  -6.870   8.069
  560    HG   LEU 149           HG       LEU 149  10.746  -7.059  10.045
  561   HD11  LEU 149          HD11      LEU 149  10.110  -5.488  11.597
  562   HD12  LEU 149          HD12      LEU 149   9.315  -6.932  12.224
  563   HD13  LEU 149          HD13      LEU 149   8.389  -5.742  11.310
  564   HD21  LEU 149          HD21      LEU 149   8.985  -8.701  11.164
  565   HD22  LEU 149          HD22      LEU 149   9.726  -9.043   9.601
  566   HD23  LEU 149          HD23      LEU 149   8.104  -8.354   9.676
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   7.390  11.336   3.796
    2    H2   GLY   1           HT2      GLY   1   7.242  10.464   5.237
    3    H3   GLY   1           HT3      GLY   1   6.262  11.815   4.962
    4    HA2  GLY   1           HA1      GLY   1   4.965  10.744   3.378
    5    HA3  GLY   1           HA2      GLY   1   6.175   9.491   3.147
    6    H    SER   2           HN       SER   2   5.326  10.561   6.346
    7    HA   SER   2           HA       SER   2   4.222   9.572   8.073
    8    HB2  SER   2           HB2      SER   2   2.824   7.818   6.050
    9    HB3  SER   2           HB1      SER   2   2.261   8.278   7.656
   10    HG   SER   2           HG       SER   2   1.229   9.723   6.483
   11    H    LYS   2           HN       LYS   2   4.489   6.858   5.772
   12    HA   LYS   2           HA       LYS   2   6.473   5.600   7.507
   13    HB2  LYS   2           HB2      LYS   2   3.929   4.208   6.653
   14    HB3  LYS   2           HB1      LYS   2   5.252   3.480   7.554
   15    HG2  LYS   2           HG2      LYS   2   3.900   3.953   9.297
   16    HG3  LYS   2           HG1      LYS   2   4.712   5.516   9.189
   17    HD2  LYS   2           HD2      LYS   2   2.860   6.321   7.748
   18    HD3  LYS   2           HD1      LYS   2   2.036   4.782   8.003
   19    HE2  LYS   2           HE2      LYS   2   1.057   5.838   9.723
   20    HE3  LYS   2           HE1      LYS   2   2.578   5.530  10.559
   21    HZ1  LYS   2           HZ1      LYS   2   3.191   7.792   9.355
   22    HZ2  LYS   2           HZ2      LYS   2   2.446   7.752  10.873
   23    HZ3  LYS   2           HZ3      LYS   2   1.520   8.025   9.485
   24    H    LEU   2           HN       LEU   2   6.673   6.803   4.926
   25    HA   LEU   2           HA       LEU   2   7.020   4.509   3.131
   26    HB2  LEU   2           HB2      LEU   2   6.635   7.433   2.750
   27    HB3  LEU   2           HB1      LEU   2   7.588   6.584   1.553
   28    HG   LEU   2           HG       LEU   2   5.777   5.685   0.579
   29   HD11  LEU   2          HD11      LEU   2   4.654   5.212   3.333
   30   HD12  LEU   2          HD12      LEU   2   5.368   4.026   2.240
   31   HD13  LEU   2          HD13      LEU   2   3.826   4.775   1.839
   32   HD21  LEU   2          HD21      LEU   2   4.409   7.701   2.349
   33   HD22  LEU   2          HD22      LEU   2   3.665   6.922   0.953
   34   HD23  LEU   2          HD23      LEU   2   5.065   7.970   0.734
   35    H    GLU   3           HN       GLU   3   8.958   3.600   3.135
   36    HA   GLU   3           HA       GLU   3  11.322   5.341   3.309
   37    HB2  GLU   3           HB2      GLU   3  12.426   3.382   4.534
   38    HB3  GLU   3           HB1      GLU   3  11.283   4.363   5.443
   39    HG2  GLU   3           HG2      GLU   3   9.538   2.635   4.867
   40    HG3  GLU   3           HG1      GLU   3  10.862   1.627   4.285
   41    H    GLY   4           HN       GLY   4  11.143   5.142   0.939
   42    HA2  GLY   4           HA2      GLY   4  11.948   4.308  -1.041
   43    HA3  GLY   4           HA1      GLY   4  13.003   3.289  -0.074
   44    H    LYS   5           HN       LYS   5  11.413   2.805  -2.568
   45    HA   LYS   5           HA       LYS   5  10.485   0.180  -1.844
   46    HB2  LYS   5           HB2      LYS   5   8.598   2.393  -2.302
   47    HB3  LYS   5           HB1      LYS   5   8.261   0.945  -3.239
   48    HG2  LYS   5           HG2      LYS   5   8.595   1.031  -0.248
   49    HG3  LYS   5           HG1      LYS   5   7.053   1.003  -1.104
   50    HD2  LYS   5           HD2      LYS   5   7.205  -1.226  -0.860
   51    HD3  LYS   5           HD1      LYS   5   8.329  -1.129  -2.217
   52    HE2  LYS   5           HE2      LYS   5   9.857  -0.547   0.046
   53    HE3  LYS   5           HE1      LYS   5   8.815  -1.886   0.525
   54    HZ1  LYS   5           HZ1      LYS   5   9.564  -3.031  -1.546
   55    HZ2  LYS   5           HZ2      LYS   5  10.777  -2.805  -0.390
   56    HZ3  LYS   5           HZ3      LYS   5  10.712  -1.804  -1.751
   57    H    THR   6           HN       THR   6   9.167  -0.603  -4.054
   58    HA   THR   6           HA       THR   6  11.234  -0.416  -6.086
   59    HB   THR   6           HB       THR   6  10.584  -2.467  -6.740
   60    HG1  THR   6           HG1      THR   6   7.847  -1.807  -6.485
   61   HG21  THR   6          HG21      THR   6  10.318  -2.663  -4.249
   62   HG22  THR   6          HG22      THR   6   9.448  -3.854  -5.217
   63   HG23  THR   6          HG23      THR   6   8.581  -2.492  -4.507
   64    H    CYS   7           HN       CYS   7   7.720   0.077  -5.883
   65    HA   CYS   7           HA       CYS   7   6.282   1.337  -7.108
   66    HB2  CYS   7           HB2      CYS   7   8.397   3.155  -8.111
   67    HB3  CYS   7           HB1      CYS   7   6.861   3.532  -7.338
   68    H    GLY   8           HN       GLY   8   6.662  -0.801  -8.488
   69    HA2  GLY   8           HA2      GLY   8   6.947   0.147 -11.245
   70    HA3  GLY   8           HA1      GLY   8   7.947  -1.205 -10.742
   71    HA   PRO   9           HA       PRO   9   4.809  -4.118 -11.707
   72    HB2  PRO   9           HB2      PRO   9   4.576  -5.650  -9.430
   73    HB3  PRO   9           HB1      PRO   9   5.858  -5.831 -10.631
   74    HG2  PRO   9           HG2      PRO   9   5.906  -4.404  -8.006
   75    HG3  PRO   9           HG1      PRO   9   7.157  -5.406  -8.761
   76    HD2  PRO   9           HD2      PRO   9   7.284  -2.718  -8.776
   77    HD3  PRO   9           HD1      PRO   9   7.876  -3.692 -10.138
   78    H    SER  10           HN       SER  10   3.979  -4.139  -8.281
   79    HA   SER  10           HA       SER  10   1.363  -2.984  -8.983
   80    HB2  SER  10           HB2      SER  10   2.127  -5.133  -7.015
   81    HB3  SER  10           HB1      SER  10   0.604  -4.257  -6.872
   82    HG   SER  10           HG       SER  10   1.401  -5.535  -9.266
   83    H    SER  11           HN       SER  11   2.256  -0.869  -8.605
   84    HA   SER  11           HA       SER  11   2.293  -0.207  -5.749
   85    HB2  SER  11           HB2      SER  11   4.238   1.068  -5.883
   86    HB3  SER  11           HB1      SER  11   4.620  -0.301  -6.927
   87    HG   SER  11           HG       SER  11   4.089   0.982  -8.715
   88    H    PHE  12           HN       PHE  12   2.203   2.256  -5.480
   89    HA   PHE  12           HA       PHE  12   0.616   3.573  -7.545
   90    HB2  PHE  12           HB2      PHE  12  -1.130   2.635  -6.224
   91    HB3  PHE  12           HB1      PHE  12  -0.311   3.044  -4.722
   92    HD1  PHE  12           HD2      PHE  12  -1.675   4.736  -7.755
   93    HD2  PHE  12           HD1      PHE  12  -1.074   4.854  -3.544
   94    HE1  PHE  12           HE2      PHE  12  -2.944   6.840  -7.638
   95    HE2  PHE  12           HE1      PHE  12  -2.343   6.958  -3.418
   96    HZ   PHE  12           HZ       PHE  12  -3.280   7.954  -5.467
   97    H    SER  13           HN       SER  13   1.670   5.421  -7.903
   98    HA   SER  13           HA       SER  13   3.539   6.546  -6.127
   99    HB2  SER  13           HB2      SER  13   3.925   7.162  -8.329
  100    HB3  SER  13           HB1      SER  13   2.220   7.472  -8.645
  101    HG   SER  13           HG       SER  13   3.020   9.462  -8.461
  102    H    CYS  14           HN       CYS  14   3.196   7.618  -4.309
  103    HA   CYS  14           HA       CYS  14   0.694   8.325  -3.326
  104    HB2  CYS  14           HB2      CYS  14   3.493   8.860  -2.547
  105    HB3  CYS  14           HB1      CYS  14   2.295   9.967  -1.894
  106    HA   PRO  15           HA       PRO  15  -0.138  11.845  -6.028
  107    HB2  PRO  15           HB2      PRO  15  -2.305  12.131  -4.009
  108    HB3  PRO  15           HB1      PRO  15  -2.401  12.144  -5.770
  109    HG2  PRO  15           HG2      PRO  15  -3.188  10.016  -4.373
  110    HG3  PRO  15           HG1      PRO  15  -2.352   9.837  -5.926
  111    HD2  PRO  15           HD2      PRO  15  -1.320   9.424  -3.163
  112    HD3  PRO  15           HD1      PRO  15  -0.910   8.570  -4.659
  113    H    GLY  16           HN       GLY  16   0.739  13.812  -5.864
  114    HA2  GLY  16           HA2      GLY  16   1.069  15.930  -4.911
  115    HA3  GLY  16           HA1      GLY  16   0.541  15.293  -3.362
  116    H    THR  17           HN       THR  17   2.458  12.970  -3.753
  117    HA   THR  17           HA       THR  17   4.941  14.433  -3.150
  118    HB   THR  17           HB       THR  17   5.445  12.537  -1.554
  119    HG1  THR  17           HG1      THR  17   3.590  11.389  -0.825
  120   HG21  THR  17          HG21      THR  17   3.020  14.191  -0.897
  121   HG22  THR  17          HG22      THR  17   4.701  14.682  -0.684
  122   HG23  THR  17          HG23      THR  17   4.046  13.344   0.261
  123    H    HIS  18           HN       HIS  18   6.793  13.697  -4.039
  124    HA   HIS  18           HA       HIS  18   6.753  12.137  -6.339
  125    HB2  HIS  18           HB2      HIS  18   9.260  12.004  -6.001
  126    HB3  HIS  18           HB1      HIS  18   8.581  13.629  -5.998
  127    HD1  HIS  18           HD1      HIS  18  10.420  11.216  -3.854
  128    HD2  HIS  18           HD2      HIS  18   8.509  14.883  -3.463
  129    HE1  HIS  18           HE1      HIS  18  11.149  12.163  -1.626
  130    H    VAL  19           HN       VAL  19   6.844  11.186  -3.033
  131    HA   VAL  19           HA       VAL  19   8.103   8.711  -3.164
  132    HB   VAL  19           HB       VAL  19   7.503   9.750  -1.052
  133   HG11  VAL  19          HG11      VAL  19   5.027  10.155  -2.234
  134   HG12  VAL  19          HG12      VAL  19   5.479  10.528  -0.571
  135   HG13  VAL  19          HG13      VAL  19   4.718   8.983  -0.952
  136   HG21  VAL  19          HG21      VAL  19   7.690   7.204  -1.363
  137   HG22  VAL  19          HG22      VAL  19   5.938   7.195  -1.154
  138   HG23  VAL  19          HG23      VAL  19   6.976   7.812   0.131
  139    H    CYS  20           HN       CYS  20   7.200   6.569  -3.183
  140    HA   CYS  20           HA       CYS  20   4.681   6.349  -4.685
  141    HB2  CYS  20           HB2      CYS  20   5.966   4.175  -5.585
  142    HB3  CYS  20           HB1      CYS  20   6.043   5.732  -6.398
  143    H    VAL  21           HN       VAL  21   3.219   5.331  -3.522
  144    HA   VAL  21           HA       VAL  21   4.060   3.493  -1.420
  145    HB   VAL  21           HB       VAL  21   2.480   5.145  -0.712
  146   HG11  VAL  21          HG11      VAL  21   1.468   5.803  -2.763
  147   HG12  VAL  21          HG12      VAL  21   0.184   5.223  -1.704
  148   HG13  VAL  21          HG13      VAL  21   0.780   4.199  -3.008
  149   HG21  VAL  21          HG21      VAL  21   1.096   2.483  -1.011
  150   HG22  VAL  21          HG22      VAL  21   0.651   3.751   0.131
  151   HG23  VAL  21          HG23      VAL  21   2.210   2.940   0.278
  152    HA   PRO  22           HA       PRO  22   3.313  -0.001  -4.119
  153    HB2  PRO  22           HB2      PRO  22   3.231  -1.463  -1.542
  154    HB3  PRO  22           HB1      PRO  22   4.235  -1.744  -2.968
  155    HG2  PRO  22           HG2      PRO  22   5.269  -0.673  -0.753
  156    HG3  PRO  22           HG1      PRO  22   5.783  -0.133  -2.361
  157    HD2  PRO  22           HD2      PRO  22   3.927   1.182  -0.423
  158    HD3  PRO  22           HD1      PRO  22   5.153   1.908  -1.482
  159    H    GLU  23           HN       GLU  23   1.647  -1.569  -4.490
  160    HA   GLU  23           HA       GLU  23  -0.946  -0.651  -3.927
  161    HB2  GLU  23           HB2      GLU  23   0.102  -2.393  -5.721
  162    HB3  GLU  23           HB1      GLU  23  -0.670  -3.511  -4.606
  163    HG2  GLU  23           HG2      GLU  23  -2.736  -2.004  -4.862
  164    HG3  GLU  23           HG1      GLU  23  -1.911  -1.373  -6.286
  165    H    ARG  24           HN       ARG  24   1.125  -2.926  -2.281
  166    HA   ARG  24           HA       ARG  24  -0.920  -4.091  -0.669
  167    HB2  ARG  24           HB2      ARG  24   0.963  -5.441  -0.803
  168    HB3  ARG  24           HB1      ARG  24   2.073  -4.090  -0.641
  169    HG2  ARG  24           HG2      ARG  24   2.167  -5.491   1.321
  170    HG3  ARG  24           HG1      ARG  24   1.490  -3.919   1.741
  171    HD2  ARG  24           HD2      ARG  24  -0.753  -4.852   1.682
  172    HD3  ARG  24           HD1      ARG  24  -0.108  -6.418   1.205
  173    HE   ARG  24           HE       ARG  24   0.984  -5.432   3.669
  174   HH11  ARG  24          HH11      ARG  24  -1.663  -7.187   2.223
  175   HH12  ARG  24          HH12      ARG  24  -2.059  -8.036   3.679
  176   HH21  ARG  24          HH21      ARG  24   0.465  -6.547   5.585
  177   HH22  ARG  24          HH22      ARG  24  -0.852  -7.672   5.588
  178    H    TRP  25           HN       TRP  25   1.004  -1.214  -0.516
  179    HA   TRP  25           HA       TRP  25   0.368  -0.719   2.269
  180    HB2  TRP  25           HB2      TRP  25   1.830   0.991   0.248
  181    HB3  TRP  25           HB1      TRP  25   1.697   1.337   1.969
  182    HD1  TRP  25           HD1      TRP  25   2.293  -2.290   1.176
  183    HE1  TRP  25           HE1      TRP  25   4.720  -2.918   1.732
  184    HE3  TRP  25           HE3      TRP  25   4.187   2.398   1.955
  185    HZ2  TRP  25           HZ2      TRP  25   7.122  -1.608   2.404
  186    HZ3  TRP  25           HZ3      TRP  25   6.568   2.616   2.549
  187    HH2  TRP  25           HH2      TRP  25   8.000   0.655   2.769
  188    H    LEU  26           HN       LEU  26  -1.507  -0.612  -0.322
  189    HA   LEU  26           HA       LEU  26  -2.582   2.042  -0.180
  190    HB2  LEU  26           HB2      LEU  26  -3.102  -0.410  -1.714
  191    HB3  LEU  26           HB1      LEU  26  -4.516   0.563  -1.403
  192    HG   LEU  26           HG       LEU  26  -3.675   2.393  -2.614
  193   HD11  LEU  26          HD11      LEU  26  -1.155   1.692  -3.579
  194   HD12  LEU  26          HD12      LEU  26  -1.110   1.322  -1.856
  195   HD13  LEU  26          HD13      LEU  26  -1.536   2.946  -2.399
  196   HD21  LEU  26          HD21      LEU  26  -3.307  -0.270  -3.862
  197   HD22  LEU  26          HD22      LEU  26  -2.717   1.137  -4.748
  198   HD23  LEU  26          HD23      LEU  26  -4.415   1.037  -4.281
  199    H    CYS  27           HN       CYS  27  -4.063  -1.122   0.515
  200    HA   CYS  27           HA       CYS  27  -5.713   0.203   2.565
  201    HB2  CYS  27           HB2      CYS  27  -6.496  -2.463   1.498
  202    HB3  CYS  27           HB1      CYS  27  -7.506  -1.122   2.017
  203    H    ASP  28           HN       ASP  28  -3.101  -0.646   3.197
  204    HA   ASP  28           HA       ASP  28  -3.138  -3.242   4.381
  205    HB2  ASP  28           HB2      ASP  28  -0.977  -2.662   5.310
  206    HB3  ASP  28           HB1      ASP  28  -1.051  -2.125   3.636
  207    H    GLY  29           HN       GLY  29  -4.177  -0.115   5.389
  208    HA2  GLY  29           HA2      GLY  29  -5.762  -0.093   7.258
  209    HA3  GLY  29           HA1      GLY  29  -4.680  -1.200   8.089
  210    H    ASP  30           HN       ASP  30  -3.484   1.517   6.266
  211    HA   ASP  30           HA       ASP  30  -3.384   3.403   8.364
  212    HB2  ASP  30           HB2      ASP  30  -1.140   1.472   8.156
  213    HB3  ASP  30           HB1      ASP  30  -0.696   3.164   8.355
  214    H    LYS  31           HN       LYS  31  -3.608   5.149   7.153
  215    HA   LYS  31           HA       LYS  31  -2.995   5.431   4.480
  216    HB2  LYS  31           HB2      LYS  31  -3.275   7.480   6.662
  217    HB3  LYS  31           HB1      LYS  31  -3.059   7.928   4.979
  218    HG2  LYS  31           HG2      LYS  31  -5.103   6.854   4.356
  219    HG3  LYS  31           HG1      LYS  31  -5.280   6.149   5.960
  220    HD2  LYS  31           HD2      LYS  31  -5.600   9.019   5.129
  221    HD3  LYS  31           HD1      LYS  31  -6.765   7.965   5.928
  222    HE2  LYS  31           HE2      LYS  31  -4.906   7.911   7.790
  223    HE3  LYS  31           HE1      LYS  31  -4.441   9.440   7.045
  224    HZ1  LYS  31           HZ1      LYS  31  -6.645  10.292   7.431
  225    HZ2  LYS  31           HZ2      LYS  31  -6.012   9.722   8.892
  226    HZ3  LYS  31           HZ3      LYS  31  -7.162   8.807   8.056
  227    H    ASP  32           HN       ASP  32  -1.001   4.721   3.919
  228    HA   ASP  32           HA       ASP  32   1.419   5.505   5.144
  229    HB2  ASP  32           HB2      ASP  32   0.909   4.440   2.360
  230    HB3  ASP  32           HB1      ASP  32   2.482   4.540   3.141
  231    H    CYS  33           HN       CYS  33  -0.272   6.640   2.231
  232    HA   CYS  33           HA       CYS  33   1.636   8.501   1.389
  233    HB2  CYS  33           HB2      CYS  33  -1.333   8.269   1.012
  234    HB3  CYS  33           HB1      CYS  33  -0.488   9.692   0.425
  235    H    ALA  34           HN       ALA  34   0.649  10.973   1.252
  236    HA   ALA  34           HA       ALA  34   1.010  11.939   3.936
  237    HB1  ALA  34           HB1      ALA  34   0.407  13.528   1.453
  238    HB2  ALA  34           HB2      ALA  34   2.023  13.009   1.932
  239    HB3  ALA  34           HB3      ALA  34   1.112  14.118   2.958
  240    H    ASP  35           HN       ASP  35  -1.646  11.682   1.646
  241    HA   ASP  35           HA       ASP  35  -3.459  12.672   3.748
  242    HB2  ASP  35           HB2      ASP  35  -3.343  13.309   0.838
  243    HB3  ASP  35           HB1      ASP  35  -4.928  13.212   1.598
  244    H    GLY  36           HN       GLY  36  -2.661   9.946   3.340
  245    HA2  GLY  36           HA2      GLY  36  -3.621   7.862   3.267
  246    HA3  GLY  36           HA1      GLY  36  -5.163   8.678   3.454
  247    H    ALA  37           HN       ALA  37  -3.227   9.525   0.742
  248    HA   ALA  37           HA       ALA  37  -5.174   8.937  -1.149
  249    HB1  ALA  37           HB1      ALA  37  -3.522  10.408  -1.858
  250    HB2  ALA  37           HB2      ALA  37  -3.167   8.938  -2.765
  251    HB3  ALA  37           HB3      ALA  37  -2.214   9.344  -1.336
  252    H    ASP  38           HN       ASP  38  -2.660   6.940   0.223
  253    HA   ASP  38           HA       ASP  38  -2.787   4.809  -1.633
  254    HB2  ASP  38           HB2      ASP  38  -1.598   3.519   0.063
  255    HB3  ASP  38           HB1      ASP  38  -0.919   5.136  -0.040
  256    H    GLU  39           HN       GLU  39  -4.458   5.498   1.400
  257    HA   GLU  39           HA       GLU  39  -5.987   3.050   1.312
  258    HB2  GLU  39           HB2      GLU  39  -6.277   5.493   3.067
  259    HB3  GLU  39           HB1      GLU  39  -7.161   3.989   3.277
  260    HG2  GLU  39           HG2      GLU  39  -4.304   3.554   3.163
  261    HG3  GLU  39           HG1      GLU  39  -4.756   4.678   4.443
  262    H    SER  40           HN       SER  40  -6.264   6.270   0.138
  263    HA   SER  40           HA       SER  40  -9.087   6.386  -0.119
  264    HB2  SER  40           HB2      SER  40  -6.844   7.891  -1.470
  265    HB3  SER  40           HB1      SER  40  -8.545   8.216  -1.801
  266    HG   SER  40           HG       SER  40  -8.576   9.355  -0.049
  267    H    ILE  41           HN       ILE  41 -10.156   6.564  -2.286
  268    HA   ILE  41           HA       ILE  41  -9.792   4.129  -3.695
  269    HB   ILE  41           HB       ILE  41 -11.977   5.267  -3.384
  270   HG12  ILE  41          HG12      ILE  41 -12.626   4.972  -5.903
  271   HG13  ILE  41          HG11      ILE  41 -10.968   4.409  -6.062
  272   HG21  ILE  41          HG21      ILE  41 -12.606   7.117  -4.792
  273   HG22  ILE  41          HG22      ILE  41 -11.012   7.122  -5.548
  274   HG23  ILE  41          HG23      ILE  41 -11.183   7.553  -3.846
  275   HD11  ILE  41          HD11      ILE  41 -13.249   2.993  -5.155
  276   HD12  ILE  41          HD12      ILE  41 -12.094   3.107  -3.826
  277   HD13  ILE  41          HD13      ILE  41 -11.598   2.411  -5.370
  278    H    ALA  42           HN       ALA  42  -8.595   7.344  -4.096
  279    HA   ALA  42           HA       ALA  42  -8.074   7.556  -6.783
  280    HB1  ALA  42           HB1      ALA  42  -7.452   9.441  -5.661
  281    HB2  ALA  42           HB2      ALA  42  -5.866   8.699  -5.870
  282    HB3  ALA  42           HB3      ALA  42  -6.717   8.541  -4.332
  283    H    ALA  43           HN       ALA  43  -6.562   5.491  -4.432
  284    HA   ALA  43           HA       ALA  43  -4.433   4.709  -6.266
  285    HB1  ALA  43           HB1      ALA  43  -4.154   5.093  -3.740
  286    HB2  ALA  43           HB2      ALA  43  -3.404   3.663  -4.450
  287    HB3  ALA  43           HB3      ALA  43  -4.920   3.516  -3.560
  288    H    GLY  44           HN       GLY  44  -7.501   3.609  -5.094
  289    HA2  GLY  44           HA2      GLY  44  -8.702   1.994  -6.452
  290    HA3  GLY  44           HA1      GLY  44  -7.178   1.150  -6.690
  291    H    CYS  45           HN       CYS  45  -8.335   2.445  -3.634
  292    HA   CYS  45           HA       CYS  45  -8.028  -0.148  -2.405
  293    HB2  CYS  45           HB2      CYS  45  -8.153   2.617  -1.524
  294    HB3  CYS  45           HB1      CYS  45  -9.146   1.574  -0.512
  295    H    LEU  46           HN       LEU  46 -10.469   1.152  -4.157
  296    HA   LEU  46           HA       LEU  46 -12.662   0.628  -4.440
  297    HB2  LEU  46           HB2      LEU  46 -12.367  -1.479  -2.319
  298    HB3  LEU  46           HB1      LEU  46 -13.491  -1.446  -3.661
  299    HG   LEU  46           HG       LEU  46 -12.041  -2.972  -4.495
  300   HD11  LEU  46          HD11      LEU  46 -10.209  -0.728  -5.201
  301   HD12  LEU  46          HD12      LEU  46 -11.864  -0.728  -5.808
  302   HD13  LEU  46          HD13      LEU  46 -10.784  -2.068  -6.193
  303   HD21  LEU  46          HD21      LEU  46 -10.543  -2.320  -2.293
  304   HD22  LEU  46          HD22      LEU  46  -9.458  -1.932  -3.629
  305   HD23  LEU  46          HD23      LEU  46 -10.138  -3.553  -3.486
  306    H    TYR  47           HN       TYR  47 -11.587   2.303  -2.070
  307    HA   TYR  47           HA       TYR  47 -14.069   3.194  -1.139
  308    HB2  TYR  47           HB2      TYR  47 -14.111   2.410   1.136
  309    HB3  TYR  47           HB1      TYR  47 -14.012   1.010   0.076
  310    HD1  TYR  47           HD1      TYR  47 -12.037   3.191   2.323
  311    HD2  TYR  47           HD2      TYR  47 -12.211  -0.509   0.233
  312    HE1  TYR  47           HE1      TYR  47 -10.047   2.418   3.540
  313    HE2  TYR  47           HE2      TYR  47 -10.221  -1.296   1.443
  314    HH   TYR  47           HH       TYR  47  -9.169  -0.535   3.940
  315    H    ASN  48           HN       ASN  48 -13.702   4.564   0.997
  316    HA   ASN  48           HA       ASN  48 -11.167   5.516   1.666
  317    HB2  ASN  48           HB2      ASN  48 -11.010   6.319  -0.617
  318    HB3  ASN  48           HB1      ASN  48 -12.557   7.139  -0.469
  319   HD21  ASN  48          HD21      ASN  48  -9.774   6.980   1.714
  320   HD22  ASN  48          HD22      ASN  48  -9.502   8.684   1.770
  321    H    SER  49           HN       SER  49 -12.032   5.598   3.713
  322    HA   SER  49           HA       SER  49 -13.228   7.999   4.536
  323    HB2  SER  49           HB2      SER  49 -15.223   6.924   3.446
  324    HB3  SER  49           HB1      SER  49 -15.130   5.654   4.665
  325    HG   SER  49           HG       SER  49 -15.462   7.234   6.256
  326    H    THR  50           HN       THR  50 -13.933   4.716   5.709
  327    HA   THR  50           HA       THR  50 -11.927   4.892   7.765
  328    HB   THR  50           HB       THR  50 -13.439   4.809   9.658
  329    HG1  THR  50           HG1      THR  50 -15.550   4.623   9.455
  330   HG21  THR  50          HG21      THR  50 -12.831   7.059   8.812
  331   HG22  THR  50          HG22      THR  50 -14.369   7.000   9.672
  332   HG23  THR  50          HG23      THR  50 -14.346   7.076   7.910
  333    H    GLY  51           HN       GLY  51 -15.063   3.227   7.414
  334    HA2  GLY  51           HA2      GLY  51 -15.560   0.999   7.142
  335    HA3  GLY  51           HA1      GLY  51 -13.901   0.759   6.614
  336    H    SER  52           HN       SER  52 -15.535  -0.945   8.319
  337    HA   SER  52           HA       SER  52 -14.886  -0.715  11.027
  338    HB2  SER  52           HB2      SER  52 -15.457  -3.168   9.351
  339    HB3  SER  52           HB1      SER  52 -15.326  -3.190  11.109
  340    HG   SER  52           HG       SER  52 -17.304  -2.518  11.181
  341    H    GLY  53           HN       GLY  53 -13.051  -1.909   8.315
  342    HA2  GLY  53           HA2      GLY  53 -10.585  -1.711   9.645
  343    HA3  GLY  53           HA1      GLY  53 -11.098  -3.391   9.682
  344    H    SER  54           HN       SER  54 -12.402  -3.411   7.143
  345    HA   SER  54           HA       SER  54 -10.308  -2.722   5.231
  346    HB2  SER  54           HB2      SER  54 -10.165  -4.955   4.316
  347    HB3  SER  54           HB1      SER  54  -9.821  -5.034   6.044
  348    HG   SER  54           HG       SER  54 -12.299  -5.643   4.797
  349    H    GLY  55           HN       GLY  55 -11.712  -1.262   4.270
  350    HA2  GLY  55           HA2      GLY  55 -14.393  -1.712   3.622
  351    HA3  GLY  55           HA1      GLY  55 -13.338  -0.568   2.808
  352    H    SER  56           HN       SER  56 -15.431  -2.191   1.652
  353    HA   SER  56           HA       SER  56 -15.762  -3.214  -0.360
  354    HB2  SER  56           HB2      SER  56 -13.281  -2.139  -0.710
  355    HB3  SER  56           HB1      SER  56 -12.946  -3.854  -0.942
  356    HG   SER  56           HG       SER  56 -14.116  -3.859  -2.719
  357    H    GLY  57           HN       GLY  57 -14.681  -4.581   2.353
  358    HA2  GLY  57           HA2      GLY  57 -14.828  -6.745   3.122
  359    HA3  GLY  57           HA1      GLY  57 -15.431  -7.208   1.539
  360    H    SER 129           HN       SER 129 -14.224  -9.100   1.483
  361    HA   SER 129           HA       SER 129 -11.521  -9.393   2.033
  362    HB2  SER 129           HB2      SER 129 -12.784 -10.906  -0.231
  363    HB3  SER 129           HB1      SER 129 -11.659 -11.479   1.000
  364    HG   SER 129           HG       SER 129 -13.279 -11.887   2.282
  365    H    THR 130           HN       THR 130 -13.088  -8.081  -0.801
  366    HA   THR 130           HA       THR 130 -11.129  -8.245  -2.718
  367    HB   THR 130           HB       THR 130 -12.474  -5.609  -2.450
  368    HG1  THR 130           HG1      THR 130 -14.186  -6.730  -1.781
  369   HG21  THR 130          HG21      THR 130 -13.210  -6.850  -4.818
  370   HG22  THR 130          HG22      THR 130 -11.528  -7.317  -4.565
  371   HG23  THR 130          HG23      THR 130 -11.974  -5.610  -4.603
  372    H    GLU 131           HN       GLU 131 -11.167  -6.292   0.157
  373    HA   GLU 131           HA       GLU 131  -9.209  -4.402  -0.542
  374    HB2  GLU 131           HB2      GLU 131 -10.754  -4.380   1.479
  375    HB3  GLU 131           HB1      GLU 131  -9.639  -5.512   2.229
  376    HG2  GLU 131           HG2      GLU 131  -8.384  -3.105   1.129
  377    HG3  GLU 131           HG1      GLU 131  -9.505  -2.818   2.460
  378    H    GLU 132           HN       GLU 132  -8.772  -7.192   1.635
  379    HA   GLU 132           HA       GLU 132  -5.962  -7.131   1.529
  380    HB2  GLU 132           HB2      GLU 132  -7.540  -9.631   2.083
  381    HB3  GLU 132           HB1      GLU 132  -5.996  -9.137   2.763
  382    HG2  GLU 132           HG2      GLU 132  -7.967  -7.182   3.418
  383    HG3  GLU 132           HG1      GLU 132  -8.575  -8.782   3.836
  384    H    LEU 133           HN       LEU 133  -8.345  -8.568  -0.546
  385    HA   LEU 133           HA       LEU 133  -6.958 -10.582  -1.800
  386    HB2  LEU 133           HB2      LEU 133  -9.173  -8.793  -2.506
  387    HB3  LEU 133           HB1      LEU 133  -8.320  -9.457  -3.885
  388    HG   LEU 133           HG       LEU 133  -8.789 -11.713  -3.162
  389   HD11  LEU 133          HD11      LEU 133  -9.446 -12.317  -1.107
  390   HD12  LEU 133          HD12      LEU 133 -10.591 -10.984  -0.972
  391   HD13  LEU 133          HD13      LEU 133  -8.882 -10.715  -0.633
  392   HD21  LEU 133          HD21      LEU 133 -10.894 -11.720  -3.952
  393   HD22  LEU 133          HD22      LEU 133 -10.611  -9.995  -4.183
  394   HD23  LEU 133          HD23      LEU 133 -11.462 -10.565  -2.747
  395    H    ARG 134           HN       ARG 134  -7.321  -7.402  -3.358
  396    HA   ARG 134           HA       ARG 134  -5.109  -7.772  -5.069
  397    HB2  ARG 134           HB2      ARG 134  -5.418  -5.463  -5.702
  398    HB3  ARG 134           HB1      ARG 134  -6.994  -6.219  -5.519
  399    HG2  ARG 134           HG2      ARG 134  -6.892  -5.236  -3.114
  400    HG3  ARG 134           HG1      ARG 134  -5.668  -4.169  -3.803
  401    HD2  ARG 134           HD2      ARG 134  -8.584  -4.330  -4.348
  402    HD3  ARG 134           HD1      ARG 134  -7.546  -2.917  -4.170
  403    HE   ARG 134           HE       ARG 134  -8.238  -4.221  -6.592
  404   HH11  ARG 134          HH11      ARG 134  -5.600  -2.572  -5.012
  405   HH12  ARG 134          HH12      ARG 134  -4.875  -2.050  -6.495
  406   HH21  ARG 134          HH21      ARG 134  -7.286  -3.538  -8.542
  407   HH22  ARG 134          HH22      ARG 134  -5.831  -2.599  -8.500
  408    H    VAL 135           HN       VAL 135  -5.471  -6.216  -1.946
  409    HA   VAL 135           HA       VAL 135  -2.953  -4.949  -1.858
  410    HB   VAL 135           HB       VAL 135  -4.775  -5.863   0.370
  411   HG11  VAL 135          HG11      VAL 135  -2.429  -3.978   0.543
  412   HG12  VAL 135          HG12      VAL 135  -2.463  -5.626   1.171
  413   HG13  VAL 135          HG13      VAL 135  -3.534  -4.401   1.850
  414   HG21  VAL 135          HG21      VAL 135  -5.876  -3.913   0.160
  415   HG22  VAL 135          HG22      VAL 135  -5.218  -3.934  -1.477
  416   HG23  VAL 135          HG23      VAL 135  -4.409  -3.008  -0.214
  417    H    ARG 136           HN       ARG 136  -3.902  -8.242  -1.390
  418    HA   ARG 136           HA       ARG 136  -1.681  -9.037   0.213
  419    HB2  ARG 136           HB2      ARG 136  -3.931 -10.361  -1.153
  420    HB3  ARG 136           HB1      ARG 136  -2.480 -11.342  -0.999
  421    HG2  ARG 136           HG2      ARG 136  -2.635 -11.471   1.263
  422    HG3  ARG 136           HG1      ARG 136  -3.424  -9.900   1.411
  423    HD2  ARG 136           HD2      ARG 136  -5.119 -11.401   1.941
  424    HD3  ARG 136           HD1      ARG 136  -5.418 -11.032   0.243
  425    HE   ARG 136           HE       ARG 136  -5.045 -13.225  -0.238
  426   HH11  ARG 136          HH11      ARG 136  -3.550 -12.519   2.836
  427   HH12  ARG 136          HH12      ARG 136  -3.108 -14.166   3.140
  428   HH21  ARG 136          HH21      ARG 136  -4.466 -15.389   0.160
  429   HH22  ARG 136          HH22      ARG 136  -3.627 -15.795   1.620
  430    H    LEU 137           HN       LEU 137  -2.430  -9.428  -3.244
  431    HA   LEU 137           HA       LEU 137  -0.210 -10.791  -4.085
  432    HB2  LEU 137           HB2      LEU 137  -2.109 -10.217  -5.524
  433    HB3  LEU 137           HB1      LEU 137  -1.604  -8.540  -5.533
  434    HG   LEU 137           HG       LEU 137  -1.049  -9.953  -7.585
  435   HD11  LEU 137          HD11      LEU 137   0.451  -8.382  -8.069
  436   HD12  LEU 137          HD12      LEU 137   1.530  -8.891  -6.770
  437   HD13  LEU 137          HD13      LEU 137   0.197  -7.789  -6.428
  438   HD21  LEU 137          HD21      LEU 137   1.033 -11.018  -5.681
  439   HD22  LEU 137          HD22      LEU 137   1.055 -11.231  -7.431
  440   HD23  LEU 137          HD23      LEU 137  -0.244 -11.941  -6.473
  441    H    ALA 138           HN       ALA 138  -0.378  -7.469  -3.062
  442    HA   ALA 138           HA       ALA 138   2.231  -6.834  -4.160
  443    HB1  ALA 138           HB1      ALA 138   0.762  -5.029  -4.281
  444    HB2  ALA 138           HB2      ALA 138   1.818  -4.641  -2.924
  445    HB3  ALA 138           HB3      ALA 138   0.194  -5.260  -2.627
  446    H    SER 139           HN       SER 139   0.869  -7.880  -1.146
  447    HA   SER 139           HA       SER 139   3.043  -7.046   0.504
  448    HB2  SER 139           HB2      SER 139   1.504  -7.515   2.058
  449    HB3  SER 139           HB1      SER 139   0.497  -8.330   0.864
  450    HG   SER 139           HG       SER 139   2.271  -9.382   2.716
  451    H    HIS 140           HN       HIS 140   2.821  -9.428  -1.829
  452    HA   HIS 140           HA       HIS 140   4.111 -11.628  -0.770
  453    HB2  HIS 140           HB2      HIS 140   4.786 -12.163  -3.055
  454    HB3  HIS 140           HB1      HIS 140   3.127 -11.580  -3.017
  455    HD1  HIS 140           HD1      HIS 140   4.196  -8.466  -2.887
  456    HD2  HIS 140           HD2      HIS 140   5.037 -11.385  -5.714
  457    HE1  HIS 140           HE1      HIS 140   4.881  -7.240  -4.986
  458    H    LEU 141           HN       LEU 141   5.432  -8.501  -1.504
  459    HA   LEU 141           HA       LEU 141   8.043  -9.444  -0.563
  460    HB2  LEU 141           HB2      LEU 141   8.241  -9.425  -2.965
  461    HB3  LEU 141           HB1      LEU 141   7.578  -7.804  -3.048
  462    HG   LEU 141           HG       LEU 141   9.802  -7.584  -1.363
  463   HD11  LEU 141          HD11      LEU 141  11.626  -8.555  -2.560
  464   HD12  LEU 141          HD12      LEU 141  10.547  -9.155  -3.820
  465   HD13  LEU 141          HD13      LEU 141  10.466  -9.831  -2.192
  466   HD21  LEU 141          HD21      LEU 141   9.119  -5.857  -2.862
  467   HD22  LEU 141          HD22      LEU 141   9.381  -6.894  -4.265
  468   HD23  LEU 141          HD23      LEU 141  10.755  -6.340  -3.308
  469    H    ARG 142           HN       ARG 142   6.210  -6.556  -1.533
  470    HA   ARG 142           HA       ARG 142   7.577  -4.532  -0.425
  471    HB2  ARG 142           HB2      ARG 142   4.587  -4.886  -0.180
  472    HB3  ARG 142           HB1      ARG 142   5.454  -3.362  -0.052
  473    HG2  ARG 142           HG2      ARG 142   5.151  -5.102  -2.483
  474    HG3  ARG 142           HG1      ARG 142   4.515  -3.478  -2.227
  475    HD2  ARG 142           HD2      ARG 142   7.132  -3.012  -1.836
  476    HD3  ARG 142           HD1      ARG 142   7.237  -4.364  -2.962
  477    HE   ARG 142           HE       ARG 142   6.544  -1.701  -3.593
  478   HH11  ARG 142          HH11      ARG 142   5.690  -4.992  -4.384
  479   HH12  ARG 142          HH12      ARG 142   5.148  -4.598  -5.980
  480   HH21  ARG 142          HH21      ARG 142   5.838  -1.184  -5.691
  481   HH22  ARG 142          HH22      ARG 142   5.231  -2.436  -6.723
  482    H    LYS 143           HN       LYS 143   4.879  -5.842   1.510
  483    HA   LYS 143           HA       LYS 143   6.140  -4.909   3.923
  484    HB2  LYS 143           HB2      LYS 143   3.573  -6.401   3.400
  485    HB3  LYS 143           HB1      LYS 143   4.120  -5.981   5.018
  486    HG2  LYS 143           HG2      LYS 143   3.430  -4.085   2.787
  487    HG3  LYS 143           HG1      LYS 143   2.529  -4.350   4.280
  488    HD2  LYS 143           HD2      LYS 143   4.569  -3.567   5.527
  489    HD3  LYS 143           HD1      LYS 143   5.254  -3.100   3.970
  490    HE2  LYS 143           HE2      LYS 143   4.279  -1.118   4.393
  491    HE3  LYS 143           HE1      LYS 143   2.814  -1.923   3.835
  492    HZ1  LYS 143           HZ1      LYS 143   3.694  -1.580   6.648
  493    HZ2  LYS 143           HZ2      LYS 143   2.370  -2.522   6.179
  494    HZ3  LYS 143           HZ3      LYS 143   2.360  -0.854   5.901
  495    H    LEU 144           HN       LEU 144   5.818  -7.951   2.247
  496    HA   LEU 144           HA       LEU 144   6.493  -9.621   4.443
  497    HB2  LEU 144           HB2      LEU 144   6.320  -9.950   1.493
  498    HB3  LEU 144           HB1      LEU 144   7.247 -11.138   2.388
  499    HG   LEU 144           HG       LEU 144   4.384 -10.453   3.038
  500   HD11  LEU 144          HD11      LEU 144   5.462 -12.037   0.869
  501   HD12  LEU 144          HD12      LEU 144   3.799 -11.549   1.194
  502   HD13  LEU 144          HD13      LEU 144   4.454 -13.002   1.948
  503   HD21  LEU 144          HD21      LEU 144   5.572 -13.064   3.708
  504   HD22  LEU 144          HD22      LEU 144   4.478 -12.038   4.636
  505   HD23  LEU 144          HD23      LEU 144   6.205 -11.680   4.598
  506    H    ARG 145           HN       ARG 145   8.467  -9.147   1.519
  507    HA   ARG 145           HA       ARG 145  10.880  -9.779   2.881
  508    HB2  ARG 145           HB2      ARG 145  10.070  -9.075   0.150
  509    HB3  ARG 145           HB1      ARG 145  11.673  -8.497   0.579
  510    HG2  ARG 145           HG2      ARG 145  11.663 -10.719  -0.509
  511    HG3  ARG 145           HG1      ARG 145  12.410 -10.714   1.089
  512    HD2  ARG 145           HD2      ARG 145  10.382 -11.624   2.066
  513    HD3  ARG 145           HD1      ARG 145   9.576 -11.565   0.499
  514    HE   ARG 145           HE       ARG 145  11.720 -13.109  -0.007
  515   HH11  ARG 145          HH11      ARG 145   9.291 -13.215   2.497
  516   HH12  ARG 145          HH12      ARG 145   9.380 -14.933   2.684
  517   HH21  ARG 145          HH21      ARG 145  11.837 -15.368   0.236
  518   HH22  ARG 145          HH22      ARG 145  10.827 -16.157   1.401
  519    H    LYS 146           HN       LYS 146  10.624  -6.836   0.959
  520    HA   LYS 146           HA       LYS 146  11.006  -4.643   1.423
  521    HB2  LYS 146           HB2      LYS 146   9.550  -5.067   3.425
  522    HB3  LYS 146           HB1      LYS 146  11.014  -5.370   4.348
  523    HG2  LYS 146           HG2      LYS 146  10.272  -3.122   4.734
  524    HG3  LYS 146           HG1      LYS 146  11.782  -3.088   3.822
  525    HD2  LYS 146           HD2      LYS 146  10.655  -2.565   1.804
  526    HD3  LYS 146           HD1      LYS 146   9.079  -2.925   2.511
  527    HE2  LYS 146           HE2      LYS 146  10.898  -0.677   3.368
  528    HE3  LYS 146           HE1      LYS 146   9.508  -0.506   2.299
  529    HZ1  LYS 146           HZ1      LYS 146   9.490  -1.305   5.154
  530    HZ2  LYS 146           HZ2      LYS 146   8.133  -1.414   4.150
  531    HZ3  LYS 146           HZ3      LYS 146   8.826   0.095   4.474
  532    H    ARG 147           HN       ARG 147  13.095  -7.134   2.206
  533    HA   ARG 147           HA       ARG 147  15.357  -7.253   2.229
  534    HB2  ARG 147           HB2      ARG 147  16.083  -5.774   0.724
  535    HB3  ARG 147           HB1      ARG 147  14.862  -4.601   1.170
  536    HG2  ARG 147           HG2      ARG 147  17.012  -4.740   3.126
  537    HG3  ARG 147           HG1      ARG 147  17.586  -4.356   1.505
  538    HD2  ARG 147           HD2      ARG 147  16.450  -2.381   1.416
  539    HD3  ARG 147           HD1      ARG 147  15.173  -2.945   2.487
  540    HE   ARG 147           HE       ARG 147  16.391  -2.217   4.296
  541   HH11  ARG 147          HH11      ARG 147  18.391  -2.124   1.436
  542   HH12  ARG 147          HH12      ARG 147  19.650  -1.212   2.196
  543   HH21  ARG 147          HH21      ARG 147  18.043  -1.017   5.294
  544   HH22  ARG 147          HH22      ARG 147  19.455  -0.586   4.389
  545    H    LEU 148           HN       LEU 148  13.773  -4.944   4.322
  546    HA   LEU 148           HA       LEU 148  15.217  -5.919   6.578
  547    HB2  LEU 148           HB2      LEU 148  16.503  -3.913   5.243
  548    HB3  LEU 148           HB1      LEU 148  15.576  -3.007   6.423
  549    HG   LEU 148           HG       LEU 148  16.603  -4.342   8.232
  550   HD11  LEU 148          HD11      LEU 148  18.662  -5.662   7.582
  551   HD12  LEU 148          HD12      LEU 148  18.049  -5.618   5.929
  552   HD13  LEU 148          HD13      LEU 148  17.106  -6.397   7.198
  553   HD21  LEU 148          HD21      LEU 148  17.752  -2.383   8.039
  554   HD22  LEU 148          HD22      LEU 148  18.188  -2.674   6.355
  555   HD23  LEU 148          HD23      LEU 148  19.047  -3.514   7.646
  556    H    LEU 149           HN       LEU 149  14.753  -3.676   8.277
  557    HA   LEU 149           HA       LEU 149  12.127  -4.134   9.071
  558    HB2  LEU 149           HB2      LEU 149  12.414  -2.411  10.657
  559    HB3  LEU 149           HB1      LEU 149  13.988  -3.151  10.453
  560    HG   LEU 149           HG       LEU 149  14.463  -0.875  10.546
  561   HD11  LEU 149          HD11      LEU 149  15.564  -1.888   8.641
  562   HD12  LEU 149          HD12      LEU 149  15.149  -0.210   8.288
  563   HD13  LEU 149          HD13      LEU 149  14.176  -1.519   7.617
  564   HD21  LEU 149          HD21      LEU 149  13.086   0.817   9.981
  565   HD22  LEU 149          HD22      LEU 149  11.861  -0.451  10.023
  566   HD23  LEU 149          HD23      LEU 149  12.568   0.042   8.484
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   5.831  10.438   8.727
    2    H2   GLY   1           HT2      GLY   1   5.200  11.995   8.532
    3    H3   GLY   1           HT3      GLY   1   5.834  11.167   7.200
    4    HA2  GLY   1           HA1      GLY   1   3.265  10.822   8.563
    5    HA3  GLY   1           HA2      GLY   1   3.619  10.830   6.842
    6    H    SER   2           HN       SER   2   5.917   8.940   7.357
    7    HA   SER   2           HA       SER   2   4.966   6.541   8.458
    8    HB2  SER   2           HB2      SER   2   4.386   5.266   6.469
    9    HB3  SER   2           HB1      SER   2   3.350   6.689   6.569
   10    HG   SER   2           HG       SER   2   4.063   6.642   4.501
   11    H    LYS   2           HN       LYS   2   6.159   4.634   6.913
   12    HA   LYS   2           HA       LYS   2   8.974   5.400   7.117
   13    HB2  LYS   2           HB2      LYS   2   7.891   2.623   6.670
   14    HB3  LYS   2           HB1      LYS   2   9.472   3.082   7.287
   15    HG2  LYS   2           HG2      LYS   2   8.645   2.756   9.319
   16    HG3  LYS   2           HG1      LYS   2   7.705   4.229   9.079
   17    HD2  LYS   2           HD2      LYS   2   6.533   1.819   7.880
   18    HD3  LYS   2           HD1      LYS   2   6.648   1.783   9.640
   19    HE2  LYS   2           HE2      LYS   2   5.711   4.340   9.008
   20    HE3  LYS   2           HE1      LYS   2   4.830   3.244   7.945
   21    HZ1  LYS   2           HZ1      LYS   2   3.816   2.216   9.689
   22    HZ2  LYS   2           HZ2      LYS   2   3.986   3.763  10.351
   23    HZ3  LYS   2           HZ3      LYS   2   5.071   2.538  10.778
   24    H    LEU   2           HN       LEU   2   7.263   6.206   4.872
   25    HA   LEU   2           HA       LEU   2   7.901   4.618   2.598
   26    HB2  LEU   2           HB2      LEU   2   6.415   7.033   3.187
   27    HB3  LEU   2           HB1      LEU   2   7.348   7.211   1.713
   28    HG   LEU   2           HG       LEU   2   6.290   5.125   0.849
   29   HD11  LEU   2          HD11      LEU   2   5.704   4.455   3.317
   30   HD12  LEU   2          HD12      LEU   2   4.664   3.971   1.977
   31   HD13  LEU   2          HD13      LEU   2   4.224   5.353   2.980
   32   HD21  LEU   2          HD21      LEU   2   5.271   7.705   0.975
   33   HD22  LEU   2          HD22      LEU   2   3.904   6.671   1.393
   34   HD23  LEU   2          HD23      LEU   2   4.767   6.422  -0.125
   35    H    GLU   3           HN       GLU   3  10.052   4.313   2.285
   36    HA   GLU   3           HA       GLU   3  11.615   6.695   1.592
   37    HB2  GLU   3           HB2      GLU   3  13.619   5.495   2.654
   38    HB3  GLU   3           HB1      GLU   3  12.469   6.272   3.735
   39    HG2  GLU   3           HG2      GLU   3  11.518   4.215   4.367
   40    HG3  GLU   3           HG1      GLU   3  12.314   3.356   3.049
   41    H    GLY   4           HN       GLY   4  11.098   6.036  -0.584
   42    HA2  GLY   4           HA2      GLY   4  11.688   5.084  -2.591
   43    HA3  GLY   4           HA1      GLY   4  13.139   4.500  -1.788
   44    H    LYS   5           HN       LYS   5  10.965   3.340  -3.684
   45    HA   LYS   5           HA       LYS   5  10.979   0.728  -2.418
   46    HB2  LYS   5           HB2      LYS   5   8.603   2.400  -2.588
   47    HB3  LYS   5           HB1      LYS   5   8.375   0.844  -3.372
   48    HG2  LYS   5           HG2      LYS   5   9.681   0.435  -0.868
   49    HG3  LYS   5           HG1      LYS   5   8.261   1.453  -0.623
   50    HD2  LYS   5           HD2      LYS   5   7.042  -0.408  -0.654
   51    HD3  LYS   5           HD1      LYS   5   7.402  -0.528  -2.376
   52    HE2  LYS   5           HE2      LYS   5   8.613  -1.973  -0.069
   53    HE3  LYS   5           HE1      LYS   5   8.074  -2.595  -1.625
   54    HZ1  LYS   5           HZ1      LYS   5  10.644  -1.482  -0.864
   55    HZ2  LYS   5           HZ2      LYS   5  10.078  -1.020  -2.388
   56    HZ3  LYS   5           HZ3      LYS   5  10.272  -2.659  -2.021
   57    H    THR   6           HN       THR   6   9.355  -0.662  -4.101
   58    HA   THR   6           HA       THR   6  10.965  -0.814  -6.457
   59    HB   THR   6           HB       THR   6  10.130  -2.840  -5.434
   60    HG1  THR   6           HG1      THR   6  10.371  -2.820  -7.718
   61   HG21  THR   6          HG21      THR   6   7.987  -1.924  -4.569
   62   HG22  THR   6          HG22      THR   6   7.844  -3.485  -5.375
   63   HG23  THR   6          HG23      THR   6   7.350  -2.013  -6.211
   64    H    CYS   7           HN       CYS   7   7.530  -0.063  -5.882
   65    HA   CYS   7           HA       CYS   7   5.944   0.879  -7.224
   66    HB2  CYS   7           HB2      CYS   7   7.655   2.702  -8.684
   67    HB3  CYS   7           HB1      CYS   7   6.439   3.055  -7.467
   68    H    GLY   8           HN       GLY   8   6.031  -1.284  -8.415
   69    HA2  GLY   8           HA2      GLY   8   6.279  -0.694 -11.255
   70    HA3  GLY   8           HA1      GLY   8   7.311  -1.979 -10.653
   71    HA   PRO   9           HA       PRO   9   4.236  -5.042 -11.284
   72    HB2  PRO   9           HB2      PRO   9   4.164  -6.291  -8.794
   73    HB3  PRO   9           HB1      PRO   9   5.290  -6.665 -10.100
   74    HG2  PRO   9           HG2      PRO   9   5.683  -4.945  -7.692
   75    HG3  PRO   9           HG1      PRO   9   6.823  -6.052  -8.482
   76    HD2  PRO   9           HD2      PRO   9   7.005  -3.403  -8.813
   77    HD3  PRO   9           HD1      PRO   9   7.337  -4.521 -10.154
   78    H    SER  10           HN       SER  10   3.590  -4.693  -7.831
   79    HA   SER  10           HA       SER  10   0.965  -3.551  -8.512
   80    HB2  SER  10           HB2      SER  10  -0.133  -5.090  -7.249
   81    HB3  SER  10           HB1      SER  10   1.311  -6.059  -7.527
   82    HG   SER  10           HG       SER  10   0.391  -4.877  -5.221
   83    H    SER  11           HN       SER  11   1.883  -1.472  -8.188
   84    HA   SER  11           HA       SER  11   2.001  -0.739  -5.356
   85    HB2  SER  11           HB2      SER  11   4.089  -0.204  -7.441
   86    HB3  SER  11           HB1      SER  11   3.851   0.947  -6.126
   87    HG   SER  11           HG       SER  11   5.039  -1.503  -6.099
   88    H    PHE  12           HN       PHE  12   1.973   1.721  -5.136
   89    HA   PHE  12           HA       PHE  12   0.401   3.006  -7.246
   90    HB2  PHE  12           HB2      PHE  12  -1.325   2.238  -5.817
   91    HB3  PHE  12           HB1      PHE  12  -0.418   2.652  -4.368
   92    HD1  PHE  12           HD2      PHE  12  -1.784   4.342  -7.406
   93    HD2  PHE  12           HD1      PHE  12  -1.084   4.507  -3.212
   94    HE1  PHE  12           HE2      PHE  12  -2.947   6.508  -7.301
   95    HE2  PHE  12           HE1      PHE  12  -2.246   6.673  -3.099
   96    HZ   PHE  12           HZ       PHE  12  -3.179   7.675  -5.145
   97    H    SER  13           HN       SER  13   1.275   4.926  -7.710
   98    HA   SER  13           HA       SER  13   3.375   6.045  -6.183
   99    HB2  SER  13           HB2      SER  13   3.429   6.547  -8.483
  100    HB3  SER  13           HB1      SER  13   1.741   7.051  -8.499
  101    HG   SER  13           HG       SER  13   3.913   8.406  -7.276
  102    H    CYS  14           HN       CYS  14   3.262   7.192  -4.383
  103    HA   CYS  14           HA       CYS  14   0.871   7.923  -3.143
  104    HB2  CYS  14           HB2      CYS  14   3.647   8.022  -2.522
  105    HB3  CYS  14           HB1      CYS  14   2.950   9.592  -2.152
  106    HA   PRO  15           HA       PRO  15  -0.111  11.515  -5.665
  107    HB2  PRO  15           HB2      PRO  15  -2.203  11.825  -3.594
  108    HB3  PRO  15           HB1      PRO  15  -2.364  11.728  -5.348
  109    HG2  PRO  15           HG2      PRO  15  -3.079   9.686  -3.792
  110    HG3  PRO  15           HG1      PRO  15  -2.300   9.416  -5.361
  111    HD2  PRO  15           HD2      PRO  15  -1.124   9.268  -2.613
  112    HD3  PRO  15           HD1      PRO  15  -0.843   8.219  -4.017
  113    H    GLY  16           HN       GLY  16   0.463  13.609  -5.509
  114    HA2  GLY  16           HA2      GLY  16   0.882  15.671  -4.509
  115    HA3  GLY  16           HA1      GLY  16   0.532  14.956  -2.943
  116    H    THR  17           HN       THR  17   2.348  12.821  -2.983
  117    HA   THR  17           HA       THR  17   4.852  14.301  -2.671
  118    HB   THR  17           HB       THR  17   5.493  12.073  -1.478
  119    HG1  THR  17           HG1      THR  17   3.695  10.979  -0.667
  120   HG21  THR  17          HG21      THR  17   3.647  12.961   0.392
  121   HG22  THR  17          HG22      THR  17   4.068  14.391  -0.550
  122   HG23  THR  17          HG23      THR  17   5.335  13.452   0.240
  123    H    HIS  18           HN       HIS  18   6.859  13.291  -3.286
  124    HA   HIS  18           HA       HIS  18   6.663  12.007  -5.891
  125    HB2  HIS  18           HB2      HIS  18   9.102  12.435  -5.991
  126    HB3  HIS  18           HB1      HIS  18   8.194  13.901  -5.628
  127    HD1  HIS  18           HD1      HIS  18  10.722  11.576  -4.180
  128    HD2  HIS  18           HD2      HIS  18   8.464  14.854  -2.996
  129    HE1  HIS  18           HE1      HIS  18  11.696  12.352  -1.979
  130    H    VAL  19           HN       VAL  19   5.830  10.380  -3.773
  131    HA   VAL  19           HA       VAL  19   7.986   8.379  -3.672
  132    HB   VAL  19           HB       VAL  19   7.690   9.329  -1.467
  133   HG11  VAL  19          HG11      VAL  19   5.738  10.001  -0.656
  134   HG12  VAL  19          HG12      VAL  19   5.029   8.401  -0.872
  135   HG13  VAL  19          HG13      VAL  19   5.013   9.559  -2.201
  136   HG21  VAL  19          HG21      VAL  19   6.325   6.648  -1.436
  137   HG22  VAL  19          HG22      VAL  19   7.398   7.343  -0.221
  138   HG23  VAL  19          HG23      VAL  19   8.043   6.843  -1.783
  139    H    CYS  20           HN       CYS  20   7.267   6.156  -3.487
  140    HA   CYS  20           HA       CYS  20   4.636   5.716  -4.735
  141    HB2  CYS  20           HB2      CYS  20   5.536   3.817  -5.894
  142    HB3  CYS  20           HB1      CYS  20   6.625   5.171  -6.173
  143    H    VAL  21           HN       VAL  21   3.273   4.265  -3.811
  144    HA   VAL  21           HA       VAL  21   4.286   2.798  -1.470
  145    HB   VAL  21           HB       VAL  21   2.958   4.525  -0.569
  146   HG11  VAL  21          HG11      VAL  21   0.717   3.803  -2.443
  147   HG12  VAL  21          HG12      VAL  21   1.848   5.129  -2.712
  148   HG13  VAL  21          HG13      VAL  21   0.781   5.154  -1.312
  149   HG21  VAL  21          HG21      VAL  21   1.270   2.037  -0.736
  150   HG22  VAL  21          HG22      VAL  21   1.071   3.330   0.446
  151   HG23  VAL  21          HG23      VAL  21   2.545   2.362   0.438
  152    HA   PRO  22           HA       PRO  22   3.143  -0.842  -3.788
  153    HB2  PRO  22           HB2      PRO  22   2.936  -1.873  -0.994
  154    HB3  PRO  22           HB1      PRO  22   3.746  -2.575  -2.397
  155    HG2  PRO  22           HG2      PRO  22   5.160  -1.356  -0.515
  156    HG3  PRO  22           HG1      PRO  22   5.567  -1.152  -2.225
  157    HD2  PRO  22           HD2      PRO  22   4.218   0.737  -0.362
  158    HD3  PRO  22           HD1      PRO  22   5.326   1.075  -1.704
  159    H    GLU  23           HN       GLU  23   1.350  -2.204  -4.085
  160    HA   GLU  23           HA       GLU  23  -1.159  -1.024  -3.573
  161    HB2  GLU  23           HB2      GLU  23  -0.182  -2.983  -5.272
  162    HB3  GLU  23           HB1      GLU  23  -1.290  -3.861  -4.228
  163    HG2  GLU  23           HG2      GLU  23  -3.081  -2.957  -5.189
  164    HG3  GLU  23           HG1      GLU  23  -2.382  -1.339  -5.174
  165    H    ARG  24           HN       ARG  24   0.600  -3.646  -1.968
  166    HA   ARG  24           HA       ARG  24  -1.569  -4.533  -0.396
  167    HB2  ARG  24           HB2      ARG  24   0.178  -6.058  -0.429
  168    HB3  ARG  24           HB1      ARG  24   1.405  -4.827  -0.209
  169    HG2  ARG  24           HG2      ARG  24   1.461  -5.226   1.966
  170    HG3  ARG  24           HG1      ARG  24  -0.265  -4.903   2.111
  171    HD2  ARG  24           HD2      ARG  24  -0.821  -7.153   1.687
  172    HD3  ARG  24           HD1      ARG  24   0.811  -7.524   1.144
  173    HE   ARG  24           HE       ARG  24   1.279  -6.811   3.657
  174   HH11  ARG  24          HH11      ARG  24  -1.184  -8.912   2.346
  175   HH12  ARG  24          HH12      ARG  24  -1.303  -9.871   3.782
  176   HH21  ARG  24          HH21      ARG  24   1.122  -8.075   5.542
  177   HH22  ARG  24          HH22      ARG  24   0.004  -9.397   5.594
  178    H    TRP  25           HN       TRP  25   0.642  -1.871  -0.104
  179    HA   TRP  25           HA       TRP  25   0.112  -1.325   2.638
  180    HB2  TRP  25           HB2      TRP  25   1.192   0.467   0.451
  181    HB3  TRP  25           HB1      TRP  25   1.198   0.857   2.169
  182    HD1  TRP  25           HD1      TRP  25   2.041  -2.723   1.270
  183    HE1  TRP  25           HE1      TRP  25   4.547  -3.137   1.645
  184    HE3  TRP  25           HE3      TRP  25   3.552   2.098   2.100
  185    HZ2  TRP  25           HZ2      TRP  25   6.862  -1.633   2.212
  186    HZ3  TRP  25           HZ3      TRP  25   5.934   2.516   2.551
  187    HH2  TRP  25           HH2      TRP  25   7.552   0.690   2.608
  188    H    LEU  26           HN       LEU  26  -1.429  -0.519  -0.381
  189    HA   LEU  26           HA       LEU  26  -2.917   1.685   0.105
  190    HB2  LEU  26           HB2      LEU  26  -3.273  -0.718  -1.480
  191    HB3  LEU  26           HB1      LEU  26  -4.787   0.021  -1.033
  192    HG   LEU  26           HG       LEU  26  -4.380   1.930  -2.287
  193   HD11  LEU  26          HD11      LEU  26  -2.333   2.752  -1.578
  194   HD12  LEU  26          HD12      LEU  26  -2.017   2.324  -3.259
  195   HD13  LEU  26          HD13      LEU  26  -1.485   1.254  -1.963
  196   HD21  LEU  26          HD21      LEU  26  -3.277   1.074  -4.456
  197   HD22  LEU  26          HD22      LEU  26  -4.768   0.317  -3.896
  198   HD23  LEU  26          HD23      LEU  26  -3.216  -0.477  -3.619
  199    H    CYS  27           HN       CYS  27  -4.345  -1.507   0.698
  200    HA   CYS  27           HA       CYS  27  -5.922  -0.296   2.861
  201    HB2  CYS  27           HB2      CYS  27  -6.458  -2.988   1.622
  202    HB3  CYS  27           HB1      CYS  27  -7.565  -1.951   2.510
  203    H    ASP  28           HN       ASP  28  -3.345  -0.806   3.575
  204    HA   ASP  28           HA       ASP  28  -3.065  -3.424   4.714
  205    HB2  ASP  28           HB2      ASP  28  -0.969  -2.621   5.607
  206    HB3  ASP  28           HB1      ASP  28  -1.129  -2.064   3.947
  207    H    GLY  29           HN       GLY  29  -4.505  -0.468   5.703
  208    HA2  GLY  29           HA2      GLY  29  -6.064  -0.651   7.579
  209    HA3  GLY  29           HA1      GLY  29  -4.832  -1.576   8.419
  210    H    ASP  30           HN       ASP  30  -3.443   0.969   6.719
  211    HA   ASP  30           HA       ASP  30  -3.850   3.003   8.725
  212    HB2  ASP  30           HB2      ASP  30  -1.103   1.777   8.387
  213    HB3  ASP  30           HB1      ASP  30  -1.502   3.161   9.400
  214    H    LYS  31           HN       LYS  31  -2.774   5.039   8.157
  215    HA   LYS  31           HA       LYS  31  -2.548   5.266   5.269
  216    HB2  LYS  31           HB2      LYS  31  -2.784   7.370   7.409
  217    HB3  LYS  31           HB1      LYS  31  -2.590   7.730   5.703
  218    HG2  LYS  31           HG2      LYS  31  -4.682   6.769   5.162
  219    HG3  LYS  31           HG1      LYS  31  -4.846   6.061   6.771
  220    HD2  LYS  31           HD2      LYS  31  -5.387   8.072   7.747
  221    HD3  LYS  31           HD1      LYS  31  -4.548   9.015   6.513
  222    HE2  LYS  31           HE2      LYS  31  -6.362   9.126   5.199
  223    HE3  LYS  31           HE1      LYS  31  -6.791   7.441   5.489
  224    HZ1  LYS  31           HZ1      LYS  31  -7.569   9.841   6.991
  225    HZ2  LYS  31           HZ2      LYS  31  -7.467   8.365   7.810
  226    HZ3  LYS  31           HZ3      LYS  31  -8.516   8.529   6.494
  227    H    ASP  32           HN       ASP  32  -0.657   5.093   4.341
  228    HA   ASP  32           HA       ASP  32   1.760   5.731   5.866
  229    HB2  ASP  32           HB2      ASP  32   2.983   4.498   4.224
  230    HB3  ASP  32           HB1      ASP  32   1.553   3.558   4.625
  231    H    CYS  33           HN       CYS  33   0.020   6.645   2.959
  232    HA   CYS  33           HA       CYS  33   1.912   8.394   1.859
  233    HB2  CYS  33           HB2      CYS  33  -0.570   7.529   1.122
  234    HB3  CYS  33           HB1      CYS  33  -0.911   9.197   1.569
  235    H    ALA  34           HN       ALA  34   0.677  10.852   1.596
  236    HA   ALA  34           HA       ALA  34   1.350  12.051   4.135
  237    HB1  ALA  34           HB1      ALA  34   1.672  12.850   1.563
  238    HB2  ALA  34           HB2      ALA  34   1.742  13.924   2.960
  239    HB3  ALA  34           HB3      ALA  34   0.249  13.778   2.034
  240    H    ASP  35           HN       ASP  35  -1.519  11.613   2.137
  241    HA   ASP  35           HA       ASP  35  -3.156  12.507   4.416
  242    HB2  ASP  35           HB2      ASP  35  -2.991  13.898   2.089
  243    HB3  ASP  35           HB1      ASP  35  -4.337  12.821   1.727
  244    H    GLY  36           HN       GLY  36  -2.354   9.836   3.917
  245    HA2  GLY  36           HA2      GLY  36  -3.244   7.726   3.807
  246    HA3  GLY  36           HA1      GLY  36  -4.788   8.486   4.152
  247    H    ALA  37           HN       ALA  37  -2.891   9.242   1.310
  248    HA   ALA  37           HA       ALA  37  -5.034   8.813  -0.465
  249    HB1  ALA  37           HB1      ALA  37  -3.569  10.241  -1.426
  250    HB2  ALA  37           HB2      ALA  37  -2.936   8.751  -2.127
  251    HB3  ALA  37           HB3      ALA  37  -2.163   9.454  -0.706
  252    H    ASP  38           HN       ASP  38  -2.314   6.802   0.495
  253    HA   ASP  38           HA       ASP  38  -2.584   4.769  -1.417
  254    HB2  ASP  38           HB2      ASP  38  -0.583   4.696  -0.244
  255    HB3  ASP  38           HB1      ASP  38  -1.357   5.009   1.293
  256    H    GLU  39           HN       GLU  39  -4.302   5.464   1.519
  257    HA   GLU  39           HA       GLU  39  -5.679   2.899   1.510
  258    HB2  GLU  39           HB2      GLU  39  -6.118   5.262   3.335
  259    HB3  GLU  39           HB1      GLU  39  -6.680   3.618   3.584
  260    HG2  GLU  39           HG2      GLU  39  -4.755   4.158   4.988
  261    HG3  GLU  39           HG1      GLU  39  -4.410   2.845   3.870
  262    H    SER  40           HN       SER  40  -6.170   6.214   0.621
  263    HA   SER  40           HA       SER  40  -8.988   6.194   0.433
  264    HB2  SER  40           HB2      SER  40  -6.790   7.937  -0.528
  265    HB3  SER  40           HB1      SER  40  -8.314   8.045  -1.408
  266    HG   SER  40           HG       SER  40  -7.986   8.344   1.397
  267    H    ILE  41           HN       ILE  41 -10.218   6.334  -1.597
  268    HA   ILE  41           HA       ILE  41  -9.851   4.042  -3.167
  269    HB   ILE  41           HB       ILE  41 -12.020   5.222  -2.772
  270   HG12  ILE  41          HG12      ILE  41 -12.667   4.985  -5.332
  271   HG13  ILE  41          HG11      ILE  41 -11.054   4.292  -5.430
  272   HG21  ILE  41          HG21      ILE  41 -12.647   7.111  -4.070
  273   HG22  ILE  41          HG22      ILE  41 -11.149   7.045  -4.999
  274   HG23  ILE  41          HG23      ILE  41 -11.110   7.496  -3.294
  275   HD11  ILE  41          HD11      ILE  41 -12.650   3.236  -3.232
  276   HD12  ILE  41          HD12      ILE  41 -11.689   2.396  -4.449
  277   HD13  ILE  41          HD13      ILE  41 -13.328   2.923  -4.830
  278    H    ALA  42           HN       ALA  42  -8.668   7.281  -3.477
  279    HA   ALA  42           HA       ALA  42  -8.160   7.553  -6.166
  280    HB1  ALA  42           HB1      ALA  42  -7.528   8.979  -3.955
  281    HB2  ALA  42           HB2      ALA  42  -6.884   9.312  -5.564
  282    HB3  ALA  42           HB3      ALA  42  -5.939   8.365  -4.414
  283    H    ALA  43           HN       ALA  43  -6.641   5.465  -3.850
  284    HA   ALA  43           HA       ALA  43  -4.485   4.736  -5.669
  285    HB1  ALA  43           HB1      ALA  43  -3.535   3.557  -3.845
  286    HB2  ALA  43           HB2      ALA  43  -5.056   3.582  -2.952
  287    HB3  ALA  43           HB3      ALA  43  -4.150   5.075  -3.190
  288    H    GLY  44           HN       GLY  44  -7.556   3.590  -4.547
  289    HA2  GLY  44           HA2      GLY  44  -8.755   2.007  -5.932
  290    HA3  GLY  44           HA1      GLY  44  -7.226   1.191  -6.229
  291    H    CYS  45           HN       CYS  45  -8.405   2.353  -3.117
  292    HA   CYS  45           HA       CYS  45  -7.977  -0.254  -1.972
  293    HB2  CYS  45           HB2      CYS  45  -8.036   2.406  -1.005
  294    HB3  CYS  45           HB1      CYS  45  -9.307   1.534  -0.157
  295    H    LEU  46           HN       LEU  46 -10.481   1.011  -3.685
  296    HA   LEU  46           HA       LEU  46 -12.615   0.335  -4.060
  297    HB2  LEU  46           HB2      LEU  46 -12.197  -1.835  -2.020
  298    HB3  LEU  46           HB1      LEU  46 -13.335  -1.816  -3.351
  299    HG   LEU  46           HG       LEU  46 -11.793  -3.211  -4.254
  300   HD11  LEU  46          HD11      LEU  46 -11.819  -0.973  -5.531
  301   HD12  LEU  46          HD12      LEU  46 -10.565  -2.153  -5.910
  302   HD13  LEU  46          HD13      LEU  46 -10.191  -0.766  -4.888
  303   HD21  LEU  46          HD21      LEU  46  -9.311  -1.947  -3.311
  304   HD22  LEU  46          HD22      LEU  46  -9.768  -3.649  -3.385
  305   HD23  LEU  46          HD23      LEU  46 -10.338  -2.641  -2.056
  306    H    TYR  47           HN       TYR  47 -11.819   2.107  -1.732
  307    HA   TYR  47           HA       TYR  47 -14.385   2.675  -0.786
  308    HB2  TYR  47           HB2      TYR  47 -14.229   1.934   1.553
  309    HB3  TYR  47           HB1      TYR  47 -14.194   0.565   0.446
  310    HD1  TYR  47           HD1      TYR  47 -11.923   2.829   2.344
  311    HD2  TYR  47           HD2      TYR  47 -12.509  -1.028   0.647
  312    HE1  TYR  47           HE1      TYR  47  -9.822   2.068   3.365
  313    HE2  TYR  47           HE2      TYR  47 -10.408  -1.802   1.664
  314    HH   TYR  47           HH       TYR  47  -8.971  -1.137   3.655
  315    H    ASN  48           HN       ASN  48 -14.459   4.505   0.534
  316    HA   ASN  48           HA       ASN  48 -12.501   5.675   2.032
  317    HB2  ASN  48           HB2      ASN  48 -10.988   5.801   0.192
  318    HB3  ASN  48           HB1      ASN  48 -12.232   6.435  -0.876
  319   HD21  ASN  48          HD21      ASN  48 -11.161   7.314   2.389
  320   HD22  ASN  48          HD22      ASN  48 -10.838   8.970   2.021
  321    H    SER  49           HN       SER  49 -14.040   6.617   3.230
  322    HA   SER  49           HA       SER  49 -15.196   9.047   2.463
  323    HB2  SER  49           HB2      SER  49 -16.818   6.626   1.921
  324    HB3  SER  49           HB1      SER  49 -17.655   7.955   2.722
  325    HG   SER  49           HG       SER  49 -16.923   9.311   1.006
  326    H    THR  50           HN       THR  50 -15.513   6.173   4.483
  327    HA   THR  50           HA       THR  50 -16.492   7.789   6.711
  328    HB   THR  50           HB       THR  50 -16.539   5.464   7.842
  329    HG1  THR  50           HG1      THR  50 -15.628   4.004   6.647
  330   HG21  THR  50          HG21      THR  50 -18.552   4.759   6.357
  331   HG22  THR  50          HG22      THR  50 -18.315   6.345   5.623
  332   HG23  THR  50          HG23      THR  50 -18.646   6.213   7.351
  333    H    GLY  51           HN       GLY  51 -14.046   5.208   6.379
  334    HA2  GLY  51           HA2      GLY  51 -11.745   6.385   7.021
  335    HA3  GLY  51           HA1      GLY  51 -12.545   6.373   8.586
  336    H    SER  52           HN       SER  52 -10.142   5.081   8.205
  337    HA   SER  52           HA       SER  52  -9.099   3.110   8.634
  338    HB2  SER  52           HB2      SER  52 -10.398   2.656  10.496
  339    HB3  SER  52           HB1      SER  52 -11.888   2.537   9.562
  340    HG   SER  52           HG       SER  52  -9.771   0.669   9.334
  341    H    GLY  53           HN       GLY  53 -12.149   1.642   7.575
  342    HA2  GLY  53           HA2      GLY  53 -12.534   0.933   5.292
  343    HA3  GLY  53           HA1      GLY  53 -10.794   0.787   5.100
  344    H    SER  54           HN       SER  54 -10.763  -1.331   4.459
  345    HA   SER  54           HA       SER  54 -10.661  -3.588   4.694
  346    HB2  SER  54           HB2      SER  54 -10.515  -2.601   7.483
  347    HB3  SER  54           HB1      SER  54 -10.937  -4.301   7.284
  348    HG   SER  54           HG       SER  54  -8.551  -3.024   6.869
  349    H    GLY  55           HN       GLY  55 -13.016  -2.769   3.797
  350    HA2  GLY  55           HA2      GLY  55 -14.820  -4.779   4.831
  351    HA3  GLY  55           HA1      GLY  55 -15.372  -3.128   5.067
  352    H    SER  56           HN       SER  56 -13.472  -3.971   2.279
  353    HA   SER  56           HA       SER  56 -15.712  -3.268   0.565
  354    HB2  SER  56           HB2      SER  56 -13.661  -3.796  -1.151
  355    HB3  SER  56           HB1      SER  56 -13.949  -2.224  -0.406
  356    HG   SER  56           HG       SER  56 -11.766  -3.111  -0.190
  357    H    GLY  57           HN       GLY  57 -13.896  -6.068   1.535
  358    HA2  GLY  57           HA2      GLY  57 -15.238  -8.166   1.253
  359    HA3  GLY  57           HA1      GLY  57 -15.404  -7.683  -0.428
  360    H    SER 129           HN       SER 129 -14.509  -9.926  -0.669
  361    HA   SER 129           HA       SER 129 -11.943 -10.685   0.040
  362    HB2  SER 129           HB2      SER 129 -13.714 -11.394  -2.281
  363    HB3  SER 129           HB1      SER 129 -12.074 -12.036  -2.188
  364    HG   SER 129           HG       SER 129 -12.588 -13.054  -0.288
  365    H    THR 130           HN       THR 130 -13.007  -8.508  -2.462
  366    HA   THR 130           HA       THR 130 -10.698  -8.441  -4.043
  367    HB   THR 130           HB       THR 130 -12.222  -5.921  -3.606
  368    HG1  THR 130           HG1      THR 130 -13.332  -8.231  -4.820
  369   HG21  THR 130          HG21      THR 130 -12.365  -6.257  -6.187
  370   HG22  THR 130          HG22      THR 130 -11.028  -7.374  -5.907
  371   HG23  THR 130          HG23      THR 130 -10.877  -5.680  -5.435
  372    H    GLU 131           HN       GLU 131 -11.474  -6.931  -0.994
  373    HA   GLU 131           HA       GLU 131  -9.448  -4.987  -0.928
  374    HB2  GLU 131           HB2      GLU 131 -11.459  -5.317   0.653
  375    HB3  GLU 131           HB1      GLU 131 -10.427  -6.452   1.511
  376    HG2  GLU 131           HG2      GLU 131  -9.306  -3.774   0.949
  377    HG3  GLU 131           HG1      GLU 131 -10.591  -3.879   2.152
  378    H    GLU 132           HN       GLU 132  -9.453  -8.410  -0.156
  379    HA   GLU 132           HA       GLU 132  -6.699  -8.295   0.790
  380    HB2  GLU 132           HB2      GLU 132  -8.147 -10.878   0.432
  381    HB3  GLU 132           HB1      GLU 132  -7.008 -10.399   1.681
  382    HG2  GLU 132           HG2      GLU 132  -8.862  -8.812   2.476
  383    HG3  GLU 132           HG1      GLU 132  -9.929  -9.784   1.464
  384    H    LEU 133           HN       LEU 133  -8.542  -9.265  -1.997
  385    HA   LEU 133           HA       LEU 133  -6.703 -10.944  -3.255
  386    HB2  LEU 133           HB2      LEU 133  -9.081  -9.439  -3.990
  387    HB3  LEU 133           HB1      LEU 133  -7.941  -9.555  -5.313
  388    HG   LEU 133           HG       LEU 133  -8.051 -11.932  -5.324
  389   HD11  LEU 133          HD11      LEU 133  -9.507 -13.138  -3.665
  390   HD12  LEU 133          HD12      LEU 133  -9.538 -11.647  -2.724
  391   HD13  LEU 133          HD13      LEU 133  -8.008 -12.473  -3.016
  392   HD21  LEU 133          HD21      LEU 133  -9.946 -11.789  -6.469
  393   HD22  LEU 133          HD22      LEU 133 -10.365 -10.300  -5.621
  394   HD23  LEU 133          HD23      LEU 133 -10.861 -11.860  -4.963
  395    H    ARG 134           HN       ARG 134  -6.815  -7.455  -3.027
  396    HA   ARG 134           HA       ARG 134  -4.671  -7.157  -4.981
  397    HB2  ARG 134           HB2      ARG 134  -5.054  -4.787  -4.810
  398    HB3  ARG 134           HB1      ARG 134  -6.605  -5.597  -4.978
  399    HG2  ARG 134           HG2      ARG 134  -6.982  -5.386  -2.575
  400    HG3  ARG 134           HG1      ARG 134  -5.422  -4.581  -2.402
  401    HD2  ARG 134           HD2      ARG 134  -7.852  -3.595  -3.883
  402    HD3  ARG 134           HD1      ARG 134  -7.106  -2.894  -2.449
  403    HE   ARG 134           HE       ARG 134  -5.447  -1.964  -3.779
  404   HH11  ARG 134          HH11      ARG 134  -7.536  -4.010  -5.694
  405   HH12  ARG 134          HH12      ARG 134  -6.949  -3.402  -7.204
  406   HH21  ARG 134          HH21      ARG 134  -4.679  -1.170  -5.766
  407   HH22  ARG 134          HH22      ARG 134  -5.329  -1.792  -7.246
  408    H    VAL 135           HN       VAL 135  -5.187  -7.060  -1.537
  409    HA   VAL 135           HA       VAL 135  -2.553  -5.932  -1.047
  410    HB   VAL 135           HB       VAL 135  -4.623  -6.856   0.944
  411   HG11  VAL 135          HG11      VAL 135  -3.217  -5.024   2.271
  412   HG12  VAL 135          HG12      VAL 135  -1.951  -5.602   1.187
  413   HG13  VAL 135          HG13      VAL 135  -2.774  -6.732   2.260
  414   HG21  VAL 135          HG21      VAL 135  -5.206  -4.497   1.170
  415   HG22  VAL 135          HG22      VAL 135  -5.468  -5.059  -0.481
  416   HG23  VAL 135          HG23      VAL 135  -4.050  -4.086  -0.097
  417    H    ARG 136           HN       ARG 136  -4.312  -8.928  -0.333
  418    HA   ARG 136           HA       ARG 136  -2.370 -10.315   1.047
  419    HB2  ARG 136           HB2      ARG 136  -4.700 -11.066   0.714
  420    HB3  ARG 136           HB1      ARG 136  -4.325 -11.448  -0.960
  421    HG2  ARG 136           HG2      ARG 136  -2.501 -12.976   0.048
  422    HG3  ARG 136           HG1      ARG 136  -3.437 -12.825   1.537
  423    HD2  ARG 136           HD2      ARG 136  -5.321 -13.843   0.591
  424    HD3  ARG 136           HD1      ARG 136  -4.737 -13.597  -1.054
  425    HE   ARG 136           HE       ARG 136  -4.195 -15.819   0.626
  426   HH11  ARG 136          HH11      ARG 136  -2.744 -13.788  -1.813
  427   HH12  ARG 136          HH12      ARG 136  -1.656 -15.016  -2.367
  428   HH21  ARG 136          HH21      ARG 136  -2.766 -17.436  -0.102
  429   HH22  ARG 136          HH22      ARG 136  -1.669 -17.088  -1.396
  430    H    LEU 137           HN       LEU 137  -2.806 -10.093  -2.472
  431    HA   LEU 137           HA       LEU 137  -0.767 -11.910  -3.155
  432    HB2  LEU 137           HB2      LEU 137  -2.546 -11.125  -4.697
  433    HB3  LEU 137           HB1      LEU 137  -1.762  -9.559  -4.767
  434    HG   LEU 137           HG       LEU 137  -1.336 -11.097  -6.724
  435   HD11  LEU 137          HD11      LEU 137   0.190  -9.172  -5.720
  436   HD12  LEU 137          HD12      LEU 137   0.688 -10.140  -7.107
  437   HD13  LEU 137          HD13      LEU 137   1.301 -10.524  -5.499
  438   HD21  LEU 137          HD21      LEU 137   0.723 -12.496  -5.119
  439   HD22  LEU 137          HD22      LEU 137  -0.178 -13.039  -6.535
  440   HD23  LEU 137          HD23      LEU 137  -0.946 -13.038  -4.947
  441    H    ALA 138           HN       ALA 138  -0.611  -8.405  -3.741
  442    HA   ALA 138           HA       ALA 138   1.967  -7.998  -4.259
  443    HB1  ALA 138           HB1      ALA 138   0.071  -6.301  -3.892
  444    HB2  ALA 138           HB2      ALA 138   1.738  -5.790  -3.623
  445    HB3  ALA 138           HB3      ALA 138   0.704  -6.185  -2.251
  446    H    SER 139           HN       SER 139   0.749  -8.791  -1.069
  447    HA   SER 139           HA       SER 139   2.827  -8.103   0.567
  448    HB2  SER 139           HB2      SER 139   1.452  -9.125   1.995
  449    HB3  SER 139           HB1      SER 139   0.613  -9.922   0.667
  450    HG   SER 139           HG       SER 139   1.566 -11.706   1.214
  451    H    HIS 140           HN       HIS 140   2.848 -10.505  -1.919
  452    HA   HIS 140           HA       HIS 140   4.766 -12.290  -1.133
  453    HB2  HIS 140           HB2      HIS 140   5.266 -12.637  -3.489
  454    HB3  HIS 140           HB1      HIS 140   3.533 -12.430  -3.259
  455    HD1  HIS 140           HD1      HIS 140   6.404 -11.042  -5.108
  456    HD2  HIS 140           HD2      HIS 140   2.547  -9.884  -4.118
  457    HE1  HIS 140           HE1      HIS 140   5.813  -9.120  -6.645
  458    H    LEU 141           HN       LEU 141   5.268  -8.967  -2.191
  459    HA   LEU 141           HA       LEU 141   8.089  -9.256  -1.422
  460    HB2  LEU 141           HB2      LEU 141   8.041  -9.360  -3.835
  461    HB3  LEU 141           HB1      LEU 141   7.069  -7.902  -3.913
  462    HG   LEU 141           HG       LEU 141   9.354  -7.173  -2.470
  463   HD11  LEU 141          HD11      LEU 141  10.225  -8.586  -4.970
  464   HD12  LEU 141          HD12      LEU 141  10.289  -9.347  -3.380
  465   HD13  LEU 141          HD13      LEU 141  11.222  -7.884  -3.696
  466   HD21  LEU 141          HD21      LEU 141   8.250  -6.652  -5.180
  467   HD22  LEU 141          HD22      LEU 141   9.871  -6.074  -4.797
  468   HD23  LEU 141          HD23      LEU 141   8.495  -5.550  -3.825
  469    H    ARG 142           HN       ARG 142   5.502  -6.946  -2.204
  470    HA   ARG 142           HA       ARG 142   6.554  -4.595  -1.375
  471    HB2  ARG 142           HB2      ARG 142   3.760  -5.457  -0.630
  472    HB3  ARG 142           HB1      ARG 142   4.332  -3.817  -0.899
  473    HG2  ARG 142           HG2      ARG 142   3.947  -5.990  -2.937
  474    HG3  ARG 142           HG1      ARG 142   3.090  -4.456  -2.811
  475    HD2  ARG 142           HD2      ARG 142   4.586  -3.526  -4.162
  476    HD3  ARG 142           HD1      ARG 142   5.852  -3.866  -2.983
  477    HE   ARG 142           HE       ARG 142   6.612  -5.481  -4.392
  478   HH11  ARG 142          HH11      ARG 142   3.235  -4.950  -5.084
  479   HH12  ARG 142          HH12      ARG 142   3.197  -6.079  -6.396
  480   HH21  ARG 142          HH21      ARG 142   6.563  -6.972  -6.116
  481   HH22  ARG 142          HH22      ARG 142   5.084  -7.227  -6.981
  482    H    LYS 143           HN       LYS 143   4.529  -6.475   0.894
  483    HA   LYS 143           HA       LYS 143   5.652  -5.089   3.134
  484    HB2  LYS 143           HB2      LYS 143   3.387  -6.750   2.641
  485    HB3  LYS 143           HB1      LYS 143   4.281  -7.428   3.995
  486    HG2  LYS 143           HG2      LYS 143   2.608  -5.897   4.801
  487    HG3  LYS 143           HG1      LYS 143   4.214  -5.240   5.112
  488    HD2  LYS 143           HD2      LYS 143   3.825  -3.441   3.846
  489    HD3  LYS 143           HD1      LYS 143   3.168  -4.416   2.530
  490    HE2  LYS 143           HE2      LYS 143   1.344  -3.132   3.147
  491    HE3  LYS 143           HE1      LYS 143   1.083  -4.617   4.060
  492    HZ1  LYS 143           HZ1      LYS 143   2.639  -2.559   5.395
  493    HZ2  LYS 143           HZ2      LYS 143   1.446  -3.585   6.012
  494    HZ3  LYS 143           HZ3      LYS 143   1.004  -2.199   5.149
  495    H    LEU 144           HN       LEU 144   6.067  -8.281   1.692
  496    HA   LEU 144           HA       LEU 144   7.599  -9.446   3.731
  497    HB2  LEU 144           HB2      LEU 144   6.892 -10.044   0.995
  498    HB3  LEU 144           HB1      LEU 144   8.567 -10.462   1.299
  499    HG   LEU 144           HG       LEU 144   7.682 -11.717   3.364
  500   HD11  LEU 144          HD11      LEU 144   5.374 -10.571   2.974
  501   HD12  LEU 144          HD12      LEU 144   5.449 -12.243   3.529
  502   HD13  LEU 144          HD13      LEU 144   5.130 -11.891   1.830
  503   HD21  LEU 144          HD21      LEU 144   7.830 -13.618   2.159
  504   HD22  LEU 144          HD22      LEU 144   8.322 -12.516   0.873
  505   HD23  LEU 144          HD23      LEU 144   6.653 -13.079   0.962
  506    H    ARG 145           HN       ARG 145   8.905  -8.352   0.602
  507    HA   ARG 145           HA       ARG 145  11.523  -8.006   1.751
  508    HB2  ARG 145           HB2      ARG 145  11.559  -8.831  -0.446
  509    HB3  ARG 145           HB1      ARG 145  10.361  -7.672  -0.998
  510    HG2  ARG 145           HG2      ARG 145  12.554  -7.144  -1.884
  511    HG3  ARG 145           HG1      ARG 145  11.997  -5.874  -0.794
  512    HD2  ARG 145           HD2      ARG 145  13.378  -6.784   0.994
  513    HD3  ARG 145           HD1      ARG 145  13.911  -8.088  -0.067
  514    HE   ARG 145           HE       ARG 145  14.937  -5.438   0.026
  515   HH11  ARG 145          HH11      ARG 145  14.284  -8.088  -2.149
  516   HH12  ARG 145          HH12      ARG 145  15.504  -7.620  -3.286
  517   HH21  ARG 145          HH21      ARG 145  16.541  -4.820  -1.469
  518   HH22  ARG 145          HH22      ARG 145  16.786  -5.765  -2.900
  519    H    LYS 146           HN       LYS 146  12.321  -6.215   2.611
  520    HA   LYS 146           HA       LYS 146  11.819  -3.608   1.662
  521    HB2  LYS 146           HB2      LYS 146   9.641  -4.243   2.895
  522    HB3  LYS 146           HB1      LYS 146  10.589  -4.068   4.364
  523    HG2  LYS 146           HG2      LYS 146   9.348  -2.039   3.870
  524    HG3  LYS 146           HG1      LYS 146  11.088  -1.755   3.784
  525    HD2  LYS 146           HD2      LYS 146  10.300  -2.526   1.201
  526    HD3  LYS 146           HD1      LYS 146   9.075  -1.389   1.761
  527    HE2  LYS 146           HE2      LYS 146  10.845  -0.195   0.625
  528    HE3  LYS 146           HE1      LYS 146  10.858   0.210   2.340
  529    HZ1  LYS 146           HZ1      LYS 146  13.089  -0.186   1.486
  530    HZ2  LYS 146           HZ2      LYS 146  12.657  -1.755   1.027
  531    HZ3  LYS 146           HZ3      LYS 146  12.681  -1.331   2.663
  532    H    ARG 147           HN       ARG 147  13.912  -3.067   1.852
  533    HA   ARG 147           HA       ARG 147  15.706  -3.904   3.797
  534    HB2  ARG 147           HB2      ARG 147  15.775  -1.266   2.322
  535    HB3  ARG 147           HB1      ARG 147  17.142  -2.086   3.063
  536    HG2  ARG 147           HG2      ARG 147  15.664  -3.664   1.073
  537    HG3  ARG 147           HG1      ARG 147  16.506  -2.245   0.448
  538    HD2  ARG 147           HD2      ARG 147  18.425  -3.262   2.033
  539    HD3  ARG 147           HD1      ARG 147  17.581  -4.746   1.592
  540    HE   ARG 147           HE       ARG 147  18.420  -4.549  -0.525
  541   HH11  ARG 147          HH11      ARG 147  18.762  -1.481   1.103
  542   HH12  ARG 147          HH12      ARG 147  19.704  -0.772  -0.165
  543   HH21  ARG 147          HH21      ARG 147  19.659  -3.618  -2.194
  544   HH22  ARG 147          HH22      ARG 147  20.213  -1.984  -2.037
  545    H    LEU 148           HN       LEU 148  16.788  -2.568   5.460
  546    HA   LEU 148           HA       LEU 148  16.782  -1.360   7.383
  547    HB2  LEU 148           HB2      LEU 148  14.579   0.192   6.019
  548    HB3  LEU 148           HB1      LEU 148  15.378   0.674   7.503
  549    HG   LEU 148           HG       LEU 148  16.316   1.946   5.709
  550   HD11  LEU 148          HD11      LEU 148  18.494  -0.022   5.960
  551   HD12  LEU 148          HD12      LEU 148  17.802   0.562   7.473
  552   HD13  LEU 148          HD13      LEU 148  18.474   1.706   6.312
  553   HD21  LEU 148          HD21      LEU 148  15.626   0.153   3.988
  554   HD22  LEU 148          HD22      LEU 148  17.212  -0.545   4.311
  555   HD23  LEU 148          HD23      LEU 148  17.083   1.099   3.687
  556    H    LEU 149           HN       LEU 149  13.318  -1.253   6.552
  557    HA   LEU 149           HA       LEU 149  12.401  -1.784   9.132
  558    HB2  LEU 149           HB2      LEU 149  11.016  -2.454   6.536
  559    HB3  LEU 149           HB1      LEU 149  10.249  -2.258   8.101
  560    HG   LEU 149           HG       LEU 149  11.785   0.015   6.900
  561   HD11  LEU 149          HD11      LEU 149   9.027   0.345   6.350
  562   HD12  LEU 149          HD12      LEU 149   9.526  -1.210   5.684
  563   HD13  LEU 149          HD13      LEU 149  10.372   0.264   5.213
  564   HD21  LEU 149          HD21      LEU 149  11.172   0.718   8.958
  565   HD22  LEU 149          HD22      LEU 149   9.830  -0.421   9.068
  566   HD23  LEU 149          HD23      LEU 149   9.650   1.068   8.139
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   4.583  13.272   6.960
    2    H2   GLY   1           HT2      GLY   1   3.265  13.599   5.951
    3    H3   GLY   1           HT3      GLY   1   4.567  14.678   6.018
    4    HA2  GLY   1           HA1      GLY   1   4.657  13.371   3.993
    5    HA3  GLY   1           HA2      GLY   1   6.034  13.046   5.035
    6    H    SER   2           HN       SER   2   6.542  10.974   5.198
    7    HA   SER   2           HA       SER   2   4.580   8.962   5.722
    8    HB2  SER   2           HB2      SER   2   6.066   8.669   3.109
    9    HB3  SER   2           HB1      SER   2   4.765   7.658   3.735
   10    HG   SER   2           HG       SER   2   3.315   9.234   3.300
   11    H    LYS   2           HN       LYS   2   5.703   6.698   5.556
   12    HA   LYS   2           HA       LYS   2   8.430   7.002   6.620
   13    HB2  LYS   2           HB2      LYS   2   8.050   5.156   8.079
   14    HB3  LYS   2           HB1      LYS   2   6.698   6.259   8.264
   15    HG2  LYS   2           HG2      LYS   2   6.382   4.065   6.303
   16    HG3  LYS   2           HG1      LYS   2   6.403   3.627   8.010
   17    HD2  LYS   2           HD2      LYS   2   4.540   5.577   6.658
   18    HD3  LYS   2           HD1      LYS   2   4.126   3.993   7.311
   19    HE2  LYS   2           HE2      LYS   2   5.328   5.351   9.426
   20    HE3  LYS   2           HE1      LYS   2   4.301   6.550   8.642
   21    HZ1  LYS   2           HZ1      LYS   2   2.683   4.414   8.727
   22    HZ2  LYS   2           HZ2      LYS   2   2.709   5.634   9.899
   23    HZ3  LYS   2           HZ3      LYS   2   3.568   4.199  10.154
   24    H    LEU   2           HN       LEU   2   6.993   6.179   3.890
   25    HA   LEU   2           HA       LEU   2   7.829   3.608   3.225
   26    HB2  LEU   2           HB2      LEU   2   7.334   6.095   1.624
   27    HB3  LEU   2           HB1      LEU   2   7.937   4.645   0.845
   28    HG   LEU   2           HG       LEU   2   5.965   3.440   1.297
   29   HD11  LEU   2          HD11      LEU   2   5.024   5.681   3.079
   30   HD12  LEU   2          HD12      LEU   2   5.749   4.182   3.661
   31   HD13  LEU   2          HD13      LEU   2   4.221   4.139   2.783
   32   HD21  LEU   2          HD21      LEU   2   5.897   5.433  -0.366
   33   HD22  LEU   2          HD22      LEU   2   4.796   6.143   0.815
   34   HD23  LEU   2          HD23      LEU   2   4.411   4.598   0.067
   35    H    GLU   3           HN       GLU   3   9.374   6.519   1.913
   36    HA   GLU   3           HA       GLU   3  11.507   6.867   1.171
   37    HB2  GLU   3           HB2      GLU   3  13.204   6.628   3.010
   38    HB3  GLU   3           HB1      GLU   3  11.780   7.574   3.421
   39    HG2  GLU   3           HG2      GLU   3  10.854   5.747   4.665
   40    HG3  GLU   3           HG1      GLU   3  12.150   4.676   4.135
   41    H    GLY   4           HN       GLY   4  11.252   5.044  -0.392
   42    HA2  GLY   4           HA2      GLY   4  12.969   3.651  -1.410
   43    HA3  GLY   4           HA1      GLY   4  13.298   2.997   0.185
   44    H    LYS   5           HN       LYS   5  12.371   1.935  -2.553
   45    HA   LYS   5           HA       LYS   5  11.161  -0.370  -1.772
   46    HB2  LYS   5           HB2      LYS   5   9.269   1.805  -1.693
   47    HB3  LYS   5           HB1      LYS   5   8.769   0.624  -2.893
   48    HG2  LYS   5           HG2      LYS   5   9.224   0.204   0.044
   49    HG3  LYS   5           HG1      LYS   5   7.734  -0.002  -0.876
   50    HD2  LYS   5           HD2      LYS   5   9.035  -1.806  -2.174
   51    HD3  LYS   5           HD1      LYS   5  10.176  -1.745  -0.831
   52    HE2  LYS   5           HE2      LYS   5   8.043  -2.034   0.632
   53    HE3  LYS   5           HE1      LYS   5   7.327  -2.639  -0.861
   54    HZ1  LYS   5           HZ1      LYS   5   8.457  -4.286   0.738
   55    HZ2  LYS   5           HZ2      LYS   5   9.905  -3.706   0.086
   56    HZ3  LYS   5           HZ3      LYS   5   8.758  -4.432  -0.921
   57    H    THR   6           HN       THR   6   9.337  -0.886  -3.861
   58    HA   THR   6           HA       THR   6  11.194  -0.817  -6.112
   59    HB   THR   6           HB       THR   6  10.528  -3.014  -5.802
   60    HG1  THR   6           HG1      THR   6   9.110  -3.480  -7.529
   61   HG21  THR   6          HG21      THR   6   8.324  -3.821  -5.345
   62   HG22  THR   6          HG22      THR   6   7.654  -2.198  -5.489
   63   HG23  THR   6          HG23      THR   6   8.736  -2.590  -4.152
   64    H    CYS   7           HN       CYS   7   7.708  -0.275  -5.539
   65    HA   CYS   7           HA       CYS   7   6.182   1.017  -6.632
   66    HB2  CYS   7           HB2      CYS   7   8.362   2.754  -7.716
   67    HB3  CYS   7           HB1      CYS   7   6.793   3.213  -7.058
   68    H    GLY   8           HN       GLY   8   6.288  -1.069  -8.060
   69    HA2  GLY   8           HA2      GLY   8   6.675  -0.149 -10.835
   70    HA3  GLY   8           HA1      GLY   8   7.290  -1.713 -10.327
   71    HA   PRO   9           HA       PRO   9   3.449  -3.501 -11.511
   72    HB2  PRO   9           HB2      PRO   9   3.251  -5.605  -9.798
   73    HB3  PRO   9           HB1      PRO   9   4.382  -5.565 -11.154
   74    HG2  PRO   9           HG2      PRO   9   4.882  -5.024  -8.256
   75    HG3  PRO   9           HG1      PRO   9   5.879  -5.915  -9.419
   76    HD2  PRO   9           HD2      PRO   9   6.398  -3.350  -8.676
   77    HD3  PRO   9           HD1      PRO   9   6.813  -3.998 -10.276
   78    H    SER  10           HN       SER  10   3.031  -4.549  -8.196
   79    HA   SER  10           HA       SER  10   0.518  -3.133  -8.058
   80    HB2  SER  10           HB2      SER  10   1.721  -4.677  -5.773
   81    HB3  SER  10           HB1      SER  10   0.022  -4.467  -6.196
   82    HG   SER  10           HG       SER  10   0.465  -5.768  -8.073
   83    H    SER  11           HN       SER  11   1.765  -1.048  -8.231
   84    HA   SER  11           HA       SER  11   2.471  -0.110  -5.534
   85    HB2  SER  11           HB2      SER  11   4.285   1.143  -6.348
   86    HB3  SER  11           HB1      SER  11   4.417  -0.393  -7.205
   87    HG   SER  11           HG       SER  11   3.431   2.076  -8.171
   88    H    PHE  12           HN       PHE  12   2.116   2.106  -5.116
   89    HA   PHE  12           HA       PHE  12   0.348   3.519  -6.972
   90    HB2  PHE  12           HB2      PHE  12  -1.192   2.508  -5.419
   91    HB3  PHE  12           HB1      PHE  12  -0.216   3.017  -4.044
   92    HD1  PHE  12           HD1      PHE  12  -1.733   4.650  -7.039
   93    HD2  PHE  12           HD2      PHE  12  -1.118   4.734  -2.829
   94    HE1  PHE  12           HE1      PHE  12  -3.020   6.740  -6.898
   95    HE2  PHE  12           HE2      PHE  12  -2.409   6.824  -2.680
   96    HZ   PHE  12           HZ       PHE  12  -3.363   7.829  -4.716
   97    H    SER  13           HN       SER  13   1.661   5.192  -7.468
   98    HA   SER  13           HA       SER  13   3.562   6.305  -5.722
   99    HB2  SER  13           HB2      SER  13   2.589   6.820  -8.409
  100    HB3  SER  13           HB1      SER  13   2.949   8.316  -7.550
  101    HG   SER  13           HG       SER  13   5.008   7.235  -7.003
  102    H    CYS  14           HN       CYS  14   3.079   7.263  -3.857
  103    HA   CYS  14           HA       CYS  14   0.676   8.195  -2.988
  104    HB2  CYS  14           HB2      CYS  14   3.479   8.704  -2.215
  105    HB3  CYS  14           HB1      CYS  14   2.307   9.879  -1.635
  106    HA   PRO  15           HA       PRO  15  -0.141  11.600  -5.808
  107    HB2  PRO  15           HB2      PRO  15  -2.258  12.041  -3.762
  108    HB3  PRO  15           HB1      PRO  15  -2.393  11.953  -5.520
  109    HG2  PRO  15           HG2      PRO  15  -3.190   9.922  -4.009
  110    HG3  PRO  15           HG1      PRO  15  -2.345   9.633  -5.541
  111    HD2  PRO  15           HD2      PRO  15  -1.313   9.445  -2.744
  112    HD3  PRO  15           HD1      PRO  15  -0.949   8.426  -4.149
  113    H    GLY  16           HN       GLY  16   0.620  13.625  -5.803
  114    HA2  GLY  16           HA2      GLY  16   1.131  15.745  -5.015
  115    HA3  GLY  16           HA1      GLY  16   0.526  15.274  -3.436
  116    H    THR  17           HN       THR  17   2.548  12.849  -4.078
  117    HA   THR  17           HA       THR  17   4.991  14.271  -3.317
  118    HB   THR  17           HB       THR  17   5.406  12.458  -1.597
  119    HG1  THR  17           HG1      THR  17   3.471  11.246  -2.563
  120   HG21  THR  17          HG21      THR  17   3.404  14.609  -1.332
  121   HG22  THR  17          HG22      THR  17   4.908  14.335  -0.451
  122   HG23  THR  17          HG23      THR  17   3.466  13.401  -0.048
  123    H    HIS  18           HN       HIS  18   6.837  13.419  -4.124
  124    HA   HIS  18           HA       HIS  18   6.765  11.693  -6.311
  125    HB2  HIS  18           HB2      HIS  18   9.263  11.538  -5.965
  126    HB3  HIS  18           HB1      HIS  18   8.623  13.175  -6.068
  127    HD1  HIS  18           HD1      HIS  18  10.381  10.852  -3.754
  128    HD2  HIS  18           HD2      HIS  18   8.615  14.610  -3.641
  129    HE1  HIS  18           HE1      HIS  18  11.146  11.933  -1.599
  130    H    VAL  19           HN       VAL  19   6.798  11.012  -2.948
  131    HA   VAL  19           HA       VAL  19   8.003   8.502  -2.869
  132    HB   VAL  19           HB       VAL  19   7.459   9.730  -0.851
  133   HG11  VAL  19          HG11      VAL  19   5.497  10.702  -0.522
  134   HG12  VAL  19          HG12      VAL  19   4.677   9.142  -0.568
  135   HG13  VAL  19          HG13      VAL  19   4.940  10.044  -2.060
  136   HG21  VAL  19          HG21      VAL  19   5.706   7.427  -0.399
  137   HG22  VAL  19          HG22      VAL  19   7.215   7.877   0.394
  138   HG23  VAL  19          HG23      VAL  19   7.249   7.039  -1.157
  139    H    CYS  20           HN       CYS  20   7.219   6.415  -3.021
  140    HA   CYS  20           HA       CYS  20   4.586   6.114  -4.305
  141    HB2  CYS  20           HB2      CYS  20   5.817   3.945  -5.245
  142    HB3  CYS  20           HB1      CYS  20   5.905   5.498  -6.067
  143    H    VAL  21           HN       VAL  21   3.187   4.773  -3.348
  144    HA   VAL  21           HA       VAL  21   4.217   3.104  -1.159
  145    HB   VAL  21           HB       VAL  21   2.682   4.826  -0.393
  146   HG11  VAL  21          HG11      VAL  21   0.293   4.733  -1.050
  147   HG12  VAL  21          HG12      VAL  21   0.730   3.587  -2.316
  148   HG13  VAL  21          HG13      VAL  21   1.376   5.227  -2.347
  149   HG21  VAL  21          HG21      VAL  21   2.740   2.450   0.558
  150   HG22  VAL  21          HG22      VAL  21   1.185   2.237  -0.241
  151   HG23  VAL  21          HG23      VAL  21   1.378   3.480   0.995
  152    HA   PRO  22           HA       PRO  22   3.217  -0.536  -3.518
  153    HB2  PRO  22           HB2      PRO  22   2.958  -1.747  -0.819
  154    HB3  PRO  22           HB1      PRO  22   3.959  -2.243  -2.183
  155    HG2  PRO  22           HG2      PRO  22   5.041  -1.057  -0.061
  156    HG3  PRO  22           HG1      PRO  22   5.620  -0.711  -1.696
  157    HD2  PRO  22           HD2      PRO  22   3.861   0.923   0.077
  158    HD3  PRO  22           HD1      PRO  22   5.145   1.446  -1.032
  159    H    GLU  23           HN       GLU  23   1.439  -1.877  -3.946
  160    HA   GLU  23           HA       GLU  23  -1.095  -0.800  -3.385
  161    HB2  GLU  23           HB2      GLU  23  -0.103  -2.633  -5.173
  162    HB3  GLU  23           HB1      GLU  23  -1.104  -3.633  -4.130
  163    HG2  GLU  23           HG2      GLU  23  -3.041  -2.403  -4.636
  164    HG3  GLU  23           HG1      GLU  23  -2.112  -1.091  -5.361
  165    H    ARG  24           HN       ARG  24   0.755  -3.339  -1.798
  166    HA   ARG  24           HA       ARG  24  -1.407  -4.367  -0.270
  167    HB2  ARG  24           HB2      ARG  24   0.330  -5.870  -0.269
  168    HB3  ARG  24           HB1      ARG  24   1.557  -4.622  -0.202
  169    HG2  ARG  24           HG2      ARG  24   1.626  -5.866   1.829
  170    HG3  ARG  24           HG1      ARG  24   0.993  -4.262   2.188
  171    HD2  ARG  24           HD2      ARG  24  -1.248  -5.106   2.280
  172    HD3  ARG  24           HD1      ARG  24  -0.725  -6.689   1.721
  173    HE   ARG  24           HE       ARG  24   0.655  -6.621   3.907
  174   HH11  ARG  24          HH11      ARG  24  -2.568  -5.330   3.487
  175   HH12  ARG  24          HH12      ARG  24  -2.995  -5.534   5.151
  176   HH21  ARG  24          HH21      ARG  24   0.085  -6.887   6.090
  177   HH22  ARG  24          HH22      ARG  24  -1.494  -6.417   6.627
  178    H    TRP  25           HN       TRP  25   0.738  -1.656   0.075
  179    HA   TRP  25           HA       TRP  25   0.135  -1.192   2.840
  180    HB2  TRP  25           HB2      TRP  25   1.433   0.589   0.768
  181    HB3  TRP  25           HB1      TRP  25   1.350   0.949   2.490
  182    HD1  TRP  25           HD1      TRP  25   2.039  -2.661   1.702
  183    HE1  TRP  25           HE1      TRP  25   4.505  -3.205   2.167
  184    HE3  TRP  25           HE3      TRP  25   3.807   2.091   2.404
  185    HZ2  TRP  25           HZ2      TRP  25   6.889  -1.818   2.736
  186    HZ3  TRP  25           HZ3      TRP  25   6.199   2.387   2.911
  187    HH2  TRP  25           HH2      TRP  25   7.704   0.473   3.073
  188    H    LEU  26           HN       LEU  26  -1.341  -0.424  -0.176
  189    HA   LEU  26           HA       LEU  26  -2.659   1.909   0.126
  190    HB2  LEU  26           HB2      LEU  26  -3.107  -0.519  -1.307
  191    HB3  LEU  26           HB1      LEU  26  -4.636   0.088  -0.738
  192    HG   LEU  26           HG       LEU  26  -4.504   2.014  -2.045
  193   HD11  LEU  26          HD11      LEU  26  -2.496   3.047  -1.710
  194   HD12  LEU  26          HD12      LEU  26  -2.236   2.404  -3.332
  195   HD13  LEU  26          HD13      LEU  26  -1.571   1.561  -1.934
  196   HD21  LEU  26          HD21      LEU  26  -3.170  -0.215  -3.560
  197   HD22  LEU  26          HD22      LEU  26  -3.853   1.232  -4.305
  198   HD23  LEU  26          HD23      LEU  26  -4.900   0.109  -3.437
  199    H    CYS  27           HN       CYS  27  -4.318  -1.099   1.043
  200    HA   CYS  27           HA       CYS  27  -5.673   0.410   3.175
  201    HB2  CYS  27           HB2      CYS  27  -6.537  -1.815   1.382
  202    HB3  CYS  27           HB1      CYS  27  -7.242  -1.708   2.992
  203    H    ASP  28           HN       ASP  28  -3.158  -0.436   3.779
  204    HA   ASP  28           HA       ASP  28  -3.123  -3.019   4.994
  205    HB2  ASP  28           HB2      ASP  28  -0.955  -2.357   5.881
  206    HB3  ASP  28           HB1      ASP  28  -1.078  -1.898   4.187
  207    H    GLY  29           HN       GLY  29  -4.580  -0.135   5.890
  208    HA2  GLY  29           HA2      GLY  29  -6.012  -0.300   7.877
  209    HA3  GLY  29           HA1      GLY  29  -4.634  -1.000   8.710
  210    H    ASP  30           HN       ASP  30  -3.035   1.160   7.088
  211    HA   ASP  30           HA       ASP  30  -3.737   3.468   8.766
  212    HB2  ASP  30           HB2      ASP  30  -1.263   3.841   9.115
  213    HB3  ASP  30           HB1      ASP  30  -1.935   2.450   9.961
  214    H    LYS  31           HN       LYS  31  -2.419   5.458   8.033
  215    HA   LYS  31           HA       LYS  31  -2.567   5.533   5.114
  216    HB2  LYS  31           HB2      LYS  31  -2.597   7.753   7.151
  217    HB3  LYS  31           HB1      LYS  31  -2.555   8.022   5.419
  218    HG2  LYS  31           HG2      LYS  31  -4.695   7.059   5.122
  219    HG3  LYS  31           HG1      LYS  31  -4.716   6.438   6.774
  220    HD2  LYS  31           HD2      LYS  31  -5.228   8.470   7.675
  221    HD3  LYS  31           HD1      LYS  31  -4.384   9.364   6.408
  222    HE2  LYS  31           HE2      LYS  31  -6.251   9.605   5.218
  223    HE3  LYS  31           HE1      LYS  31  -6.640   7.892   5.353
  224    HZ1  LYS  31           HZ1      LYS  31  -8.016   8.251   7.079
  225    HZ2  LYS  31           HZ2      LYS  31  -8.099   9.820   6.453
  226    HZ3  LYS  31           HZ3      LYS  31  -7.064   9.480   7.747
  227    H    ASP  32           HN       ASP  32  -0.750   5.283   4.039
  228    HA   ASP  32           HA       ASP  32   1.793   5.904   5.312
  229    HB2  ASP  32           HB2      ASP  32   0.930   4.259   3.012
  230    HB3  ASP  32           HB1      ASP  32   2.485   5.061   2.826
  231    H    CYS  33           HN       CYS  33  -0.267   7.074   2.729
  232    HA   CYS  33           HA       CYS  33   1.667   8.862   1.623
  233    HB2  CYS  33           HB2      CYS  33  -1.321   8.607   1.358
  234    HB3  CYS  33           HB1      CYS  33  -0.448   9.937   0.611
  235    H    ALA  34           HN       ALA  34   0.728  11.290   1.425
  236    HA   ALA  34           HA       ALA  34   1.112  12.399   4.026
  237    HB1  ALA  34           HB1      ALA  34   1.102  14.511   2.959
  238    HB2  ALA  34           HB2      ALA  34   0.227  13.879   1.564
  239    HB3  ALA  34           HB3      ALA  34   1.898  13.394   1.849
  240    H    ASP  35           HN       ASP  35  -1.653  11.892   1.917
  241    HA   ASP  35           HA       ASP  35  -3.398  12.837   4.095
  242    HB2  ASP  35           HB2      ASP  35  -3.438  13.475   1.193
  243    HB3  ASP  35           HB1      ASP  35  -4.995  13.235   1.980
  244    H    GLY  36           HN       GLY  36  -2.463  10.146   3.646
  245    HA2  GLY  36           HA2      GLY  36  -3.309   8.013   3.648
  246    HA3  GLY  36           HA1      GLY  36  -4.876   8.746   3.938
  247    H    ALA  37           HN       ALA  37  -3.153   9.646   1.074
  248    HA   ALA  37           HA       ALA  37  -5.210   8.917  -0.672
  249    HB1  ALA  37           HB1      ALA  37  -3.843  10.428  -1.674
  250    HB2  ALA  37           HB2      ALA  37  -3.151   8.957  -2.358
  251    HB3  ALA  37           HB3      ALA  37  -2.380   9.734  -0.975
  252    H    ASP  38           HN       ASP  38  -2.538   7.126   0.613
  253    HA   ASP  38           HA       ASP  38  -2.470   4.977  -1.217
  254    HB2  ASP  38           HB2      ASP  38  -0.674   5.500   0.398
  255    HB3  ASP  38           HB1      ASP  38  -1.742   5.077   1.715
  256    H    GLU  39           HN       GLU  39  -4.432   5.739   1.555
  257    HA   GLU  39           HA       GLU  39  -5.727   3.122   1.538
  258    HB2  GLU  39           HB2      GLU  39  -6.242   5.499   3.334
  259    HB3  GLU  39           HB1      GLU  39  -6.845   3.867   3.562
  260    HG2  GLU  39           HG2      GLU  39  -4.849   4.665   4.964
  261    HG3  GLU  39           HG1      GLU  39  -4.794   3.061   4.247
  262    H    SER  40           HN       SER  40  -6.240   6.417   0.605
  263    HA   SER  40           HA       SER  40  -9.041   6.398   0.365
  264    HB2  SER  40           HB2      SER  40  -7.038   8.017  -1.219
  265    HB3  SER  40           HB1      SER  40  -8.756   8.371  -1.051
  266    HG   SER  40           HG       SER  40  -6.701   8.919   0.642
  267    H    ILE  41           HN       ILE  41 -10.235   6.553  -1.687
  268    HA   ILE  41           HA       ILE  41  -9.913   4.212  -3.211
  269    HB   ILE  41           HB       ILE  41 -12.061   5.406  -2.813
  270   HG12  ILE  41          HG12      ILE  41 -12.726   5.211  -5.376
  271   HG13  ILE  41          HG11      ILE  41 -11.128   4.484  -5.484
  272   HG21  ILE  41          HG21      ILE  41 -11.081   7.270  -4.965
  273   HG22  ILE  41          HG22      ILE  41 -11.231   7.676  -3.254
  274   HG23  ILE  41          HG23      ILE  41 -12.670   7.291  -4.200
  275   HD11  ILE  41          HD11      ILE  41 -12.972   3.522  -3.369
  276   HD12  ILE  41          HD12      ILE  41 -11.729   2.653  -4.271
  277   HD13  ILE  41          HD13      ILE  41 -13.271   3.036  -5.038
  278    H    ALA  42           HN       ALA  42  -8.663   7.416  -3.568
  279    HA   ALA  42           HA       ALA  42  -8.200   7.656  -6.271
  280    HB1  ALA  42           HB1      ALA  42  -7.688   9.454  -4.777
  281    HB2  ALA  42           HB2      ALA  42  -6.208   9.010  -5.626
  282    HB3  ALA  42           HB3      ALA  42  -6.457   8.489  -3.959
  283    H    ALA  43           HN       ALA  43  -6.696   5.530  -3.984
  284    HA   ALA  43           HA       ALA  43  -4.558   4.798  -5.827
  285    HB1  ALA  43           HB1      ALA  43  -4.343   5.091  -3.263
  286    HB2  ALA  43           HB2      ALA  43  -3.525   3.737  -4.045
  287    HB3  ALA  43           HB3      ALA  43  -5.045   3.475  -3.191
  288    H    GLY  44           HN       GLY  44  -7.672   3.719  -4.824
  289    HA2  GLY  44           HA2      GLY  44  -8.857   2.128  -6.189
  290    HA3  GLY  44           HA1      GLY  44  -7.328   1.305  -6.478
  291    H    CYS  45           HN       CYS  45  -8.485   2.481  -3.386
  292    HA   CYS  45           HA       CYS  45  -8.135  -0.142  -2.229
  293    HB2  CYS  45           HB2      CYS  45  -8.114   2.569  -1.304
  294    HB3  CYS  45           HB1      CYS  45  -9.262   1.646  -0.341
  295    H    LEU  46           HN       LEU  46 -10.556   1.022  -3.998
  296    HA   LEU  46           HA       LEU  46 -12.744   0.492  -4.271
  297    HB2  LEU  46           HB2      LEU  46 -12.373  -1.551  -2.093
  298    HB3  LEU  46           HB1      LEU  46 -13.560  -1.564  -3.381
  299    HG   LEU  46           HG       LEU  46 -12.081  -3.128  -4.163
  300   HD11  LEU  46          HD11      LEU  46 -12.239  -1.033  -5.682
  301   HD12  LEU  46          HD12      LEU  46 -11.057  -2.289  -6.051
  302   HD13  LEU  46          HD13      LEU  46 -10.546  -0.807  -5.243
  303   HD21  LEU  46          HD21      LEU  46 -10.468  -2.380  -2.185
  304   HD22  LEU  46          HD22      LEU  46  -9.573  -1.686  -3.537
  305   HD23  LEU  46          HD23      LEU  46  -9.929  -3.414  -3.509
  306    H    TYR  47           HN       TYR  47 -11.694   2.228  -1.920
  307    HA   TYR  47           HA       TYR  47 -14.076   3.314  -1.085
  308    HB2  TYR  47           HB2      TYR  47 -14.276   2.482   1.250
  309    HB3  TYR  47           HB1      TYR  47 -14.593   1.232   0.057
  310    HD1  TYR  47           HD1      TYR  47 -11.836   2.580   2.177
  311    HD2  TYR  47           HD2      TYR  47 -13.517  -0.813   0.240
  312    HE1  TYR  47           HE1      TYR  47 -10.154   1.150   3.248
  313    HE2  TYR  47           HE2      TYR  47 -11.844  -2.259   1.309
  314    HH   TYR  47           HH       TYR  47  -9.766  -1.119   3.826
  315    H    ASN  48           HN       ASN  48 -13.551   4.185   1.483
  316    HA   ASN  48           HA       ASN  48 -10.839   4.929   1.865
  317    HB2  ASN  48           HB2      ASN  48 -11.150   6.381   0.002
  318    HB3  ASN  48           HB1      ASN  48 -12.698   6.940   0.612
  319   HD21  ASN  48          HD21      ASN  48  -9.588   6.548   2.245
  320   HD22  ASN  48          HD22      ASN  48  -9.422   8.205   2.702
  321    H    SER  49           HN       SER  49 -13.870   6.742   2.344
  322    HA   SER  49           HA       SER  49 -13.269   7.012   5.163
  323    HB2  SER  49           HB2      SER  49 -14.968   8.365   3.224
  324    HB3  SER  49           HB1      SER  49 -15.813   8.062   4.743
  325    HG   SER  49           HG       SER  49 -13.844   8.989   5.744
  326    H    THR  50           HN       THR  50 -13.452   4.491   5.143
  327    HA   THR  50           HA       THR  50 -15.940   3.881   6.460
  328    HB   THR  50           HB       THR  50 -16.407   1.885   5.031
  329    HG1  THR  50           HG1      THR  50 -14.236   1.903   4.086
  330   HG21  THR  50          HG21      THR  50 -16.465   4.454   3.470
  331   HG22  THR  50          HG22      THR  50 -17.661   3.974   4.674
  332   HG23  THR  50          HG23      THR  50 -17.461   3.024   3.201
  333    H    GLY  51           HN       GLY  51 -15.318   2.859   8.242
  334    HA2  GLY  51           HA2      GLY  51 -14.162   1.494   9.680
  335    HA3  GLY  51           HA1      GLY  51 -13.956   0.429   8.298
  336    H    SER  52           HN       SER  52 -11.916   0.033   9.586
  337    HA   SER  52           HA       SER  52  -9.841   1.948   8.739
  338    HB2  SER  52           HB2      SER  52  -8.645   1.613  10.727
  339    HB3  SER  52           HB1      SER  52 -10.320   1.674  11.273
  340    HG   SER  52           HG       SER  52 -10.228  -0.710  11.048
  341    H    GLY  53           HN       GLY  53 -10.903  -0.347   7.275
  342    HA2  GLY  53           HA2      GLY  53  -8.954  -1.386   5.887
  343    HA3  GLY  53           HA1      GLY  53  -8.677  -2.256   7.388
  344    H    SER  54           HN       SER  54  -9.630  -2.963   4.548
  345    HA   SER  54           HA       SER  54 -11.065  -4.424   3.556
  346    HB2  SER  54           HB2      SER  54 -11.580  -6.410   4.774
  347    HB3  SER  54           HB1      SER  54 -10.012  -5.855   5.360
  348    HG   SER  54           HG       SER  54 -10.859  -5.427   7.257
  349    H    GLY  55           HN       GLY  55 -12.684  -2.995   2.952
  350    HA2  GLY  55           HA2      GLY  55 -15.160  -3.270   4.499
  351    HA3  GLY  55           HA1      GLY  55 -14.603  -1.652   4.102
  352    H    SER  56           HN       SER  56 -13.862  -3.968   1.719
  353    HA   SER  56           HA       SER  56 -16.198  -3.116   0.138
  354    HB2  SER  56           HB2      SER  56 -13.356  -2.955  -0.444
  355    HB3  SER  56           HB1      SER  56 -14.214  -3.872  -1.682
  356    HG   SER  56           HG       SER  56 -15.435  -2.133  -2.147
  357    H    GLY  57           HN       GLY  57 -13.926  -5.721   0.845
  358    HA2  GLY  57           HA2      GLY  57 -15.327  -7.885   1.059
  359    HA3  GLY  57           HA1      GLY  57 -15.629  -7.596  -0.647
  360    H    SER 129           HN       SER 129 -14.663  -9.772  -0.836
  361    HA   SER 129           HA       SER 129 -12.023 -10.381  -0.197
  362    HB2  SER 129           HB2      SER 129 -13.751 -11.358  -2.479
  363    HB3  SER 129           HB1      SER 129 -12.188 -12.061  -2.064
  364    HG   SER 129           HG       SER 129 -13.804 -13.230  -1.045
  365    H    THR 130           HN       THR 130 -13.357  -8.591  -2.895
  366    HA   THR 130           HA       THR 130 -11.169  -8.575  -4.615
  367    HB   THR 130           HB       THR 130 -13.016  -6.233  -4.150
  368    HG1  THR 130           HG1      THR 130 -13.441  -8.653  -5.546
  369   HG21  THR 130          HG21      THR 130 -11.214  -7.054  -6.344
  370   HG22  THR 130          HG22      THR 130 -11.644  -5.444  -5.763
  371   HG23  THR 130          HG23      THR 130 -12.769  -6.345  -6.781
  372    H    GLU 131           HN       GLU 131 -11.815  -6.691  -1.728
  373    HA   GLU 131           HA       GLU 131  -9.851  -4.724  -2.002
  374    HB2  GLU 131           HB2      GLU 131 -11.737  -5.034  -0.222
  375    HB3  GLU 131           HB1      GLU 131 -10.509  -5.925   0.667
  376    HG2  GLU 131           HG2      GLU 131 -10.426  -3.043  -0.180
  377    HG3  GLU 131           HG1      GLU 131 -10.516  -3.685   1.459
  378    H    GLU 132           HN       GLU 132  -9.667  -7.772  -0.164
  379    HA   GLU 132           HA       GLU 132  -6.879  -7.543   0.331
  380    HB2  GLU 132           HB2      GLU 132  -8.271 -10.192   0.352
  381    HB3  GLU 132           HB1      GLU 132  -7.038  -9.574   1.442
  382    HG2  GLU 132           HG2      GLU 132  -9.125  -7.862   1.884
  383    HG3  GLU 132           HG1      GLU 132  -9.942  -9.396   1.593
  384    H    LEU 133           HN       LEU 133  -8.758  -8.830  -2.280
  385    HA   LEU 133           HA       LEU 133  -7.057 -10.669  -3.424
  386    HB2  LEU 133           HB2      LEU 133  -9.264  -8.997  -4.297
  387    HB3  LEU 133           HB1      LEU 133  -8.112  -9.280  -5.587
  388    HG   LEU 133           HG       LEU 133  -8.372 -11.686  -5.339
  389   HD11  LEU 133          HD11      LEU 133  -9.061 -11.225  -2.781
  390   HD12  LEU 133          HD12      LEU 133  -9.429 -12.722  -3.638
  391   HD13  LEU 133          HD13      LEU 133 -10.657 -11.465  -3.490
  392   HD21  LEU 133          HD21      LEU 133  -9.937 -11.252  -6.876
  393   HD22  LEU 133          HD22      LEU 133 -10.570  -9.873  -5.976
  394   HD23  LEU 133          HD23      LEU 133 -11.097 -11.507  -5.573
  395    H    ARG 134           HN       ARG 134  -6.950  -7.143  -3.685
  396    HA   ARG 134           HA       ARG 134  -4.612  -7.294  -5.419
  397    HB2  ARG 134           HB2      ARG 134  -4.826  -4.852  -5.573
  398    HB3  ARG 134           HB1      ARG 134  -6.329  -5.664  -5.985
  399    HG2  ARG 134           HG2      ARG 134  -7.140  -5.199  -3.679
  400    HG3  ARG 134           HG1      ARG 134  -5.675  -4.255  -3.407
  401    HD2  ARG 134           HD2      ARG 134  -8.023  -3.242  -4.330
  402    HD3  ARG 134           HD1      ARG 134  -6.443  -2.505  -4.583
  403    HE   ARG 134           HE       ARG 134  -6.583  -3.044  -6.806
  404   HH11  ARG 134          HH11      ARG 134  -9.012  -4.833  -5.052
  405   HH12  ARG 134          HH12      ARG 134  -9.790  -5.422  -6.482
  406   HH21  ARG 134          HH21      ARG 134  -7.605  -3.816  -8.688
  407   HH22  ARG 134          HH22      ARG 134  -8.992  -4.845  -8.547
  408    H    VAL 135           HN       VAL 135  -5.492  -6.279  -2.164
  409    HA   VAL 135           HA       VAL 135  -2.938  -5.184  -1.529
  410    HB   VAL 135           HB       VAL 135  -5.100  -6.131   0.354
  411   HG11  VAL 135          HG11      VAL 135  -2.815  -5.785   1.330
  412   HG12  VAL 135          HG12      VAL 135  -4.086  -4.778   2.022
  413   HG13  VAL 135          HG13      VAL 135  -2.951  -4.090   0.862
  414   HG21  VAL 135          HG21      VAL 135  -6.318  -4.426  -0.381
  415   HG22  VAL 135          HG22      VAL 135  -5.025  -3.921  -1.469
  416   HG23  VAL 135          HG23      VAL 135  -5.062  -3.329   0.191
  417    H    ARG 136           HN       ARG 136  -4.250  -8.387  -1.530
  418    HA   ARG 136           HA       ARG 136  -2.476  -9.538   0.373
  419    HB2  ARG 136           HB2      ARG 136  -4.313 -10.619  -1.727
  420    HB3  ARG 136           HB1      ARG 136  -3.135 -11.688  -0.979
  421    HG2  ARG 136           HG2      ARG 136  -4.060 -11.238   1.209
  422    HG3  ARG 136           HG1      ARG 136  -5.195 -10.079   0.514
  423    HD2  ARG 136           HD2      ARG 136  -6.049 -12.439   1.025
  424    HD3  ARG 136           HD1      ARG 136  -6.434 -11.746  -0.548
  425    HE   ARG 136           HE       ARG 136  -4.442 -13.086  -1.355
  426   HH11  ARG 136          HH11      ARG 136  -6.415 -14.114   1.346
  427   HH12  ARG 136          HH12      ARG 136  -6.058 -15.790   1.119
  428   HH21  ARG 136          HH21      ARG 136  -3.983 -15.289  -1.644
  429   HH22  ARG 136          HH22      ARG 136  -4.682 -16.458  -0.574
  430    H    LEU 137           HN       LEU 137  -2.520  -9.649  -3.187
  431    HA   LEU 137           HA       LEU 137  -0.319 -11.136  -3.719
  432    HB2  LEU 137           HB2      LEU 137  -1.915  -9.958  -5.325
  433    HB3  LEU 137           HB1      LEU 137  -0.828  -8.586  -5.211
  434    HG   LEU 137           HG       LEU 137  -0.446 -10.039  -7.205
  435   HD11  LEU 137          HD11      LEU 137   1.745  -9.517  -7.206
  436   HD12  LEU 137          HD12      LEU 137   2.045 -10.320  -5.664
  437   HD13  LEU 137          HD13      LEU 137   1.343  -8.702  -5.694
  438   HD21  LEU 137          HD21      LEU 137   0.257 -12.222  -7.060
  439   HD22  LEU 137          HD22      LEU 137  -0.873 -12.148  -5.708
  440   HD23  LEU 137          HD23      LEU 137   0.863 -12.033  -5.414
  441    H    ALA 138           HN       ALA 138  -0.324  -7.837  -2.540
  442    HA   ALA 138           HA       ALA 138   2.572  -7.641  -2.856
  443    HB1  ALA 138           HB1      ALA 138   0.403  -5.681  -2.245
  444    HB2  ALA 138           HB2      ALA 138   1.576  -5.682  -3.563
  445    HB3  ALA 138           HB3      ALA 138   2.092  -5.287  -1.925
  446    H    SER 139           HN       SER 139   0.615  -8.921  -0.551
  447    HA   SER 139           HA       SER 139   1.829  -7.752   1.776
  448    HB2  SER 139           HB2      SER 139  -0.366  -8.417   2.154
  449    HB3  SER 139           HB1      SER 139  -0.152  -9.957   1.324
  450    HG   SER 139           HG       SER 139   0.939  -9.207   3.836
  451    H    HIS 140           HN       HIS 140   2.815 -10.199  -0.365
  452    HA   HIS 140           HA       HIS 140   4.355 -11.566   1.716
  453    HB2  HIS 140           HB2      HIS 140   5.006 -12.820  -0.667
  454    HB3  HIS 140           HB1      HIS 140   3.819 -13.368   0.509
  455    HD1  HIS 140           HD1      HIS 140   1.325 -12.038   0.001
  456    HD2  HIS 140           HD2      HIS 140   3.970 -12.758  -3.120
  457    HE1  HIS 140           HE1      HIS 140  -0.037 -11.931  -2.122
  458    H    LEU 141           HN       LEU 141   4.797  -8.958  -0.282
  459    HA   LEU 141           HA       LEU 141   7.705  -9.307  -0.123
  460    HB2  LEU 141           HB2      LEU 141   6.950  -9.793  -2.427
  461    HB3  LEU 141           HB1      LEU 141   6.265  -8.181  -2.517
  462    HG   LEU 141           HG       LEU 141   8.920  -7.779  -1.746
  463   HD11  LEU 141          HD11      LEU 141  10.221  -8.952  -3.423
  464   HD12  LEU 141          HD12      LEU 141   8.776  -9.799  -3.977
  465   HD13  LEU 141          HD13      LEU 141   9.407 -10.097  -2.356
  466   HD21  LEU 141          HD21      LEU 141   9.129  -6.885  -4.072
  467   HD22  LEU 141          HD22      LEU 141   7.740  -6.280  -3.168
  468   HD23  LEU 141          HD23      LEU 141   7.518  -7.525  -4.397
  469    H    ARG 142           HN       ARG 142   5.440  -6.828  -1.289
  470    HA   ARG 142           HA       ARG 142   6.819  -4.578  -0.715
  471    HB2  ARG 142           HB2      ARG 142   3.860  -4.920  -0.233
  472    HB3  ARG 142           HB1      ARG 142   4.698  -3.401  -0.520
  473    HG2  ARG 142           HG2      ARG 142   4.453  -5.676  -2.475
  474    HG3  ARG 142           HG1      ARG 142   3.556  -4.159  -2.521
  475    HD2  ARG 142           HD2      ARG 142   6.295  -3.505  -2.334
  476    HD3  ARG 142           HD1      ARG 142   6.144  -4.750  -3.574
  477    HE   ARG 142           HE       ARG 142   4.320  -3.222  -4.487
  478   HH11  ARG 142          HH11      ARG 142   7.193  -2.066  -2.859
  479   HH12  ARG 142          HH12      ARG 142   7.141  -0.516  -3.623
  480   HH21  ARG 142          HH21      ARG 142   4.255  -1.199  -5.466
  481   HH22  ARG 142          HH22      ARG 142   5.473  -0.021  -5.107
  482    H    LYS 143           HN       LYS 143   4.416  -5.895   1.578
  483    HA   LYS 143           HA       LYS 143   5.517  -4.283   3.701
  484    HB2  LYS 143           HB2      LYS 143   3.037  -4.954   3.298
  485    HB3  LYS 143           HB1      LYS 143   3.485  -6.442   4.122
  486    HG2  LYS 143           HG2      LYS 143   2.557  -4.971   5.735
  487    HG3  LYS 143           HG1      LYS 143   4.293  -5.057   6.027
  488    HD2  LYS 143           HD2      LYS 143   4.112  -2.809   6.107
  489    HD3  LYS 143           HD1      LYS 143   4.203  -2.953   4.352
  490    HE2  LYS 143           HE2      LYS 143   2.290  -1.784   4.362
  491    HE3  LYS 143           HE1      LYS 143   1.541  -3.320   4.797
  492    HZ1  LYS 143           HZ1      LYS 143   0.829  -1.608   6.304
  493    HZ2  LYS 143           HZ2      LYS 143   2.427  -1.200   6.678
  494    HZ3  LYS 143           HZ3      LYS 143   1.808  -2.703   7.144
  495    H    LEU 144           HN       LEU 144   5.663  -7.624   2.675
  496    HA   LEU 144           HA       LEU 144   6.979  -8.459   5.121
  497    HB2  LEU 144           HB2      LEU 144   5.649  -9.753   2.913
  498    HB3  LEU 144           HB1      LEU 144   7.217 -10.487   3.193
  499    HG   LEU 144           HG       LEU 144   5.274 -10.067   5.446
  500   HD11  LEU 144          HD11      LEU 144   3.925 -11.365   4.102
  501   HD12  LEU 144          HD12      LEU 144   4.816 -12.589   5.006
  502   HD13  LEU 144          HD13      LEU 144   5.288 -12.196   3.353
  503   HD21  LEU 144          HD21      LEU 144   6.562 -11.654   6.587
  504   HD22  LEU 144          HD22      LEU 144   7.743 -10.626   5.775
  505   HD23  LEU 144          HD23      LEU 144   7.347 -12.210   5.109
  506    H    ARG 145           HN       ARG 145   7.957  -9.207   1.796
  507    HA   ARG 145           HA       ARG 145  10.714  -9.199   2.457
  508    HB2  ARG 145           HB2      ARG 145   9.295 -10.282   0.444
  509    HB3  ARG 145           HB1      ARG 145   9.927  -8.863  -0.382
  510    HG2  ARG 145           HG2      ARG 145  11.589 -10.340  -0.839
  511    HG3  ARG 145           HG1      ARG 145  12.195  -9.690   0.686
  512    HD2  ARG 145           HD2      ARG 145  11.962 -11.652   1.737
  513    HD3  ARG 145           HD1      ARG 145  10.364 -11.928   1.045
  514    HE   ARG 145           HE       ARG 145  11.326 -13.190  -0.615
  515   HH11  ARG 145          HH11      ARG 145  13.821 -11.459   1.106
  516   HH12  ARG 145          HH12      ARG 145  15.116 -12.330   0.356
  517   HH21  ARG 145          HH21      ARG 145  13.029 -14.336  -1.602
  518   HH22  ARG 145          HH22      ARG 145  14.667 -13.962  -1.182
  519    H    LYS 146           HN       LYS 146  11.269  -7.208   3.322
  520    HA   LYS 146           HA       LYS 146  11.036  -4.873   1.553
  521    HB2  LYS 146           HB2      LYS 146  10.177  -4.783   3.942
  522    HB3  LYS 146           HB1      LYS 146  11.856  -4.866   4.454
  523    HG2  LYS 146           HG2      LYS 146  10.931  -2.570   4.401
  524    HG3  LYS 146           HG1      LYS 146  12.358  -2.788   3.387
  525    HD2  LYS 146           HD2      LYS 146  11.021  -2.879   1.407
  526    HD3  LYS 146           HD1      LYS 146   9.530  -2.928   2.350
  527    HE2  LYS 146           HE2      LYS 146   9.573  -0.713   1.775
  528    HE3  LYS 146           HE1      LYS 146  10.453  -0.655   3.302
  529    HZ1  LYS 146           HZ1      LYS 146  11.625   0.613   1.663
  530    HZ2  LYS 146           HZ2      LYS 146  11.634  -0.685   0.578
  531    HZ3  LYS 146           HZ3      LYS 146  12.532  -0.773   2.009
  532    H    ARG 147           HN       ARG 147  12.925  -3.352   1.596
  533    HA   ARG 147           HA       ARG 147  15.211  -4.537   0.598
  534    HB2  ARG 147           HB2      ARG 147  14.320  -1.907   1.130
  535    HB3  ARG 147           HB1      ARG 147  15.915  -2.051   1.855
  536    HG2  ARG 147           HG2      ARG 147  15.182  -2.567  -1.017
  537    HG3  ARG 147           HG1      ARG 147  16.132  -1.222  -0.384
  538    HD2  ARG 147           HD2      ARG 147  17.790  -2.908   0.449
  539    HD3  ARG 147           HD1      ARG 147  16.883  -4.139  -0.429
  540    HE   ARG 147           HE       ARG 147  17.503  -2.075  -2.208
  541   HH11  ARG 147          HH11      ARG 147  19.132  -4.548  -0.362
  542   HH12  ARG 147          HH12      ARG 147  20.442  -4.700  -1.485
  543   HH21  ARG 147          HH21      ARG 147  19.225  -2.275  -3.688
  544   HH22  ARG 147          HH22      ARG 147  20.495  -3.410  -3.372
  545    H    LEU 148           HN       LEU 148  14.405  -3.731   3.916
  546    HA   LEU 148           HA       LEU 148  16.627  -5.372   4.827
  547    HB2  LEU 148           HB2      LEU 148  17.627  -3.177   4.776
  548    HB3  LEU 148           HB1      LEU 148  16.266  -2.488   5.639
  549    HG   LEU 148           HG       LEU 148  16.951  -4.154   7.527
  550   HD11  LEU 148          HD11      LEU 148  18.587  -5.471   6.507
  551   HD12  LEU 148          HD12      LEU 148  19.502  -4.347   7.511
  552   HD13  LEU 148          HD13      LEU 148  19.381  -4.078   5.772
  553   HD21  LEU 148          HD21      LEU 148  18.690  -2.443   8.294
  554   HD22  LEU 148          HD22      LEU 148  17.057  -1.860   7.972
  555   HD23  LEU 148          HD23      LEU 148  18.337  -1.597   6.787
  556    H    LEU 149           HN       LEU 149  14.623  -3.008   6.560
  557    HA   LEU 149           HA       LEU 149  13.152  -5.219   7.808
  558    HB2  LEU 149           HB2      LEU 149  15.033  -3.397   9.087
  559    HB3  LEU 149           HB1      LEU 149  13.456  -3.371   9.852
  560    HG   LEU 149           HG       LEU 149  13.652  -5.932   9.935
  561   HD11  LEU 149          HD11      LEU 149  15.849  -5.550   8.406
  562   HD12  LEU 149          HD12      LEU 149  15.574  -6.969   9.415
  563   HD13  LEU 149          HD13      LEU 149  16.574  -5.643  10.011
  564   HD21  LEU 149          HD21      LEU 149  15.342  -5.668  11.919
  565   HD22  LEU 149          HD22      LEU 149  13.741  -4.933  11.999
  566   HD23  LEU 149          HD23      LEU 149  15.143  -3.948  11.584
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   5.703  14.685   7.068
    2    H2   GLY   1           HT2      GLY   1   6.926  13.835   6.265
    3    H3   GLY   1           HT3      GLY   1   5.863  13.016   7.295
    4    HA2  GLY   1           HA1      GLY   1   4.015  13.784   5.761
    5    HA3  GLY   1           HA2      GLY   1   5.304  14.189   4.638
    6    H    SER   2           HN       SER   2   3.626  11.601   6.281
    7    HA   SER   2           HA       SER   2   3.332   9.407   5.755
    8    HB2  SER   2           HB2      SER   2   4.808   9.505   3.195
    9    HB3  SER   2           HB1      SER   2   3.195   8.886   3.546
   10    HG   SER   2           HG       SER   2   3.585  10.992   2.260
   11    H    LYS   2           HN       LYS   2   4.421   7.854   6.740
   12    HA   LYS   2           HA       LYS   2   7.308   7.974   6.918
   13    HB2  LYS   2           HB2      LYS   2   5.479   5.866   8.066
   14    HB3  LYS   2           HB1      LYS   2   7.123   6.239   8.564
   15    HG2  LYS   2           HG2      LYS   2   6.287   7.572  10.118
   16    HG3  LYS   2           HG1      LYS   2   5.702   8.631   8.833
   17    HD2  LYS   2           HD2      LYS   2   4.024   6.276   9.364
   18    HD3  LYS   2           HD1      LYS   2   4.117   7.440  10.688
   19    HE2  LYS   2           HE2      LYS   2   3.748   9.111   8.607
   20    HE3  LYS   2           HE1      LYS   2   2.888   7.689   8.018
   21    HZ1  LYS   2           HZ1      LYS   2   2.000   7.880  10.548
   22    HZ2  LYS   2           HZ2      LYS   2   1.200   8.518   9.202
   23    HZ3  LYS   2           HZ3      LYS   2   2.192   9.512  10.143
   24    H    LEU   2           HN       LEU   2   7.170   7.655   4.440
   25    HA   LEU   2           HA       LEU   2   7.461   4.774   3.899
   26    HB2  LEU   2           HB2      LEU   2   6.166   6.931   2.274
   27    HB3  LEU   2           HB1      LEU   2   6.850   5.522   1.489
   28    HG   LEU   2           HG       LEU   2   5.334   4.059   2.673
   29   HD11  LEU   2          HD11      LEU   2   4.822   6.501   4.261
   30   HD12  LEU   2          HD12      LEU   2   4.882   4.811   4.762
   31   HD13  LEU   2          HD13      LEU   2   3.447   5.441   3.954
   32   HD21  LEU   2          HD21      LEU   2   3.477   4.516   1.425
   33   HD22  LEU   2          HD22      LEU   2   4.648   5.558   0.619
   34   HD23  LEU   2          HD23      LEU   2   3.518   6.242   1.788
   35    H    GLU   3           HN       GLU   3   9.264   4.131   2.858
   36    HA   GLU   3           HA       GLU   3  11.281   6.180   2.300
   37    HB2  GLU   3           HB2      GLU   3  11.722   3.197   2.361
   38    HB3  GLU   3           HB1      GLU   3  12.919   4.474   2.533
   39    HG2  GLU   3           HG2      GLU   3  10.999   4.810   4.585
   40    HG3  GLU   3           HG1      GLU   3  11.464   3.111   4.550
   41    H    GLY   4           HN       GLY   4  12.821   4.391   0.546
   42    HA2  GLY   4           HA2      GLY   4  11.736   5.197  -1.937
   43    HA3  GLY   4           HA1      GLY   4  13.067   4.069  -1.717
   44    H    LYS   5           HN       LYS   5  12.264   1.861  -0.798
   45    HA   LYS   5           HA       LYS   5  11.198  -0.090  -1.275
   46    HB2  LYS   5           HB2      LYS   5   8.673   1.486  -1.677
   47    HB3  LYS   5           HB1      LYS   5   8.866  -0.127  -1.008
   48    HG2  LYS   5           HG2      LYS   5   8.911   0.707   1.036
   49    HG3  LYS   5           HG1      LYS   5  10.321   1.685   0.626
   50    HD2  LYS   5           HD2      LYS   5   8.979   3.435   1.029
   51    HD3  LYS   5           HD1      LYS   5   8.297   3.084  -0.560
   52    HE2  LYS   5           HE2      LYS   5   6.923   1.358   1.055
   53    HE3  LYS   5           HE1      LYS   5   7.138   2.756   2.109
   54    HZ1  LYS   5           HZ1      LYS   5   5.083   2.752   0.694
   55    HZ2  LYS   5           HZ2      LYS   5   6.084   2.978  -0.650
   56    HZ3  LYS   5           HZ3      LYS   5   6.040   4.140   0.573
   57    H    THR   6           HN       THR   6   8.970  -0.611  -2.947
   58    HA   THR   6           HA       THR   6  10.164  -0.057  -5.578
   59    HB   THR   6           HB       THR   6  10.308  -2.355  -5.368
   60    HG1  THR   6           HG1      THR   6   7.651  -2.151  -6.311
   61   HG21  THR   6          HG21      THR   6   8.207  -3.666  -4.519
   62   HG22  THR   6          HG22      THR   6   7.870  -2.149  -3.684
   63   HG23  THR   6          HG23      THR   6   9.385  -3.002  -3.387
   64    H    CYS   7           HN       CYS   7   8.890   0.636  -7.262
   65    HA   CYS   7           HA       CYS   7   6.044   1.067  -6.692
   66    HB2  CYS   7           HB2      CYS   7   7.363   3.151  -6.320
   67    HB3  CYS   7           HB1      CYS   7   7.801   3.123  -8.020
   68    H    GLY   8           HN       GLY   8   8.258  -0.301  -8.743
   69    HA2  GLY   8           HA2      GLY   8   7.169   0.312 -11.288
   70    HA3  GLY   8           HA1      GLY   8   8.170  -1.080 -10.904
   71    HA   PRO   9           HA       PRO   9   4.644  -3.739 -10.949
   72    HB2  PRO   9           HB2      PRO   9   4.939  -4.843  -8.283
   73    HB3  PRO   9           HB1      PRO   9   5.369  -5.569  -9.830
   74    HG2  PRO   9           HG2      PRO   9   7.201  -4.780  -7.966
   75    HG3  PRO   9           HG1      PRO   9   7.536  -4.863  -9.704
   76    HD2  PRO   9           HD2      PRO   9   6.885  -2.486  -8.007
   77    HD3  PRO   9           HD1      PRO   9   8.055  -2.638  -9.336
   78    H    SER  10           HN       SER  10   3.101  -4.737  -8.685
   79    HA   SER  10           HA       SER  10   1.015  -2.917  -8.618
   80    HB2  SER  10           HB2      SER  10   1.459  -4.765  -6.299
   81    HB3  SER  10           HB1      SER  10  -0.041  -4.366  -7.137
   82    HG   SER  10           HG       SER  10   1.883  -6.262  -7.738
   83    H    SER  11           HN       SER  11   1.903  -0.857  -8.176
   84    HA   SER  11           HA       SER  11   2.191  -0.310  -5.316
   85    HB2  SER  11           HB2      SER  11   3.978   1.151  -7.217
   86    HB3  SER  11           HB1      SER  11   4.199   0.828  -5.496
   87    HG   SER  11           HG       SER  11   4.918  -0.673  -7.675
   88    H    PHE  12           HN       PHE  12   2.288   2.206  -5.042
   89    HA   PHE  12           HA       PHE  12   0.696   3.634  -7.004
   90    HB2  PHE  12           HB2      PHE  12  -1.069   2.627  -5.728
   91    HB3  PHE  12           HB1      PHE  12  -0.291   3.054  -4.208
   92    HD1  PHE  12           HD1      PHE  12  -1.506   4.755  -7.302
   93    HD2  PHE  12           HD2      PHE  12  -1.176   4.823  -3.059
   94    HE1  PHE  12           HE1      PHE  12  -2.791   6.853  -7.240
   95    HE2  PHE  12           HE2      PHE  12  -2.462   6.920  -2.989
   96    HZ   PHE  12           HZ       PHE  12  -3.271   7.937  -5.081
   97    H    SER  13           HN       SER  13   1.828   5.460  -7.258
   98    HA   SER  13           HA       SER  13   3.642   6.473  -5.363
   99    HB2  SER  13           HB2      SER  13   4.319   7.561  -7.195
  100    HB3  SER  13           HB1      SER  13   2.852   7.085  -8.035
  101    HG   SER  13           HG       SER  13   3.545   9.501  -7.226
  102    H    CYS  14           HN       CYS  14   3.171   7.362  -3.487
  103    HA   CYS  14           HA       CYS  14   0.710   8.174  -2.573
  104    HB2  CYS  14           HB2      CYS  14   3.505   8.870  -1.782
  105    HB3  CYS  14           HB1      CYS  14   2.177   9.755  -1.048
  106    HA   PRO  15           HA       PRO  15  -0.055  11.590  -5.443
  107    HB2  PRO  15           HB2      PRO  15  -2.165  11.958  -3.358
  108    HB3  PRO  15           HB1      PRO  15  -2.302  12.018  -5.117
  109    HG2  PRO  15           HG2      PRO  15  -3.104   9.872  -3.746
  110    HG3  PRO  15           HG1      PRO  15  -2.330   9.718  -5.332
  111    HD2  PRO  15           HD2      PRO  15  -1.250   9.114  -2.640
  112    HD3  PRO  15           HD1      PRO  15  -0.829   8.412  -4.209
  113    H    GLY  16           HN       GLY  16   1.045  13.441  -5.351
  114    HA2  GLY  16           HA2      GLY  16   1.446  15.611  -4.516
  115    HA3  GLY  16           HA1      GLY  16   0.890  15.082  -2.936
  116    H    THR  17           HN       THR  17   2.614  12.654  -3.095
  117    HA   THR  17           HA       THR  17   5.198  13.972  -2.576
  118    HB   THR  17           HB       THR  17   5.577  12.070  -0.949
  119    HG1  THR  17           HG1      THR  17   2.774  11.751  -1.211
  120   HG21  THR  17          HG21      THR  17   4.109  14.444  -0.576
  121   HG22  THR  17          HG22      THR  17   5.021  13.518   0.617
  122   HG23  THR  17          HG23      THR  17   3.310  13.177   0.355
  123    H    HIS  18           HN       HIS  18   6.997  13.136  -3.485
  124    HA   HIS  18           HA       HIS  18   6.849  11.512  -5.738
  125    HB2  HIS  18           HB2      HIS  18   9.353  11.275  -5.435
  126    HB3  HIS  18           HB1      HIS  18   8.747  12.928  -5.475
  127    HD1  HIS  18           HD1      HIS  18  10.454  10.476  -3.247
  128    HD2  HIS  18           HD2      HIS  18   8.840  14.297  -3.022
  129    HE1  HIS  18           HE1      HIS  18  11.287  11.473  -1.077
  130    H    VAL  19           HN       VAL  19   6.984  10.674  -2.404
  131    HA   VAL  19           HA       VAL  19   8.102   8.128  -2.472
  132    HB   VAL  19           HB       VAL  19   7.635   9.253  -0.385
  133   HG11  VAL  19          HG11      VAL  19   5.209   9.892  -1.517
  134   HG12  VAL  19          HG12      VAL  19   5.692  10.198   0.151
  135   HG13  VAL  19          HG13      VAL  19   4.779   8.743  -0.250
  136   HG21  VAL  19          HG21      VAL  19   7.470   7.300   0.665
  137   HG22  VAL  19          HG22      VAL  19   7.113   6.563  -0.896
  138   HG23  VAL  19          HG23      VAL  19   5.796   7.096   0.149
  139    H    CYS  20           HN       CYS  20   7.281   6.075  -2.801
  140    HA   CYS  20           HA       CYS  20   4.634   5.961  -4.080
  141    HB2  CYS  20           HB2      CYS  20   7.226   4.811  -4.824
  142    HB3  CYS  20           HB1      CYS  20   5.886   3.677  -4.906
  143    H    VAL  21           HN       VAL  21   3.127   4.946  -2.980
  144    HA   VAL  21           HA       VAL  21   3.889   3.111  -0.843
  145    HB   VAL  21           HB       VAL  21   2.318   4.810  -0.191
  146   HG11  VAL  21          HG11      VAL  21  -0.003   4.774  -1.238
  147   HG12  VAL  21          HG12      VAL  21   0.733   3.871  -2.559
  148   HG13  VAL  21          HG13      VAL  21   1.297   5.499  -2.182
  149   HG21  VAL  21          HG21      VAL  21   0.444   3.433   0.612
  150   HG22  VAL  21          HG22      VAL  21   2.007   2.655   0.860
  151   HG23  VAL  21          HG23      VAL  21   0.959   2.135  -0.462
  152    HA   PRO  22           HA       PRO  22   3.119  -0.348  -3.567
  153    HB2  PRO  22           HB2      PRO  22   2.999  -1.885  -1.049
  154    HB3  PRO  22           HB1      PRO  22   4.055  -2.089  -2.448
  155    HG2  PRO  22           HG2      PRO  22   4.972  -1.091  -0.137
  156    HG3  PRO  22           HG1      PRO  22   5.571  -0.518  -1.702
  157    HD2  PRO  22           HD2      PRO  22   3.626   0.762   0.168
  158    HD3  PRO  22           HD1      PRO  22   4.903   1.500  -0.819
  159    H    GLU  23           HN       GLU  23   1.451  -1.783  -4.080
  160    HA   GLU  23           HA       GLU  23  -1.146  -0.956  -3.526
  161    HB2  GLU  23           HB2      GLU  23   0.030  -2.758  -5.251
  162    HB3  GLU  23           HB1      GLU  23  -0.946  -3.791  -4.214
  163    HG2  GLU  23           HG2      GLU  23  -2.909  -2.403  -4.712
  164    HG3  GLU  23           HG1      GLU  23  -1.920  -1.424  -5.796
  165    H    ARG  24           HN       ARG  24   0.886  -3.283  -1.879
  166    HA   ARG  24           HA       ARG  24  -1.185  -4.479  -0.341
  167    HB2  ARG  24           HB2      ARG  24   0.673  -5.830  -0.351
  168    HB3  ARG  24           HB1      ARG  24   1.791  -4.479  -0.307
  169    HG2  ARG  24           HG2      ARG  24   2.008  -5.690   1.729
  170    HG3  ARG  24           HG1      ARG  24   1.210  -4.163   2.098
  171    HD2  ARG  24           HD2      ARG  24  -0.808  -5.169   2.535
  172    HD3  ARG  24           HD1      ARG  24  -0.463  -6.554   1.504
  173    HE   ARG  24           HE       ARG  24   1.319  -6.907   3.448
  174   HH11  ARG  24          HH11      ARG  24  -2.080  -6.125   3.617
  175   HH12  ARG  24          HH12      ARG  24  -2.309  -6.904   5.145
  176   HH21  ARG  24          HH21      ARG  24   1.018  -7.926   5.459
  177   HH22  ARG  24          HH22      ARG  24  -0.551  -7.924   6.192
  178    H    TRP  25           HN       TRP  25   0.671  -1.568  -0.084
  179    HA   TRP  25           HA       TRP  25  -0.068  -1.106   2.683
  180    HB2  TRP  25           HB2      TRP  25   1.408   0.635   0.702
  181    HB3  TRP  25           HB1      TRP  25   1.167   1.027   2.400
  182    HD1  TRP  25           HD1      TRP  25   2.088  -2.554   1.460
  183    HE1  TRP  25           HE1      TRP  25   4.479  -3.039   2.272
  184    HE3  TRP  25           HE3      TRP  25   3.438   2.170   2.885
  185    HZ2  TRP  25           HZ2      TRP  25   6.653  -1.612   3.363
  186    HZ3  TRP  25           HZ3      TRP  25   5.696   2.523   3.804
  187    HH2  TRP  25           HH2      TRP  25   7.267   0.669   4.034
  188    H    LEU  26           HN       LEU  26  -1.702  -0.850  -0.173
  189    HA   LEU  26           HA       LEU  26  -2.861   1.718   0.000
  190    HB2  LEU  26           HB2      LEU  26  -3.409  -0.778  -1.473
  191    HB3  LEU  26           HB1      LEU  26  -4.776   0.292  -1.259
  192    HG   LEU  26           HG       LEU  26  -3.813   1.992  -2.531
  193   HD11  LEU  26          HD11      LEU  26  -1.281   1.402  -3.314
  194   HD12  LEU  26          HD12      LEU  26  -1.287   0.797  -1.656
  195   HD13  LEU  26          HD13      LEU  26  -1.697   2.482  -1.981
  196   HD21  LEU  26          HD21      LEU  26  -4.507   0.371  -4.056
  197   HD22  LEU  26          HD22      LEU  26  -3.164  -0.704  -3.663
  198   HD23  LEU  26          HD23      LEU  26  -2.871   0.776  -4.579
  199    H    CYS  27           HN       CYS  27  -4.294  -1.444   0.823
  200    HA   CYS  27           HA       CYS  27  -6.075  -0.025   2.691
  201    HB2  CYS  27           HB2      CYS  27  -6.474  -2.820   1.617
  202    HB3  CYS  27           HB1      CYS  27  -7.649  -1.812   2.454
  203    H    ASP  28           HN       ASP  28  -3.468  -0.516   3.497
  204    HA   ASP  28           HA       ASP  28  -3.098  -2.928   4.887
  205    HB2  ASP  28           HB2      ASP  28  -1.061  -2.013   5.039
  206    HB3  ASP  28           HB1      ASP  28  -1.694  -0.451   4.539
  207    H    GLY  29           HN       GLY  29  -5.083  -0.221   5.554
  208    HA2  GLY  29           HA2      GLY  29  -6.825  -0.609   7.232
  209    HA3  GLY  29           HA1      GLY  29  -5.574  -1.284   8.261
  210    H    ASP  30           HN       ASP  30  -4.051   1.203   6.878
  211    HA   ASP  30           HA       ASP  30  -5.169   3.328   8.521
  212    HB2  ASP  30           HB2      ASP  30  -2.333   2.327   8.874
  213    HB3  ASP  30           HB1      ASP  30  -2.975   3.805   9.584
  214    H    LYS  31           HN       LYS  31  -3.669   5.378   8.202
  215    HA   LYS  31           HA       LYS  31  -3.304   5.588   5.311
  216    HB2  LYS  31           HB2      LYS  31  -3.388   7.717   7.455
  217    HB3  LYS  31           HB1      LYS  31  -3.215   8.032   5.737
  218    HG2  LYS  31           HG2      LYS  31  -5.390   7.061   5.308
  219    HG3  LYS  31           HG1      LYS  31  -5.568   6.662   7.017
  220    HD2  LYS  31           HD2      LYS  31  -6.086   8.784   7.590
  221    HD3  LYS  31           HD1      LYS  31  -4.949   9.481   6.435
  222    HE2  LYS  31           HE2      LYS  31  -6.683   9.997   5.147
  223    HE3  LYS  31           HE1      LYS  31  -6.930   8.271   4.883
  224    HZ1  LYS  31           HZ1      LYS  31  -8.159   8.516   7.187
  225    HZ2  LYS  31           HZ2      LYS  31  -8.948   8.817   5.722
  226    HZ3  LYS  31           HZ3      LYS  31  -8.362  10.106   6.646
  227    H    ASP  32           HN       ASP  32  -1.335   5.035   4.621
  228    HA   ASP  32           HA       ASP  32   1.006   5.650   6.250
  229    HB2  ASP  32           HB2      ASP  32   2.230   4.158   4.869
  230    HB3  ASP  32           HB1      ASP  32   0.671   3.396   5.148
  231    H    CYS  33           HN       CYS  33  -0.460   6.475   3.168
  232    HA   CYS  33           HA       CYS  33   1.673   7.998   2.128
  233    HB2  CYS  33           HB2      CYS  33  -1.255   7.801   1.589
  234    HB3  CYS  33           HB1      CYS  33  -0.408   9.210   0.967
  235    H    ALA  34           HN       ALA  34   0.839  10.496   1.575
  236    HA   ALA  34           HA       ALA  34   1.379  11.897   3.961
  237    HB1  ALA  34           HB1      ALA  34   0.092  13.368   1.750
  238    HB2  ALA  34           HB2      ALA  34   1.585  12.514   1.363
  239    HB3  ALA  34           HB3      ALA  34   1.569  13.724   2.646
  240    H    ASP  35           HN       ASP  35  -1.624  11.462   2.105
  241    HA   ASP  35           HA       ASP  35  -3.109  12.326   4.495
  242    HB2  ASP  35           HB2      ASP  35  -3.006  13.810   2.233
  243    HB3  ASP  35           HB1      ASP  35  -4.399  12.794   1.878
  244    H    GLY  36           HN       GLY  36  -2.465   9.628   3.860
  245    HA2  GLY  36           HA2      GLY  36  -3.528   7.585   3.866
  246    HA3  GLY  36           HA1      GLY  36  -5.034   8.462   4.079
  247    H    ALA  37           HN       ALA  37  -3.038   9.156   1.333
  248    HA   ALA  37           HA       ALA  37  -5.058   8.718  -0.532
  249    HB1  ALA  37           HB1      ALA  37  -3.277  10.105  -1.178
  250    HB2  ALA  37           HB2      ALA  37  -3.145   8.672  -2.200
  251    HB3  ALA  37           HB3      ALA  37  -2.074   8.868  -0.811
  252    H    ASP  38           HN       ASP  38  -2.580   6.555   0.713
  253    HA   ASP  38           HA       ASP  38  -2.847   4.483  -1.152
  254    HB2  ASP  38           HB2      ASP  38  -1.658   3.122   0.374
  255    HB3  ASP  38           HB1      ASP  38  -1.069   4.751   0.663
  256    H    GLU  39           HN       GLU  39  -4.635   5.224   1.795
  257    HA   GLU  39           HA       GLU  39  -6.266   2.860   1.623
  258    HB2  GLU  39           HB2      GLU  39  -6.665   5.346   3.286
  259    HB3  GLU  39           HB1      GLU  39  -7.520   3.826   3.485
  260    HG2  GLU  39           HG2      GLU  39  -4.556   4.187   3.829
  261    HG3  GLU  39           HG1      GLU  39  -5.735   4.157   5.138
  262    H    SER  40           HN       SER  40  -6.276   5.969   0.226
  263    HA   SER  40           HA       SER  40  -9.072   6.258  -0.174
  264    HB2  SER  40           HB2      SER  40  -6.623   7.644  -1.032
  265    HB3  SER  40           HB1      SER  40  -7.970   7.758  -2.159
  266    HG   SER  40           HG       SER  40  -7.992   8.459   0.591
  267    H    ILE  41           HN       ILE  41 -10.022   6.370  -2.401
  268    HA   ILE  41           HA       ILE  41  -9.668   3.847  -3.695
  269    HB   ILE  41           HB       ILE  41 -11.872   4.974  -3.441
  270   HG12  ILE  41          HG12      ILE  41 -12.270   4.738  -6.136
  271   HG13  ILE  41          HG11      ILE  41 -10.781   3.830  -5.915
  272   HG21  ILE  41          HG21      ILE  41 -10.954   6.765  -5.674
  273   HG22  ILE  41          HG22      ILE  41 -11.016   7.254  -3.980
  274   HG23  ILE  41          HG23      ILE  41 -12.500   6.808  -4.824
  275   HD11  ILE  41          HD11      ILE  41 -13.462   3.336  -4.667
  276   HD12  ILE  41          HD12      ILE  41 -11.983   2.579  -4.079
  277   HD13  ILE  41          HD13      ILE  41 -12.531   2.277  -5.727
  278    H    ALA  42           HN       ALA  42  -8.462   7.047  -4.133
  279    HA   ALA  42           HA       ALA  42  -7.896   7.209  -6.822
  280    HB1  ALA  42           HB1      ALA  42  -6.136   8.077  -4.527
  281    HB2  ALA  42           HB2      ALA  42  -7.446   9.016  -5.247
  282    HB3  ALA  42           HB3      ALA  42  -6.007   8.641  -6.194
  283    H    ALA  43           HN       ALA  43  -6.434   5.238  -4.366
  284    HA   ALA  43           HA       ALA  43  -4.279   4.353  -6.118
  285    HB1  ALA  43           HB1      ALA  43  -3.310   3.375  -4.231
  286    HB2  ALA  43           HB2      ALA  43  -4.852   3.286  -3.377
  287    HB3  ALA  43           HB3      ALA  43  -4.060   4.843  -3.603
  288    H    GLY  44           HN       GLY  44  -7.367   3.342  -4.904
  289    HA2  GLY  44           HA2      GLY  44  -8.600   1.717  -6.223
  290    HA3  GLY  44           HA1      GLY  44  -7.096   0.832  -6.427
  291    H    CYS  45           HN       CYS  45  -8.330   2.232  -3.421
  292    HA   CYS  45           HA       CYS  45  -8.012  -0.307  -2.103
  293    HB2  CYS  45           HB2      CYS  45  -8.102   2.414  -1.291
  294    HB3  CYS  45           HB1      CYS  45  -9.397   1.576  -0.444
  295    H    LEU  46           HN       LEU  46 -10.528   1.318  -3.711
  296    HA   LEU  46           HA       LEU  46 -12.617   0.631  -4.270
  297    HB2  LEU  46           HB2      LEU  46 -12.284  -1.677  -2.371
  298    HB3  LEU  46           HB1      LEU  46 -13.455  -1.525  -3.662
  299    HG   LEU  46           HG       LEU  46 -12.024  -2.836  -4.789
  300   HD11  LEU  46          HD11      LEU  46 -11.802  -0.455  -5.745
  301   HD12  LEU  46          HD12      LEU  46 -10.657  -1.691  -6.266
  302   HD13  LEU  46          HD13      LEU  46 -10.179  -0.499  -5.057
  303   HD21  LEU  46          HD21      LEU  46 -10.030  -3.556  -4.007
  304   HD22  LEU  46          HD22      LEU  46 -10.605  -2.787  -2.529
  305   HD23  LEU  46          HD23      LEU  46  -9.482  -1.934  -3.587
  306    H    TYR  47           HN       TYR  47 -12.202   2.524  -2.161
  307    HA   TYR  47           HA       TYR  47 -14.806   2.713  -1.202
  308    HB2  TYR  47           HB2      TYR  47 -14.438   2.321   1.239
  309    HB3  TYR  47           HB1      TYR  47 -14.385   0.866   0.252
  310    HD1  TYR  47           HD2      TYR  47 -12.221  -0.244  -0.195
  311    HD2  TYR  47           HD1      TYR  47 -12.527   3.063   2.463
  312    HE1  TYR  47           HE2      TYR  47 -10.025  -0.813   0.752
  313    HE2  TYR  47           HE1      TYR  47 -10.332   2.506   3.420
  314    HH   TYR  47           HH       TYR  47  -8.862  -0.364   3.100
  315    H    ASN  48           HN       ASN  48 -11.521   3.433   0.032
  316    HA   ASN  48           HA       ASN  48 -10.504   5.441   0.427
  317    HB2  ASN  48           HB2      ASN  48 -11.822   6.079  -1.721
  318    HB3  ASN  48           HB1      ASN  48 -12.900   6.911  -0.614
  319   HD21  ASN  48          HD21      ASN  48 -11.568   8.261   1.081
  320   HD22  ASN  48          HD22      ASN  48 -10.375   9.289   0.375
  321    H    SER  49           HN       SER  49 -13.997   5.958   0.920
  322    HA   SER  49           HA       SER  49 -14.161   7.712   2.889
  323    HB2  SER  49           HB2      SER  49 -15.702   5.284   2.276
  324    HB3  SER  49           HB1      SER  49 -15.908   5.886   3.920
  325    HG   SER  49           HG       SER  49 -16.251   8.001   2.829
  326    H    THR  50           HN       THR  50 -14.506   4.474   4.246
  327    HA   THR  50           HA       THR  50 -12.188   4.778   5.936
  328    HB   THR  50           HB       THR  50 -13.425   4.759   8.048
  329    HG1  THR  50           HG1      THR  50 -15.752   5.136   6.476
  330   HG21  THR  50          HG21      THR  50 -14.265   6.995   8.093
  331   HG22  THR  50          HG22      THR  50 -14.435   7.015   6.338
  332   HG23  THR  50          HG23      THR  50 -12.831   6.949   7.068
  333    H    GLY  51           HN       GLY  51 -15.242   3.079   6.557
  334    HA2  GLY  51           HA2      GLY  51 -15.711   0.843   6.762
  335    HA3  GLY  51           HA1      GLY  51 -14.528   0.593   5.487
  336    H    SER  52           HN       SER  52 -13.538   2.137   8.423
  337    HA   SER  52           HA       SER  52 -12.057   1.542  10.042
  338    HB2  SER  52           HB2      SER  52 -13.488  -1.096   9.686
  339    HB3  SER  52           HB1      SER  52 -12.308  -0.794  10.962
  340    HG   SER  52           HG       SER  52 -14.845  -0.284  11.069
  341    H    GLY  53           HN       GLY  53 -11.155   1.466   7.329
  342    HA2  GLY  53           HA2      GLY  53  -8.945   1.040   6.595
  343    HA3  GLY  53           HA1      GLY  53  -8.868  -0.327   7.697
  344    H    SER  54           HN       SER  54 -11.542  -1.269   6.761
  345    HA   SER  54           HA       SER  54 -10.980  -2.049   4.006
  346    HB2  SER  54           HB2      SER  54 -10.937  -4.347   4.380
  347    HB3  SER  54           HB1      SER  54 -10.014  -3.728   5.749
  348    HG   SER  54           HG       SER  54 -11.900  -3.909   7.013
  349    H    GLY  55           HN       GLY  55 -12.777  -1.398   3.004
  350    HA2  GLY  55           HA2      GLY  55 -15.368  -1.935   4.316
  351    HA3  GLY  55           HA1      GLY  55 -15.082  -0.615   3.191
  352    H    SER  56           HN       SER  56 -13.585  -2.183   1.289
  353    HA   SER  56           HA       SER  56 -15.659  -3.057  -0.363
  354    HB2  SER  56           HB2      SER  56 -14.034  -3.389  -1.925
  355    HB3  SER  56           HB1      SER  56 -13.040  -2.518  -0.758
  356    HG   SER  56           HG       SER  56 -12.337  -4.700  -1.652
  357    H    GLY  57           HN       GLY  57 -13.391  -4.945   1.623
  358    HA2  GLY  57           HA2      GLY  57 -14.339  -6.850   2.850
  359    HA3  GLY  57           HA1      GLY  57 -15.272  -7.213   1.406
  360    H    SER 129           HN       SER 129 -14.552  -9.113   0.687
  361    HA   SER 129           HA       SER 129 -11.994 -10.164   1.062
  362    HB2  SER 129           HB2      SER 129 -14.025 -10.797  -1.092
  363    HB3  SER 129           HB1      SER 129 -12.609 -11.781  -0.726
  364    HG   SER 129           HG       SER 129 -14.816 -11.227   0.965
  365    H    THR 130           HN       THR 130 -13.343  -8.341  -1.657
  366    HA   THR 130           HA       THR 130 -11.243  -8.588  -3.455
  367    HB   THR 130           HB       THR 130 -12.695  -5.982  -3.157
  368    HG1  THR 130           HG1      THR 130 -14.419  -7.237  -2.984
  369   HG21  THR 130          HG21      THR 130 -12.920  -6.871  -5.746
  370   HG22  THR 130          HG22      THR 130 -11.300  -7.384  -5.273
  371   HG23  THR 130          HG23      THR 130 -11.760  -5.686  -5.145
  372    H    GLU 131           HN       GLU 131 -11.547  -6.558  -0.621
  373    HA   GLU 131           HA       GLU 131  -9.428  -4.784  -1.141
  374    HB2  GLU 131           HB2      GLU 131 -11.083  -4.391   0.624
  375    HB3  GLU 131           HB1      GLU 131 -10.478  -5.782   1.514
  376    HG2  GLU 131           HG2      GLU 131  -8.397  -3.856   0.871
  377    HG3  GLU 131           HG1      GLU 131  -9.696  -3.172   1.847
  378    H    GLU 132           HN       GLU 132  -9.432  -7.580   1.075
  379    HA   GLU 132           HA       GLU 132  -6.653  -7.648   1.440
  380    HB2  GLU 132           HB2      GLU 132  -8.359 -10.119   1.570
  381    HB3  GLU 132           HB1      GLU 132  -6.965  -9.694   2.552
  382    HG2  GLU 132           HG2      GLU 132  -8.916  -7.701   2.976
  383    HG3  GLU 132           HG1      GLU 132  -9.730  -9.261   3.073
  384    H    LEU 133           HN       LEU 133  -8.668  -8.855  -1.106
  385    HA   LEU 133           HA       LEU 133  -7.078 -10.851  -2.194
  386    HB2  LEU 133           HB2      LEU 133  -9.242  -9.117  -3.111
  387    HB3  LEU 133           HB1      LEU 133  -8.168  -9.619  -4.401
  388    HG   LEU 133           HG       LEU 133  -8.607 -11.943  -3.955
  389   HD11  LEU 133          HD11      LEU 133  -9.364 -12.752  -2.023
  390   HD12  LEU 133          HD12      LEU 133 -10.716 -11.621  -1.985
  391   HD13  LEU 133          HD13      LEU 133  -9.139 -11.130  -1.369
  392   HD21  LEU 133          HD21      LEU 133 -10.600 -10.061  -4.723
  393   HD22  LEU 133          HD22      LEU 133 -11.376 -11.369  -3.830
  394   HD23  LEU 133          HD23      LEU 133 -10.395 -11.732  -5.249
  395    H    ARG 134           HN       ARG 134  -7.267  -7.545  -3.522
  396    HA   ARG 134           HA       ARG 134  -4.928  -7.766  -5.054
  397    HB2  ARG 134           HB2      ARG 134  -5.061  -5.324  -5.281
  398    HB3  ARG 134           HB1      ARG 134  -6.630  -6.082  -5.514
  399    HG2  ARG 134           HG2      ARG 134  -7.033  -5.548  -3.037
  400    HG3  ARG 134           HG1      ARG 134  -5.654  -4.459  -3.196
  401    HD2  ARG 134           HD2      ARG 134  -8.318  -4.340  -4.565
  402    HD3  ARG 134           HD1      ARG 134  -7.506  -3.099  -3.616
  403    HE   ARG 134           HE       ARG 134  -6.184  -2.566  -5.464
  404   HH11  ARG 134          HH11      ARG 134  -8.327  -5.234  -6.181
  405   HH12  ARG 134          HH12      ARG 134  -8.114  -5.102  -7.893
  406   HH21  ARG 134          HH21      ARG 134  -5.906  -2.402  -7.714
  407   HH22  ARG 134          HH22      ARG 134  -6.741  -3.499  -8.763
  408    H    VAL 135           HN       VAL 135  -5.468  -6.499  -1.803
  409    HA   VAL 135           HA       VAL 135  -2.859  -5.489  -1.410
  410    HB   VAL 135           HB       VAL 135  -4.935  -6.375   0.596
  411   HG11  VAL 135          HG11      VAL 135  -3.313  -4.500   1.823
  412   HG12  VAL 135          HG12      VAL 135  -2.180  -5.554   0.976
  413   HG13  VAL 135          HG13      VAL 135  -3.327  -6.237   2.128
  414   HG21  VAL 135          HG21      VAL 135  -4.657  -3.622   0.691
  415   HG22  VAL 135          HG22      VAL 135  -5.967  -4.517  -0.080
  416   HG23  VAL 135          HG23      VAL 135  -4.574  -4.000  -1.030
  417    H    ARG 136           HN       ARG 136  -4.225  -8.683  -1.121
  418    HA   ARG 136           HA       ARG 136  -2.248  -9.829   0.543
  419    HB2  ARG 136           HB2      ARG 136  -4.379 -10.842  -1.255
  420    HB3  ARG 136           HB1      ARG 136  -3.076 -11.958  -0.872
  421    HG2  ARG 136           HG2      ARG 136  -3.605 -12.016   1.375
  422    HG3  ARG 136           HG1      ARG 136  -4.468 -10.477   1.315
  423    HD2  ARG 136           HD2      ARG 136  -6.181 -12.040   1.484
  424    HD3  ARG 136           HD1      ARG 136  -6.107 -11.707  -0.246
  425    HE   ARG 136           HE       ARG 136  -4.475 -13.845   0.041
  426   HH11  ARG 136          HH11      ARG 136  -7.757 -13.198   1.035
  427   HH12  ARG 136          HH12      ARG 136  -8.248 -14.855   0.928
  428   HH21  ARG 136          HH21      ARG 136  -5.120 -16.025  -0.100
  429   HH22  ARG 136          HH22      ARG 136  -6.751 -16.460   0.285
  430    H    LEU 137           HN       LEU 137  -2.497  -9.438  -2.950
  431    HA   LEU 137           HA       LEU 137  -0.342 -11.070  -3.687
  432    HB2  LEU 137           HB2      LEU 137  -2.019 -10.199  -5.260
  433    HB3  LEU 137           HB1      LEU 137  -1.377  -8.583  -5.047
  434    HG   LEU 137           HG       LEU 137  -0.698  -9.848  -7.154
  435   HD11  LEU 137          HD11      LEU 137   0.499  -7.869  -5.805
  436   HD12  LEU 137          HD12      LEU 137   1.129  -8.534  -7.311
  437   HD13  LEU 137          HD13      LEU 137   1.787  -9.073  -5.766
  438   HD21  LEU 137          HD21      LEU 137   0.648 -11.656  -7.083
  439   HD22  LEU 137          HD22      LEU 137  -0.082 -11.873  -5.492
  440   HD23  LEU 137          HD23      LEU 137   1.497 -11.103  -5.640
  441    H    ALA 138           HN       ALA 138  -0.407  -7.518  -3.341
  442    HA   ALA 138           HA       ALA 138   2.319  -7.094  -3.714
  443    HB1  ALA 138           HB1      ALA 138   0.173  -5.531  -2.346
  444    HB2  ALA 138           HB2      ALA 138   1.027  -5.187  -3.850
  445    HB3  ALA 138           HB3      ALA 138   1.848  -4.982  -2.303
  446    H    SER 139           HN       SER 139   0.641  -8.346  -0.967
  447    HA   SER 139           HA       SER 139   2.546  -7.676   1.024
  448    HB2  SER 139           HB2      SER 139   0.380  -8.283   1.774
  449    HB3  SER 139           HB1      SER 139   0.404  -9.794   0.868
  450    HG   SER 139           HG       SER 139   1.381 -10.706   2.483
  451    H    HIS 140           HN       HIS 140   2.695  -9.851  -1.559
  452    HA   HIS 140           HA       HIS 140   4.118 -11.997  -0.486
  453    HB2  HIS 140           HB2      HIS 140   4.789 -12.501  -2.752
  454    HB3  HIS 140           HB1      HIS 140   3.117 -11.954  -2.753
  455    HD1  HIS 140           HD1      HIS 140   3.897  -8.832  -2.686
  456    HD2  HIS 140           HD2      HIS 140   5.304 -11.708  -5.323
  457    HE1  HIS 140           HE1      HIS 140   4.660  -7.587  -4.748
  458    H    LEU 141           HN       LEU 141   5.201  -8.789  -1.373
  459    HA   LEU 141           HA       LEU 141   7.848  -9.470  -0.313
  460    HB2  LEU 141           HB2      LEU 141   8.157  -9.594  -2.677
  461    HB3  LEU 141           HB1      LEU 141   7.291  -8.091  -2.930
  462    HG   LEU 141           HG       LEU 141   9.408  -7.412  -1.234
  463   HD11  LEU 141          HD11      LEU 141  10.593  -8.914  -3.527
  464   HD12  LEU 141          HD12      LEU 141  10.266  -9.726  -1.996
  465   HD13  LEU 141          HD13      LEU 141  11.358  -8.341  -2.044
  466   HD21  LEU 141          HD21      LEU 141  10.290  -6.354  -3.384
  467   HD22  LEU 141          HD22      LEU 141   8.675  -5.890  -2.847
  468   HD23  LEU 141          HD23      LEU 141   8.869  -7.051  -4.162
  469    H    ARG 142           HN       ARG 142   5.681  -6.865  -1.364
  470    HA   ARG 142           HA       ARG 142   6.938  -4.664  -0.376
  471    HB2  ARG 142           HB2      ARG 142   3.978  -5.249  -0.231
  472    HB3  ARG 142           HB1      ARG 142   4.706  -3.655  -0.083
  473    HG2  ARG 142           HG2      ARG 142   4.782  -5.443  -2.503
  474    HG3  ARG 142           HG1      ARG 142   3.846  -3.960  -2.312
  475    HD2  ARG 142           HD2      ARG 142   6.162  -2.879  -1.833
  476    HD3  ARG 142           HD1      ARG 142   6.799  -4.313  -2.636
  477    HE   ARG 142           HE       ARG 142   5.436  -2.099  -3.860
  478   HH11  ARG 142          HH11      ARG 142   6.276  -5.472  -4.175
  479   HH12  ARG 142          HH12      ARG 142   6.140  -5.471  -5.901
  480   HH21  ARG 142          HH21      ARG 142   5.261  -2.098  -6.125
  481   HH22  ARG 142          HH22      ARG 142   5.565  -3.556  -7.006
  482    H    LYS 143           HN       LYS 143   4.809  -6.817   1.505
  483    HA   LYS 143           HA       LYS 143   5.611  -5.410   3.942
  484    HB2  LYS 143           HB2      LYS 143   3.210  -6.656   3.070
  485    HB3  LYS 143           HB1      LYS 143   3.775  -7.516   4.496
  486    HG2  LYS 143           HG2      LYS 143   2.322  -5.796   5.233
  487    HG3  LYS 143           HG1      LYS 143   3.964  -5.305   5.650
  488    HD2  LYS 143           HD2      LYS 143   3.931  -3.542   4.244
  489    HD3  LYS 143           HD1      LYS 143   3.019  -4.414   3.010
  490    HE2  LYS 143           HE2      LYS 143   1.421  -2.922   3.646
  491    HE3  LYS 143           HE1      LYS 143   1.093  -4.197   4.820
  492    HZ1  LYS 143           HZ1      LYS 143   2.099  -3.011   6.512
  493    HZ2  LYS 143           HZ2      LYS 143   1.321  -1.790   5.639
  494    HZ3  LYS 143           HZ3      LYS 143   2.985  -2.028   5.458
  495    H    LEU 144           HN       LEU 144   6.521  -8.134   2.184
  496    HA   LEU 144           HA       LEU 144   7.400  -9.591   4.568
  497    HB2  LEU 144           HB2      LEU 144   6.970 -10.324   1.711
  498    HB3  LEU 144           HB1      LEU 144   8.139 -11.243   2.641
  499    HG   LEU 144           HG       LEU 144   5.349 -10.851   3.672
  500   HD11  LEU 144          HD11      LEU 144   4.540 -12.719   2.519
  501   HD12  LEU 144          HD12      LEU 144   6.150 -13.196   1.982
  502   HD13  LEU 144          HD13      LEU 144   5.378 -11.769   1.292
  503   HD21  LEU 144          HD21      LEU 144   7.313 -11.786   5.031
  504   HD22  LEU 144          HD22      LEU 144   7.161 -13.216   4.010
  505   HD23  LEU 144          HD23      LEU 144   5.806 -12.703   5.016
  506    H    ARG 145           HN       ARG 145   8.583  -7.415   2.263
  507    HA   ARG 145           HA       ARG 145  11.306  -7.843   3.210
  508    HB2  ARG 145           HB2      ARG 145  11.201  -9.150   1.152
  509    HB3  ARG 145           HB1      ARG 145  10.557  -7.765   0.281
  510    HG2  ARG 145           HG2      ARG 145  12.674  -7.416  -0.325
  511    HG3  ARG 145           HG1      ARG 145  12.869  -6.746   1.294
  512    HD2  ARG 145           HD2      ARG 145  13.796  -8.743   2.124
  513    HD3  ARG 145           HD1      ARG 145  13.255  -9.669   0.725
  514    HE   ARG 145           HE       ARG 145  15.691  -8.247   0.971
  515   HH11  ARG 145          HH11      ARG 145  13.199  -9.042  -1.340
  516   HH12  ARG 145          HH12      ARG 145  14.253  -8.912  -2.708
  517   HH21  ARG 145          HH21      ARG 145  17.078  -8.077  -0.827
  518   HH22  ARG 145          HH22      ARG 145  16.455  -8.366  -2.417
  519    H    LYS 146           HN       LYS 146  12.522  -5.982   3.306
  520    HA   LYS 146           HA       LYS 146  11.305  -3.526   2.249
  521    HB2  LYS 146           HB2      LYS 146  10.759  -3.724   4.643
  522    HB3  LYS 146           HB1      LYS 146  12.472  -3.839   5.017
  523    HG2  LYS 146           HG2      LYS 146  11.702  -1.609   5.460
  524    HG3  LYS 146           HG1      LYS 146  12.798  -1.584   4.077
  525    HD2  LYS 146           HD2      LYS 146  10.776  -1.656   2.594
  526    HD3  LYS 146           HD1      LYS 146   9.789  -1.428   4.039
  527    HE2  LYS 146           HE2      LYS 146  11.527   0.588   4.361
  528    HE3  LYS 146           HE1      LYS 146  11.533   0.477   2.602
  529    HZ1  LYS 146           HZ1      LYS 146   8.943   0.418   3.006
  530    HZ2  LYS 146           HZ2      LYS 146   9.790   1.878   2.889
  531    HZ3  LYS 146           HZ3      LYS 146   9.375   1.261   4.408
  532    H    ARG 147           HN       ARG 147  12.997  -4.088   0.602
  533    HA   ARG 147           HA       ARG 147  14.935  -3.519  -0.441
  534    HB2  ARG 147           HB2      ARG 147  15.728  -1.890   1.962
  535    HB3  ARG 147           HB1      ARG 147  16.149  -1.630   0.275
  536    HG2  ARG 147           HG2      ARG 147  13.308  -1.441   1.201
  537    HG3  ARG 147           HG1      ARG 147  14.420  -0.081   1.367
  538    HD2  ARG 147           HD2      ARG 147  13.067   0.005  -0.704
  539    HD3  ARG 147           HD1      ARG 147  14.804  -0.033  -1.004
  540    HE   ARG 147           HE       ARG 147  14.507  -1.996  -2.122
  541   HH11  ARG 147          HH11      ARG 147  11.760  -1.513  -0.023
  542   HH12  ARG 147          HH12      ARG 147  10.905  -2.895  -0.619
  543   HH21  ARG 147          HH21      ARG 147  13.383  -3.817  -2.903
  544   HH22  ARG 147          HH22      ARG 147  11.826  -4.203  -2.251
  545    H    LEU 148           HN       LEU 148  15.945  -3.526   2.981
  546    HA   LEU 148           HA       LEU 148  18.086  -5.388   2.288
  547    HB2  LEU 148           HB2      LEU 148  17.562  -3.872   4.846
  548    HB3  LEU 148           HB1      LEU 148  18.969  -4.867   4.525
  549    HG   LEU 148           HG       LEU 148  19.623  -2.595   4.244
  550   HD11  LEU 148          HD11      LEU 148  20.061  -4.457   2.372
  551   HD12  LEU 148          HD12      LEU 148  20.714  -2.822   2.278
  552   HD13  LEU 148          HD13      LEU 148  19.252  -3.240   1.386
  553   HD21  LEU 148          HD21      LEU 148  17.715  -2.026   2.056
  554   HD22  LEU 148          HD22      LEU 148  18.405  -0.950   3.271
  555   HD23  LEU 148          HD23      LEU 148  17.072  -2.023   3.698
  556    H    LEU 149           HN       LEU 149  15.738  -5.035   4.954
  557    HA   LEU 149           HA       LEU 149  16.012  -7.729   5.805
  558    HB2  LEU 149           HB2      LEU 149  13.650  -5.952   6.358
  559    HB3  LEU 149           HB1      LEU 149  14.269  -7.262   7.345
  560    HG   LEU 149           HG       LEU 149  16.418  -5.553   7.243
  561   HD11  LEU 149          HD11      LEU 149  15.829  -3.387   7.147
  562   HD12  LEU 149          HD12      LEU 149  14.283  -3.661   7.949
  563   HD13  LEU 149          HD13      LEU 149  14.455  -3.999   6.227
  564   HD21  LEU 149          HD21      LEU 149  15.521  -6.742   9.204
  565   HD22  LEU 149          HD22      LEU 149  14.209  -5.567   9.296
  566   HD23  LEU 149          HD23      LEU 149  15.875  -5.049   9.549
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   4.305  10.455   9.276
    2    H2   GLY   1           HT2      GLY   1   3.819  12.027   9.666
    3    H3   GLY   1           HT3      GLY   1   4.417  11.686   8.121
    4    HA2  GLY   1           HA1      GLY   1   1.955  10.452   9.216
    5    HA3  GLY   1           HA2      GLY   1   1.943  11.930   8.266
    6    H    SER   2           HN       SER   2   3.674   8.821   7.983
    7    HA   SER   2           HA       SER   2   2.228   7.964   5.716
    8    HB2  SER   2           HB2      SER   2   4.787   8.350   4.520
    9    HB3  SER   2           HB1      SER   2   3.231   9.014   4.021
   10    HG   SER   2           HG       SER   2   5.320  10.233   5.268
   11    H    LYS   2           HN       LYS   2   5.301   7.868   7.455
   12    HA   LYS   2           HA       LYS   2   6.610   6.132   8.131
   13    HB2  LYS   2           HB2      LYS   2   4.133   4.503   7.541
   14    HB3  LYS   2           HB1      LYS   2   5.540   3.917   8.414
   15    HG2  LYS   2           HG2      LYS   2   4.122   4.460  10.132
   16    HG3  LYS   2           HG1      LYS   2   5.077   5.936   9.986
   17    HD2  LYS   2           HD2      LYS   2   2.672   6.402  10.219
   18    HD3  LYS   2           HD1      LYS   2   3.314   6.980   8.683
   19    HE2  LYS   2           HE2      LYS   2   1.058   5.743   8.684
   20    HE3  LYS   2           HE1      LYS   2   2.256   5.306   7.468
   21    HZ1  LYS   2           HZ1      LYS   2   2.867   3.392   8.749
   22    HZ2  LYS   2           HZ2      LYS   2   1.189   3.375   8.533
   23    HZ3  LYS   2           HZ3      LYS   2   1.845   3.844  10.020
   24    H    LEU   2           HN       LEU   2   6.341   6.913   5.240
   25    HA   LEU   2           HA       LEU   2   7.004   4.427   3.872
   26    HB2  LEU   2           HB2      LEU   2   6.128   7.116   3.079
   27    HB3  LEU   2           HB1      LEU   2   7.343   6.420   2.025
   28    HG   LEU   2           HG       LEU   2   5.935   4.525   1.542
   29   HD11  LEU   2          HD11      LEU   2   4.627   5.311   3.975
   30   HD12  LEU   2          HD12      LEU   2   4.498   3.804   3.069
   31   HD13  LEU   2          HD13      LEU   2   3.455   5.166   2.666
   32   HD21  LEU   2          HD21      LEU   2   5.308   7.192   0.875
   33   HD22  LEU   2          HD22      LEU   2   3.777   6.364   1.159
   34   HD23  LEU   2          HD23      LEU   2   4.919   5.725  -0.024
   35    H    GLU   3           HN       GLU   3   9.037   3.736   4.007
   36    HA   GLU   3           HA       GLU   3  11.202   5.732   3.891
   37    HB2  GLU   3           HB2      GLU   3  12.547   3.950   5.152
   38    HB3  GLU   3           HB1      GLU   3  11.347   4.858   6.062
   39    HG2  GLU   3           HG2      GLU   3   9.818   3.037   6.011
   40    HG3  GLU   3           HG1      GLU   3  10.828   2.148   4.873
   41    H    GLY   4           HN       GLY   4  11.156   5.490   1.575
   42    HA2  GLY   4           HA2      GLY   4  12.030   4.668  -0.382
   43    HA3  GLY   4           HA1      GLY   4  13.080   3.671   0.613
   44    H    LYS   5           HN       LYS   5  11.389   3.244  -1.909
   45    HA   LYS   5           HA       LYS   5  10.462   0.601  -1.126
   46    HB2  LYS   5           HB2      LYS   5   8.693   2.794  -2.105
   47    HB3  LYS   5           HB1      LYS   5   8.355   1.152  -2.632
   48    HG2  LYS   5           HG2      LYS   5   8.734   1.739   0.269
   49    HG3  LYS   5           HG1      LYS   5   7.194   2.091  -0.518
   50    HD2  LYS   5           HD2      LYS   5   6.795  -0.051   0.173
   51    HD3  LYS   5           HD1      LYS   5   7.491  -0.375  -1.415
   52    HE2  LYS   5           HE2      LYS   5   9.600  -0.152   0.497
   53    HE3  LYS   5           HE1      LYS   5   8.388  -1.276   1.110
   54    HZ1  LYS   5           HZ1      LYS   5   8.599  -2.078  -1.426
   55    HZ2  LYS   5           HZ2      LYS   5   9.507  -2.731  -0.158
   56    HZ3  LYS   5           HZ3      LYS   5  10.180  -1.539  -1.152
   57    H    THR   6           HN       THR   6   9.333  -0.287  -3.408
   58    HA   THR   6           HA       THR   6  11.576  -0.149  -5.282
   59    HB   THR   6           HB       THR   6  11.140  -2.375  -4.699
   60    HG1  THR   6           HG1      THR   6  11.158  -1.906  -7.030
   61   HG21  THR   6          HG21      THR   6   9.032  -2.242  -3.604
   62   HG22  THR   6          HG22      THR   6   8.902  -3.426  -4.904
   63   HG23  THR   6          HG23      THR   6   8.220  -1.814  -5.110
   64    H    CYS   7           HN       CYS   7   8.044   0.147  -5.222
   65    HA   CYS   7           HA       CYS   7   6.568   1.091  -6.675
   66    HB2  CYS   7           HB2      CYS   7   8.617   2.556  -8.229
   67    HB3  CYS   7           HB1      CYS   7   7.122   3.140  -7.509
   68    H    GLY   8           HN       GLY   8   6.006   1.281  -9.052
   69    HA2  GLY   8           HA2      GLY   8   6.403   0.601 -11.310
   70    HA3  GLY   8           HA1      GLY   8   7.569  -0.572 -10.717
   71    HA   PRO   9           HA       PRO   9   4.610  -3.818 -11.020
   72    HB2  PRO   9           HB2      PRO   9   5.391  -4.701  -8.296
   73    HB3  PRO   9           HB1      PRO   9   5.454  -5.582  -9.824
   74    HG2  PRO   9           HG2      PRO   9   7.683  -4.683  -8.682
   75    HG3  PRO   9           HG1      PRO   9   7.475  -4.628 -10.443
   76    HD2  PRO   9           HD2      PRO   9   7.209  -2.426  -8.432
   77    HD3  PRO   9           HD1      PRO   9   7.956  -2.395 -10.043
   78    H    SER  10           HN       SER  10   3.516  -5.013  -8.457
   79    HA   SER  10           HA       SER  10   1.111  -3.571  -8.353
   80    HB2  SER  10           HB2      SER  10   0.933  -4.970  -6.090
   81    HB3  SER  10           HB1      SER  10   0.780  -5.739  -7.669
   82    HG   SER  10           HG       SER  10   2.648  -6.702  -7.393
   83    H    SER  11           HN       SER  11   2.108  -1.413  -8.042
   84    HA   SER  11           HA       SER  11   2.142  -0.745  -5.196
   85    HB2  SER  11           HB2      SER  11   4.147   0.468  -5.277
   86    HB3  SER  11           HB1      SER  11   4.514  -0.965  -6.239
   87    HG   SER  11           HG       SER  11   3.927   0.343  -8.103
   88    H    PHE  12           HN       PHE  12   2.202   1.779  -5.017
   89    HA   PHE  12           HA       PHE  12   0.690   3.045  -7.172
   90    HB2  PHE  12           HB2      PHE  12  -1.095   2.267  -5.798
   91    HB3  PHE  12           HB1      PHE  12  -0.265   2.751  -4.324
   92    HD1  PHE  12           HD1      PHE  12  -1.531   4.280  -7.486
   93    HD2  PHE  12           HD2      PHE  12  -0.977   4.663  -3.284
   94    HE1  PHE  12           HE1      PHE  12  -2.711   6.438  -7.531
   95    HE2  PHE  12           HE2      PHE  12  -2.157   6.822  -3.321
   96    HZ   PHE  12           HZ       PHE  12  -3.026   7.711  -5.446
   97    H    SER  13           HN       SER  13   1.821   4.812  -7.652
   98    HA   SER  13           HA       SER  13   3.724   5.992  -5.948
   99    HB2  SER  13           HB2      SER  13   3.960   6.283  -8.317
  100    HB3  SER  13           HB1      SER  13   2.368   7.027  -8.439
  101    HG   SER  13           HG       SER  13   4.745   8.084  -7.363
  102    H    CYS  14           HN       CYS  14   3.393   7.178  -4.201
  103    HA   CYS  14           HA       CYS  14   0.947   8.024  -3.249
  104    HB2  CYS  14           HB2      CYS  14   3.252   7.871  -2.075
  105    HB3  CYS  14           HB1      CYS  14   3.448   9.537  -2.591
  106    HA   PRO  15           HA       PRO  15  -0.005  11.459  -5.922
  107    HB2  PRO  15           HB2      PRO  15  -1.940  12.202  -3.828
  108    HB3  PRO  15           HB1      PRO  15  -2.220  11.793  -5.521
  109    HG2  PRO  15           HG2      PRO  15  -2.911  10.122  -3.543
  110    HG3  PRO  15           HG1      PRO  15  -2.306   9.526  -5.099
  111    HD2  PRO  15           HD2      PRO  15  -0.870   9.794  -2.485
  112    HD3  PRO  15           HD1      PRO  15  -0.801   8.482  -3.681
  113    H    GLY  16           HN       GLY  16   1.096  13.297  -6.050
  114    HA2  GLY  16           HA2      GLY  16   1.706  15.462  -5.409
  115    HA3  GLY  16           HA1      GLY  16   1.177  15.106  -3.773
  116    H    THR  17           HN       THR  17   2.683  12.707  -3.426
  117    HA   THR  17           HA       THR  17   5.347  13.890  -3.127
  118    HB   THR  17           HB       THR  17   5.662  11.947  -1.501
  119    HG1  THR  17           HG1      THR  17   2.838  11.844  -1.656
  120   HG21  THR  17          HG21      THR  17   5.331  13.575  -0.048
  121   HG22  THR  17          HG22      THR  17   3.622  13.136  -0.040
  122   HG23  THR  17          HG23      THR  17   4.204  14.394  -1.131
  123    H    HIS  18           HN       HIS  18   7.063  13.103  -4.157
  124    HA   HIS  18           HA       HIS  18   6.875  11.410  -6.341
  125    HB2  HIS  18           HB2      HIS  18   9.385  11.231  -6.137
  126    HB3  HIS  18           HB1      HIS  18   8.752  12.874  -6.156
  127    HD1  HIS  18           HD1      HIS  18  10.724  10.532  -4.086
  128    HD2  HIS  18           HD2      HIS  18   8.784  14.175  -3.618
  129    HE1  HIS  18           HE1      HIS  18  11.584  11.524  -1.924
  130    H    VAL  19           HN       VAL  19   7.105  10.618  -2.996
  131    HA   VAL  19           HA       VAL  19   8.296   8.105  -3.077
  132    HB   VAL  19           HB       VAL  19   7.804   9.284  -0.988
  133   HG11  VAL  19          HG11      VAL  19   4.940   8.438  -1.191
  134   HG12  VAL  19          HG12      VAL  19   5.473   9.982  -1.856
  135   HG13  VAL  19          HG13      VAL  19   5.677   9.646  -0.137
  136   HG21  VAL  19          HG21      VAL  19   6.377   6.631  -1.027
  137   HG22  VAL  19          HG22      VAL  19   7.219   7.381   0.328
  138   HG23  VAL  19          HG23      VAL  19   8.132   6.801  -1.065
  139    H    CYS  20           HN       CYS  20   7.347   5.990  -2.952
  140    HA   CYS  20           HA       CYS  20   4.776   5.774  -4.373
  141    HB2  CYS  20           HB2      CYS  20   5.591   3.824  -5.534
  142    HB3  CYS  20           HB1      CYS  20   6.738   5.138  -5.778
  143    H    VAL  21           HN       VAL  21   3.252   4.550  -3.443
  144    HA   VAL  21           HA       VAL  21   4.044   2.989  -1.081
  145    HB   VAL  21           HB       VAL  21   2.575   4.756  -0.446
  146   HG11  VAL  21          HG11      VAL  21   0.276   4.933  -1.405
  147   HG12  VAL  21          HG12      VAL  21   0.768   3.785  -2.649
  148   HG13  VAL  21          HG13      VAL  21   1.572   5.349  -2.525
  149   HG21  VAL  21          HG21      VAL  21   0.751   2.382  -0.553
  150   HG22  VAL  21          HG22      VAL  21   0.957   3.572   0.733
  151   HG23  VAL  21          HG23      VAL  21   2.215   2.374   0.431
  152    HA   PRO  22           HA       PRO  22   3.236  -0.640  -3.573
  153    HB2  PRO  22           HB2      PRO  22   2.986  -1.803  -0.839
  154    HB3  PRO  22           HB1      PRO  22   3.929  -2.368  -2.223
  155    HG2  PRO  22           HG2      PRO  22   5.129  -1.140  -0.199
  156    HG3  PRO  22           HG1      PRO  22   5.620  -0.817  -1.871
  157    HD2  PRO  22           HD2      PRO  22   3.983   0.854  -0.022
  158    HD3  PRO  22           HD1      PRO  22   5.176   1.354  -1.235
  159    H    GLU  23           HN       GLU  23   1.540  -2.148  -3.923
  160    HA   GLU  23           HA       GLU  23  -1.051  -1.107  -3.526
  161    HB2  GLU  23           HB2      GLU  23   0.048  -2.951  -5.212
  162    HB3  GLU  23           HB1      GLU  23  -0.871  -3.984  -4.127
  163    HG2  GLU  23           HG2      GLU  23  -2.885  -2.680  -4.601
  164    HG3  GLU  23           HG1      GLU  23  -1.959  -1.663  -5.703
  165    H    ARG  24           HN       ARG  24   0.874  -3.422  -1.759
  166    HA   ARG  24           HA       ARG  24  -1.266  -4.492  -0.212
  167    HB2  ARG  24           HB2      ARG  24   0.545  -5.915  -0.223
  168    HB3  ARG  24           HB1      ARG  24   1.714  -4.612  -0.117
  169    HG2  ARG  24           HG2      ARG  24   1.793  -5.857   1.909
  170    HG3  ARG  24           HG1      ARG  24   1.051  -4.298   2.263
  171    HD2  ARG  24           HD2      ARG  24  -1.132  -5.281   2.284
  172    HD3  ARG  24           HD1      ARG  24  -0.499  -6.820   1.716
  173    HE   ARG  24           HE       ARG  24   0.625  -7.036   3.870
  174   HH11  ARG  24          HH11      ARG  24  -1.946  -4.671   3.663
  175   HH12  ARG  24          HH12      ARG  24  -2.264  -4.695   5.362
  176   HH21  ARG  24          HH21      ARG  24   0.201  -7.058   6.099
  177   HH22  ARG  24          HH22      ARG  24  -1.048  -6.046   6.745
  178    H    TRP  25           HN       TRP  25   0.614  -1.614  -0.080
  179    HA   TRP  25           HA       TRP  25  -0.016  -1.076   2.701
  180    HB2  TRP  25           HB2      TRP  25   1.386   0.616   0.625
  181    HB3  TRP  25           HB1      TRP  25   1.230   1.029   2.328
  182    HD1  TRP  25           HD1      TRP  25   1.986  -2.603   1.674
  183    HE1  TRP  25           HE1      TRP  25   4.439  -3.096   2.268
  184    HE3  TRP  25           HE3      TRP  25   3.641   2.191   2.312
  185    HZ2  TRP  25           HZ2      TRP  25   6.774  -1.641   2.914
  186    HZ3  TRP  25           HZ3      TRP  25   5.999   2.554   2.920
  187    HH2  TRP  25           HH2      TRP  25   7.529   0.676   3.216
  188    H    LEU  26           HN       LEU  26  -1.607  -0.775  -0.227
  189    HA   LEU  26           HA       LEU  26  -2.826   1.744  -0.018
  190    HB2  LEU  26           HB2      LEU  26  -3.286  -0.737  -1.527
  191    HB3  LEU  26           HB1      LEU  26  -4.714   0.242  -1.276
  192    HG   LEU  26           HG       LEU  26  -3.812   2.066  -2.472
  193   HD11  LEU  26          HD11      LEU  26  -1.280   0.947  -1.660
  194   HD12  LEU  26          HD12      LEU  26  -1.668   2.580  -2.203
  195   HD13  LEU  26          HD13      LEU  26  -1.287   1.326  -3.383
  196   HD21  LEU  26          HD21      LEU  26  -3.656   1.194  -4.604
  197   HD22  LEU  26          HD22      LEU  26  -4.456  -0.109  -3.726
  198   HD23  LEU  26          HD23      LEU  26  -2.730  -0.210  -4.074
  199    H    CYS  27           HN       CYS  27  -4.398  -1.393   0.598
  200    HA   CYS  27           HA       CYS  27  -6.108  -0.047   2.576
  201    HB2  CYS  27           HB2      CYS  27  -6.604  -2.759   1.351
  202    HB3  CYS  27           HB1      CYS  27  -7.755  -1.712   2.173
  203    H    ASP  28           HN       ASP  28  -3.630  -0.562   3.517
  204    HA   ASP  28           HA       ASP  28  -3.508  -3.135   4.801
  205    HB2  ASP  28           HB2      ASP  28  -1.335  -2.591   4.723
  206    HB3  ASP  28           HB1      ASP  28  -1.714  -0.920   4.331
  207    H    GLY  29           HN       GLY  29  -4.739   0.007   5.562
  208    HA2  GLY  29           HA2      GLY  29  -6.442   0.065   7.323
  209    HA3  GLY  29           HA1      GLY  29  -5.381  -0.960   8.277
  210    H    ASP  30           HN       ASP  30  -3.770   1.469   6.509
  211    HA   ASP  30           HA       ASP  30  -3.981   3.510   8.539
  212    HB2  ASP  30           HB2      ASP  30  -1.575   1.743   8.302
  213    HB3  ASP  30           HB1      ASP  30  -1.360   3.435   8.738
  214    H    LYS  31           HN       LYS  31  -3.292   5.514   7.824
  215    HA   LYS  31           HA       LYS  31  -3.034   5.801   4.989
  216    HB2  LYS  31           HB2      LYS  31  -2.858   7.821   7.226
  217    HB3  LYS  31           HB1      LYS  31  -2.841   8.235   5.519
  218    HG2  LYS  31           HG2      LYS  31  -5.064   7.164   5.290
  219    HG3  LYS  31           HG1      LYS  31  -5.081   6.922   7.038
  220    HD2  LYS  31           HD2      LYS  31  -5.530   9.089   7.460
  221    HD3  LYS  31           HD1      LYS  31  -4.479   9.664   6.165
  222    HE2  LYS  31           HE2      LYS  31  -6.356  10.170   5.068
  223    HE3  LYS  31           HE1      LYS  31  -6.531   8.435   4.805
  224    HZ1  LYS  31           HZ1      LYS  31  -7.985  10.195   6.603
  225    HZ2  LYS  31           HZ2      LYS  31  -7.608   8.665   7.218
  226    HZ3  LYS  31           HZ3      LYS  31  -8.505   8.804   5.791
  227    H    ASP  32           HN       ASP  32  -1.096   4.641   4.585
  228    HA   ASP  32           HA       ASP  32   1.397   5.375   5.727
  229    HB2  ASP  32           HB2      ASP  32   0.430   3.417   3.869
  230    HB3  ASP  32           HB1      ASP  32   1.861   4.190   3.201
  231    H    CYS  33           HN       CYS  33  -0.539   6.821   3.330
  232    HA   CYS  33           HA       CYS  33   1.726   8.189   2.092
  233    HB2  CYS  33           HB2      CYS  33  -1.017   7.575   1.299
  234    HB3  CYS  33           HB1      CYS  33  -0.575   9.245   0.968
  235    H    ALA  34           HN       ALA  34   1.346  10.603   1.683
  236    HA   ALA  34           HA       ALA  34   1.381  11.963   4.109
  237    HB1  ALA  34           HB1      ALA  34   2.432  13.149   2.473
  238    HB2  ALA  34           HB2      ALA  34   0.882  13.990   2.493
  239    HB3  ALA  34           HB3      ALA  34   1.209  12.773   1.259
  240    H    ASP  35           HN       ASP  35  -1.277  11.358   1.888
  241    HA   ASP  35           HA       ASP  35  -3.108  12.521   3.878
  242    HB2  ASP  35           HB2      ASP  35  -2.695  13.414   1.227
  243    HB3  ASP  35           HB1      ASP  35  -4.265  12.618   1.248
  244    H    GLY  36           HN       GLY  36  -2.291   9.775   3.663
  245    HA2  GLY  36           HA2      GLY  36  -3.228   7.676   3.690
  246    HA3  GLY  36           HA1      GLY  36  -4.768   8.497   3.880
  247    H    ALA  37           HN       ALA  37  -2.807   9.095   1.073
  248    HA   ALA  37           HA       ALA  37  -4.814   8.533  -0.764
  249    HB1  ALA  37           HB1      ALA  37  -1.824   8.543  -1.111
  250    HB2  ALA  37           HB2      ALA  37  -2.947   9.869  -1.412
  251    HB3  ALA  37           HB3      ALA  37  -2.971   8.440  -2.446
  252    H    ASP  38           HN       ASP  38  -2.373   6.440   0.638
  253    HA   ASP  38           HA       ASP  38  -2.683   4.232  -1.076
  254    HB2  ASP  38           HB2      ASP  38  -1.612   2.937   0.703
  255    HB3  ASP  38           HB1      ASP  38  -0.802   4.486   0.509
  256    H    GLU  39           HN       GLU  39  -4.318   5.197   1.894
  257    HA   GLU  39           HA       GLU  39  -6.079   2.888   1.800
  258    HB2  GLU  39           HB2      GLU  39  -6.302   5.222   3.686
  259    HB3  GLU  39           HB1      GLU  39  -6.897   3.585   3.913
  260    HG2  GLU  39           HG2      GLU  39  -3.973   4.220   3.693
  261    HG3  GLU  39           HG1      GLU  39  -4.842   4.251   5.226
  262    H    SER  40           HN       SER  40  -5.948   5.751   0.212
  263    HA   SER  40           HA       SER  40  -8.810   6.296   0.256
  264    HB2  SER  40           HB2      SER  40  -6.600   7.708  -1.255
  265    HB3  SER  40           HB1      SER  40  -8.267   8.258  -1.092
  266    HG   SER  40           HG       SER  40  -7.454   9.282   0.568
  267    H    ILE  41           HN       ILE  41  -9.844   6.713  -1.910
  268    HA   ILE  41           HA       ILE  41  -9.681   4.335  -3.461
  269    HB   ILE  41           HB       ILE  41 -11.768   5.640  -3.055
  270   HG12  ILE  41          HG12      ILE  41 -12.476   5.486  -5.563
  271   HG13  ILE  41          HG11      ILE  41 -10.865   4.818  -5.786
  272   HG21  ILE  41          HG21      ILE  41 -10.664   7.489  -5.160
  273   HG22  ILE  41          HG22      ILE  41 -10.802   7.872  -3.443
  274   HG23  ILE  41          HG23      ILE  41 -12.254   7.584  -4.403
  275   HD11  ILE  41          HD11      ILE  41 -11.632   2.840  -5.179
  276   HD12  ILE  41          HD12      ILE  41 -13.224   3.532  -4.867
  277   HD13  ILE  41          HD13      ILE  41 -12.012   3.492  -3.586
  278    H    ALA  42           HN       ALA  42  -8.227   7.458  -3.674
  279    HA   ALA  42           HA       ALA  42  -7.718   7.796  -6.353
  280    HB1  ALA  42           HB1      ALA  42  -5.438   8.735  -5.428
  281    HB2  ALA  42           HB2      ALA  42  -6.236   8.504  -3.872
  282    HB3  ALA  42           HB3      ALA  42  -6.965   9.551  -5.091
  283    H    ALA  43           HN       ALA  43  -6.381   5.457  -4.170
  284    HA   ALA  43           HA       ALA  43  -4.329   4.641  -6.082
  285    HB1  ALA  43           HB1      ALA  43  -3.347   3.418  -4.346
  286    HB2  ALA  43           HB2      ALA  43  -4.847   3.365  -3.418
  287    HB3  ALA  43           HB3      ALA  43  -3.952   4.877  -3.561
  288    H    GLY  44           HN       GLY  44  -7.464   3.722  -4.954
  289    HA2  GLY  44           HA2      GLY  44  -8.787   2.247  -6.348
  290    HA3  GLY  44           HA1      GLY  44  -7.326   1.318  -6.658
  291    H    CYS  45           HN       CYS  45  -8.336   2.539  -3.531
  292    HA   CYS  45           HA       CYS  45  -8.137  -0.090  -2.380
  293    HB2  CYS  45           HB2      CYS  45  -7.410   2.083  -1.281
  294    HB3  CYS  45           HB1      CYS  45  -9.117   2.422  -1.026
  295    H    LEU  46           HN       LEU  46 -10.550   1.314  -4.101
  296    HA   LEU  46           HA       LEU  46 -12.741   0.812  -4.419
  297    HB2  LEU  46           HB2      LEU  46 -12.474  -1.273  -2.264
  298    HB3  LEU  46           HB1      LEU  46 -13.660  -1.210  -3.552
  299    HG   LEU  46           HG       LEU  46 -12.307  -2.792  -4.441
  300   HD11  LEU  46          HD11      LEU  46 -12.140  -0.620  -5.821
  301   HD12  LEU  46          HD12      LEU  46 -11.039  -1.949  -6.184
  302   HD13  LEU  46          HD13      LEU  46 -10.475  -0.568  -5.242
  303   HD21  LEU  46          HD21      LEU  46 -10.691  -2.206  -2.322
  304   HD22  LEU  46          HD22      LEU  46  -9.656  -1.819  -3.696
  305   HD23  LEU  46          HD23      LEU  46 -10.363  -3.428  -3.548
  306    H    TYR  47           HN       TYR  47 -11.595   2.406  -1.967
  307    HA   TYR  47           HA       TYR  47 -14.016   3.516  -1.134
  308    HB2  TYR  47           HB2      TYR  47 -14.225   2.711   1.144
  309    HB3  TYR  47           HB1      TYR  47 -14.278   1.339   0.043
  310    HD1  TYR  47           HD2      TYR  47 -12.244   3.097   2.555
  311    HD2  TYR  47           HD1      TYR  47 -12.560  -0.335   0.062
  312    HE1  TYR  47           HE2      TYR  47 -10.422   2.026   3.809
  313    HE2  TYR  47           HE1      TYR  47 -10.738  -1.417   1.308
  314    HH   TYR  47           HH       TYR  47  -8.623   0.082   3.145
  315    H    ASN  48           HN       ASN  48 -13.450   4.521   1.332
  316    HA   ASN  48           HA       ASN  48 -10.805   5.296   1.803
  317    HB2  ASN  48           HB2      ASN  48 -10.897   6.468  -0.305
  318    HB3  ASN  48           HB1      ASN  48 -12.406   7.248   0.146
  319   HD21  ASN  48          HD21      ASN  48  -9.481   6.762   2.061
  320   HD22  ASN  48          HD22      ASN  48  -9.148   8.439   2.304
  321    H    SER  49           HN       SER  49 -14.191   6.284   1.912
  322    HA   SER  49           HA       SER  49 -13.765   7.655   4.450
  323    HB2  SER  49           HB2      SER  49 -15.856   7.664   2.368
  324    HB3  SER  49           HB1      SER  49 -16.452   7.805   4.022
  325    HG   SER  49           HG       SER  49 -14.341   9.407   3.033
  326    H    THR  50           HN       THR  50 -16.387   5.501   3.383
  327    HA   THR  50           HA       THR  50 -16.787   4.493   6.021
  328    HB   THR  50           HB       THR  50 -18.530   3.163   5.082
  329    HG1  THR  50           HG1      THR  50 -17.170   3.558   2.638
  330   HG21  THR  50          HG21      THR  50 -18.514   5.851   4.709
  331   HG22  THR  50          HG22      THR  50 -19.889   4.792   4.396
  332   HG23  THR  50          HG23      THR  50 -18.820   5.264   3.075
  333    H    GLY  51           HN       GLY  51 -16.163   2.591   6.936
  334    HA2  GLY  51           HA2      GLY  51 -15.383   0.320   6.791
  335    HA3  GLY  51           HA1      GLY  51 -14.579   0.737   5.286
  336    H    SER  52           HN       SER  52 -13.595   3.287   6.547
  337    HA   SER  52           HA       SER  52 -11.760   4.051   7.650
  338    HB2  SER  52           HB2      SER  52 -12.702   1.838   9.333
  339    HB3  SER  52           HB1      SER  52 -10.982   2.185   9.513
  340    HG   SER  52           HG       SER  52 -12.092   3.488  10.931
  341    H    GLY  53           HN       GLY  53 -11.107   0.559   7.882
  342    HA2  GLY  53           HA2      GLY  53  -8.883   0.940   5.981
  343    HA3  GLY  53           HA1      GLY  53  -8.622   0.121   7.513
  344    H    SER  54           HN       SER  54 -11.640  -0.369   5.909
  345    HA   SER  54           HA       SER  54 -10.988  -2.505   4.220
  346    HB2  SER  54           HB2      SER  54 -11.437  -4.444   5.493
  347    HB3  SER  54           HB1      SER  54 -10.363  -3.481   6.505
  348    HG   SER  54           HG       SER  54 -12.364  -4.418   7.481
  349    H    GLY  55           HN       GLY  55 -12.603  -0.674   3.531
  350    HA2  GLY  55           HA2      GLY  55 -15.352  -1.350   4.284
  351    HA3  GLY  55           HA1      GLY  55 -14.847   0.073   3.387
  352    H    SER  56           HN       SER  56 -13.668  -3.086   2.523
  353    HA   SER  56           HA       SER  56 -15.471  -3.088   0.192
  354    HB2  SER  56           HB2      SER  56 -13.512  -2.594  -0.897
  355    HB3  SER  56           HB1      SER  56 -12.508  -3.348   0.339
  356    HG   SER  56           HG       SER  56 -13.816  -4.504  -1.852
  357    H    GLY  57           HN       GLY  57 -13.092  -5.279   1.715
  358    HA2  GLY  57           HA2      GLY  57 -14.152  -7.191   2.973
  359    HA3  GLY  57           HA1      GLY  57 -15.128  -7.411   1.529
  360    H    SER 129           HN       SER 129 -14.486  -9.327   0.753
  361    HA   SER 129           HA       SER 129 -11.952 -10.457   0.951
  362    HB2  SER 129           HB2      SER 129 -14.190 -10.908  -1.023
  363    HB3  SER 129           HB1      SER 129 -12.713 -11.870  -1.032
  364    HG   SER 129           HG       SER 129 -14.438 -12.798   0.213
  365    H    THR 130           HN       THR 130 -13.371  -8.623  -1.749
  366    HA   THR 130           HA       THR 130 -11.278  -8.803  -3.546
  367    HB   THR 130           HB       THR 130 -12.802  -6.239  -3.212
  368    HG1  THR 130           HG1      THR 130 -13.796  -8.746  -4.049
  369   HG21  THR 130          HG21      THR 130 -11.601  -7.741  -5.480
  370   HG22  THR 130          HG22      THR 130 -11.525  -6.020  -5.094
  371   HG23  THR 130          HG23      THR 130 -13.003  -6.709  -5.767
  372    H    GLU 131           HN       GLU 131 -11.617  -6.731  -0.735
  373    HA   GLU 131           HA       GLU 131  -9.559  -4.913  -1.245
  374    HB2  GLU 131           HB2      GLU 131 -11.267  -4.831   0.627
  375    HB3  GLU 131           HB1      GLU 131 -10.267  -5.997   1.481
  376    HG2  GLU 131           HG2      GLU 131  -8.391  -4.203   0.989
  377    HG3  GLU 131           HG1      GLU 131  -9.785  -3.127   0.923
  378    H    GLU 132           HN       GLU 132  -9.445  -7.921   0.659
  379    HA   GLU 132           HA       GLU 132  -6.630  -7.849   1.009
  380    HB2  GLU 132           HB2      GLU 132  -8.220 -10.390   1.120
  381    HB3  GLU 132           HB1      GLU 132  -6.843  -9.904   2.100
  382    HG2  GLU 132           HG2      GLU 132  -8.777  -8.011   2.676
  383    HG3  GLU 132           HG1      GLU 132  -9.676  -9.522   2.553
  384    H    LEU 133           HN       LEU 133  -8.744  -9.205  -1.417
  385    HA   LEU 133           HA       LEU 133  -7.067 -11.037  -2.634
  386    HB2  LEU 133           HB2      LEU 133  -9.417  -9.475  -3.399
  387    HB3  LEU 133           HB1      LEU 133  -8.391  -9.887  -4.759
  388    HG   LEU 133           HG       LEU 133  -8.732 -12.187  -4.481
  389   HD11  LEU 133          HD11      LEU 133  -9.642 -11.507  -1.700
  390   HD12  LEU 133          HD12      LEU 133  -8.309 -12.549  -2.198
  391   HD13  LEU 133          HD13      LEU 133  -9.976 -13.070  -2.447
  392   HD21  LEU 133          HD21      LEU 133 -11.434 -11.578  -3.554
  393   HD22  LEU 133          HD22      LEU 133 -10.884 -12.261  -5.084
  394   HD23  LEU 133          HD23      LEU 133 -10.868 -10.514  -4.842
  395    H    ARG 134           HN       ARG 134  -7.136  -7.529  -2.976
  396    HA   ARG 134           HA       ARG 134  -4.997  -7.628  -4.962
  397    HB2  ARG 134           HB2      ARG 134  -5.359  -5.212  -5.178
  398    HB3  ARG 134           HB1      ARG 134  -6.857  -6.108  -5.386
  399    HG2  ARG 134           HG2      ARG 134  -7.473  -5.574  -3.063
  400    HG3  ARG 134           HG1      ARG 134  -5.995  -4.625  -2.912
  401    HD2  ARG 134           HD2      ARG 134  -8.493  -3.750  -3.811
  402    HD3  ARG 134           HD1      ARG 134  -6.974  -2.861  -3.841
  403    HE   ARG 134           HE       ARG 134  -6.828  -3.229  -6.108
  404   HH11  ARG 134          HH11      ARG 134  -9.363  -5.224  -4.771
  405   HH12  ARG 134          HH12      ARG 134  -9.992  -5.678  -6.319
  406   HH21  ARG 134          HH21      ARG 134  -7.655  -3.827  -8.143
  407   HH22  ARG 134          HH22      ARG 134  -9.023  -4.886  -8.233
  408    H    VAL 135           HN       VAL 135  -5.597  -6.547  -1.668
  409    HA   VAL 135           HA       VAL 135  -3.037  -5.318  -1.330
  410    HB   VAL 135           HB       VAL 135  -5.084  -6.179   0.714
  411   HG11  VAL 135          HG11      VAL 135  -3.943  -4.703   2.270
  412   HG12  VAL 135          HG12      VAL 135  -2.725  -4.337   1.050
  413   HG13  VAL 135          HG13      VAL 135  -2.857  -5.970   1.702
  414   HG21  VAL 135          HG21      VAL 135  -6.250  -4.395   0.100
  415   HG22  VAL 135          HG22      VAL 135  -5.067  -4.052  -1.163
  416   HG23  VAL 135          HG23      VAL 135  -4.864  -3.360   0.446
  417    H    ARG 136           HN       ARG 136  -4.403  -8.476  -0.574
  418    HA   ARG 136           HA       ARG 136  -2.314  -9.428   1.051
  419    HB2  ARG 136           HB2      ARG 136  -4.535 -10.474   0.936
  420    HB3  ARG 136           HB1      ARG 136  -4.210 -10.986  -0.715
  421    HG2  ARG 136           HG2      ARG 136  -2.134 -12.144   0.396
  422    HG3  ARG 136           HG1      ARG 136  -3.133 -12.035   1.847
  423    HD2  ARG 136           HD2      ARG 136  -4.061 -13.948   1.159
  424    HD3  ARG 136           HD1      ARG 136  -4.903 -12.961  -0.036
  425    HE   ARG 136           HE       ARG 136  -3.572 -13.856  -1.674
  426   HH11  ARG 136          HH11      ARG 136  -2.208 -14.623   1.447
  427   HH12  ARG 136          HH12      ARG 136  -1.035 -15.721   0.803
  428   HH21  ARG 136          HH21      ARG 136  -2.029 -15.299  -2.522
  429   HH22  ARG 136          HH22      ARG 136  -0.933 -16.105  -1.450
  430    H    LEU 137           HN       LEU 137  -2.675  -9.271  -2.426
  431    HA   LEU 137           HA       LEU 137  -0.671 -11.142  -3.095
  432    HB2  LEU 137           HB2      LEU 137  -2.246 -10.481  -4.764
  433    HB3  LEU 137           HB1      LEU 137  -1.808  -8.792  -4.596
  434    HG   LEU 137           HG       LEU 137  -0.959 -10.109  -6.654
  435   HD11  LEU 137          HD11      LEU 137   0.464  -8.415  -6.937
  436   HD12  LEU 137          HD12      LEU 137   1.394  -8.833  -5.498
  437   HD13  LEU 137          HD13      LEU 137  -0.075  -7.869  -5.350
  438   HD21  LEU 137          HD21      LEU 137   0.003 -11.855  -4.859
  439   HD22  LEU 137          HD22      LEU 137   1.414 -10.812  -5.040
  440   HD23  LEU 137          HD23      LEU 137   0.720 -11.611  -6.452
  441    H    ALA 138           HN       ALA 138  -0.558  -7.607  -2.730
  442    HA   ALA 138           HA       ALA 138   2.217  -7.423  -3.335
  443    HB1  ALA 138           HB1      ALA 138   1.827  -5.113  -2.130
  444    HB2  ALA 138           HB2      ALA 138   0.134  -5.558  -2.349
  445    HB3  ALA 138           HB3      ALA 138   1.204  -5.436  -3.747
  446    H    SER 139           HN       SER 139   0.740  -8.713  -0.660
  447    HA   SER 139           HA       SER 139   2.512  -7.671   1.351
  448    HB2  SER 139           HB2      SER 139   0.564  -8.305   2.371
  449    HB3  SER 139           HB1      SER 139   0.286  -9.645   1.262
  450    HG   SER 139           HG       SER 139   0.958 -10.774   2.916
  451    H    HIS 140           HN       HIS 140   2.767 -10.045  -1.059
  452    HA   HIS 140           HA       HIS 140   4.250 -12.060   0.109
  453    HB2  HIS 140           HB2      HIS 140   5.201 -12.463  -2.138
  454    HB3  HIS 140           HB1      HIS 140   3.456 -12.241  -2.167
  455    HD1  HIS 140           HD1      HIS 140   5.554 -11.721  -4.583
  456    HD2  HIS 140           HD2      HIS 140   3.663  -8.884  -2.223
  457    HE1  HIS 140           HE1      HIS 140   5.507  -9.580  -5.933
  458    H    LEU 141           HN       LEU 141   5.353  -8.877  -0.964
  459    HA   LEU 141           HA       LEU 141   7.884  -9.404   0.420
  460    HB2  LEU 141           HB2      LEU 141   8.375  -9.775  -1.906
  461    HB3  LEU 141           HB1      LEU 141   7.607  -8.264  -2.355
  462    HG   LEU 141           HG       LEU 141   9.570  -7.499  -0.540
  463   HD11  LEU 141          HD11      LEU 141  10.867  -9.372  -2.490
  464   HD12  LEU 141          HD12      LEU 141  10.421  -9.883  -0.861
  465   HD13  LEU 141          HD13      LEU 141  11.573  -8.566  -1.088
  466   HD21  LEU 141          HD21      LEU 141   9.116  -6.146  -2.386
  467   HD22  LEU 141          HD22      LEU 141   9.367  -7.464  -3.532
  468   HD23  LEU 141          HD23      LEU 141  10.744  -6.752  -2.691
  469    H    ARG 142           HN       ARG 142   6.138  -6.828  -1.325
  470    HA   ARG 142           HA       ARG 142   7.216  -4.582  -0.345
  471    HB2  ARG 142           HB2      ARG 142   4.221  -4.932  -0.405
  472    HB3  ARG 142           HB1      ARG 142   5.135  -3.453  -0.662
  473    HG2  ARG 142           HG2      ARG 142   4.860  -5.815  -2.488
  474    HG3  ARG 142           HG1      ARG 142   4.436  -4.131  -2.794
  475    HD2  ARG 142           HD2      ARG 142   6.952  -3.671  -2.460
  476    HD3  ARG 142           HD1      ARG 142   7.148  -5.407  -2.691
  477    HE   ARG 142           HE       ARG 142   6.685  -5.139  -4.925
  478   HH11  ARG 142          HH11      ARG 142   5.860  -2.209  -3.221
  479   HH12  ARG 142          HH12      ARG 142   5.645  -1.280  -4.665
  480   HH21  ARG 142          HH21      ARG 142   6.413  -3.920  -6.825
  481   HH22  ARG 142          HH22      ARG 142   5.957  -2.253  -6.715
  482    H    LYS 143           HN       LYS 143   5.159  -6.747   1.506
  483    HA   LYS 143           HA       LYS 143   5.337  -4.958   3.820
  484    HB2  LYS 143           HB2      LYS 143   3.289  -6.607   2.855
  485    HB3  LYS 143           HB1      LYS 143   3.873  -7.402   4.309
  486    HG2  LYS 143           HG2      LYS 143   2.011  -5.857   4.742
  487    HG3  LYS 143           HG1      LYS 143   3.480  -5.419   5.612
  488    HD2  LYS 143           HD2      LYS 143   3.889  -3.581   4.254
  489    HD3  LYS 143           HD1      LYS 143   2.880  -4.201   2.946
  490    HE2  LYS 143           HE2      LYS 143   1.895  -2.275   4.206
  491    HE3  LYS 143           HE1      LYS 143   0.883  -3.718   4.154
  492    HZ1  LYS 143           HZ1      LYS 143   1.399  -2.390   6.385
  493    HZ2  LYS 143           HZ2      LYS 143   2.685  -3.488   6.426
  494    HZ3  LYS 143           HZ3      LYS 143   1.092  -4.054   6.359
  495    H    LEU 144           HN       LEU 144   6.011  -8.308   2.866
  496    HA   LEU 144           HA       LEU 144   7.161  -9.112   5.309
  497    HB2  LEU 144           HB2      LEU 144   7.381 -10.131   2.491
  498    HB3  LEU 144           HB1      LEU 144   8.297 -10.861   3.796
  499    HG   LEU 144           HG       LEU 144   5.334 -10.567   4.074
  500   HD11  LEU 144          HD11      LEU 144   5.299 -12.979   3.140
  501   HD12  LEU 144          HD12      LEU 144   6.792 -12.508   2.328
  502   HD13  LEU 144          HD13      LEU 144   5.300 -11.623   2.013
  503   HD21  LEU 144          HD21      LEU 144   5.979 -12.935   5.135
  504   HD22  LEU 144          HD22      LEU 144   6.079 -11.421   6.033
  505   HD23  LEU 144          HD23      LEU 144   7.530 -12.113   5.308
  506    H    ARG 145           HN       ARG 145   8.800  -8.350   2.230
  507    HA   ARG 145           HA       ARG 145  11.232  -7.737   3.756
  508    HB2  ARG 145           HB2      ARG 145  11.021  -9.375   1.664
  509    HB3  ARG 145           HB1      ARG 145  11.248  -7.871   0.781
  510    HG2  ARG 145           HG2      ARG 145  13.359  -9.028   1.120
  511    HG3  ARG 145           HG1      ARG 145  13.341  -7.478   1.962
  512    HD2  ARG 145           HD2      ARG 145  12.337  -9.397   3.767
  513    HD3  ARG 145           HD1      ARG 145  13.766 -10.106   3.015
  514    HE   ARG 145           HE       ARG 145  13.725  -8.032   4.939
  515   HH11  ARG 145          HH11      ARG 145  15.405  -9.058   2.057
  516   HH12  ARG 145          HH12      ARG 145  16.884  -8.266   2.486
  517   HH21  ARG 145          HH21      ARG 145  15.670  -6.990   5.505
  518   HH22  ARG 145          HH22      ARG 145  17.035  -7.092   4.444
  519    H    LYS 146           HN       LYS 146  12.575  -5.919   2.914
  520    HA   LYS 146           HA       LYS 146  10.921  -3.735   1.841
  521    HB2  LYS 146           HB2      LYS 146  11.224  -3.518   4.303
  522    HB3  LYS 146           HB1      LYS 146  12.962  -3.450   4.049
  523    HG2  LYS 146           HG2      LYS 146  12.159  -1.226   4.341
  524    HG3  LYS 146           HG1      LYS 146  12.618  -1.425   2.650
  525    HD2  LYS 146           HD2      LYS 146  10.599  -0.598   2.163
  526    HD3  LYS 146           HD1      LYS 146   9.965  -2.166   2.668
  527    HE2  LYS 146           HE2      LYS 146  10.440  -0.471   4.952
  528    HE3  LYS 146           HE1      LYS 146   9.403   0.340   3.780
  529    HZ1  LYS 146           HZ1      LYS 146   8.814  -1.858   5.513
  530    HZ2  LYS 146           HZ2      LYS 146   8.408  -2.196   3.906
  531    HZ3  LYS 146           HZ3      LYS 146   7.759  -0.835   4.674
  532    H    ARG 147           HN       ARG 147  11.910  -4.302  -0.194
  533    HA   ARG 147           HA       ARG 147  13.366  -3.916  -1.894
  534    HB2  ARG 147           HB2      ARG 147  13.411  -1.615  -1.099
  535    HB3  ARG 147           HB1      ARG 147  14.634  -2.023   0.094
  536    HG2  ARG 147           HG2      ARG 147  16.307  -1.927  -1.396
  537    HG3  ARG 147           HG1      ARG 147  15.351  -2.681  -2.673
  538    HD2  ARG 147           HD2      ARG 147  14.668  -0.703  -3.504
  539    HD3  ARG 147           HD1      ARG 147  14.488   0.021  -1.906
  540    HE   ARG 147           HE       ARG 147  16.523   0.983  -2.215
  541   HH11  ARG 147          HH11      ARG 147  16.390  -1.896  -4.183
  542   HH12  ARG 147          HH12      ARG 147  17.959  -1.648  -4.873
  543   HH21  ARG 147          HH21      ARG 147  18.587   1.311  -3.121
  544   HH22  ARG 147          HH22      ARG 147  19.206   0.172  -4.270
  545    H    LEU 148           HN       LEU 148  15.633  -3.551   0.821
  546    HA   LEU 148           HA       LEU 148  16.735  -6.178   0.445
  547    HB2  LEU 148           HB2      LEU 148  17.694  -4.728  -1.420
  548    HB3  LEU 148           HB1      LEU 148  18.544  -3.851  -0.163
  549    HG   LEU 148           HG       LEU 148  19.473  -6.181   0.511
  550   HD11  LEU 148          HD11      LEU 148  18.006  -7.509  -0.896
  551   HD12  LEU 148          HD12      LEU 148  19.689  -7.726  -1.380
  552   HD13  LEU 148          HD13      LEU 148  18.622  -6.696  -2.335
  553   HD21  LEU 148          HD21      LEU 148  20.612  -5.391  -2.092
  554   HD22  LEU 148          HD22      LEU 148  21.389  -5.585  -0.521
  555   HD23  LEU 148          HD23      LEU 148  20.484  -4.115  -0.881
  556    H    LEU 149           HN       LEU 149  17.894  -2.993   1.560
  557    HA   LEU 149           HA       LEU 149  19.196  -3.990   3.843
  558    HB2  LEU 149           HB2      LEU 149  19.217  -1.627   4.596
  559    HB3  LEU 149           HB1      LEU 149  19.804  -1.850   2.959
  560    HG   LEU 149           HG       LEU 149  17.449  -1.188   2.199
  561   HD11  LEU 149          HD11      LEU 149  16.012  -1.161   3.940
  562   HD12  LEU 149          HD12      LEU 149  16.594   0.496   4.096
  563   HD13  LEU 149          HD13      LEU 149  17.268  -0.776   5.116
  564   HD21  LEU 149          HD21      LEU 149  18.929   0.999   3.625
  565   HD22  LEU 149          HD22      LEU 149  18.050   1.071   2.098
  566   HD23  LEU 149          HD23      LEU 149  19.587   0.211   2.191
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1   4.752   9.239   4.115
    2    H2   GLY   1           HT2      GLY   1   5.990   9.025   5.247
    3    H3   GLY   1           HT3      GLY   1   5.944  10.426   4.300
    4    HA2  GLY   1           HA1      GLY   1   5.061  11.268   6.200
    5    HA3  GLY   1           HA2      GLY   1   3.603  10.717   5.388
    6    H    SER   2           HN       SER   2   4.415   7.870   5.858
    7    HA   SER   2           HA       SER   2   3.655   7.749   8.702
    8    HB2  SER   2           HB2      SER   2   2.948   5.939   6.389
    9    HB3  SER   2           HB1      SER   2   2.704   5.471   8.072
   10    HG   SER   2           HG       SER   2   0.868   6.468   7.815
   11    H    LYS   2           HN       LYS   2   4.904   5.325   6.425
   12    HA   LYS   2           HA       LYS   2   7.349   5.069   7.992
   13    HB2  LYS   2           HB2      LYS   2   5.305   2.884   7.646
   14    HB3  LYS   2           HB1      LYS   2   6.990   2.537   8.014
   15    HG2  LYS   2           HG2      LYS   2   6.395   2.677  10.151
   16    HG3  LYS   2           HG1      LYS   2   6.324   4.422   9.900
   17    HD2  LYS   2           HD2      LYS   2   3.884   3.517   8.954
   18    HD3  LYS   2           HD1      LYS   2   4.179   2.520  10.380
   19    HE2  LYS   2           HE2      LYS   2   4.138   5.529  10.230
   20    HE3  LYS   2           HE1      LYS   2   2.977   4.486  11.051
   21    HZ1  LYS   2           HZ1      LYS   2   5.788   5.034  11.800
   22    HZ2  LYS   2           HZ2      LYS   2   4.928   3.724  12.437
   23    HZ3  LYS   2           HZ3      LYS   2   4.389   5.303  12.714
   24    H    LEU   2           HN       LEU   2   6.671   5.964   5.291
   25    HA   LEU   2           HA       LEU   2   7.842   3.859   3.623
   26    HB2  LEU   2           HB2      LEU   2   6.360   6.399   2.999
   27    HB3  LEU   2           HB1      LEU   2   7.250   5.526   1.766
   28    HG   LEU   2           HG       LEU   2   5.834   3.564   2.099
   29   HD11  LEU   2          HD11      LEU   2   3.858   3.692   3.537
   30   HD12  LEU   2          HD12      LEU   2   4.391   5.266   4.127
   31   HD13  LEU   2          HD13      LEU   2   5.349   3.825   4.466
   32   HD21  LEU   2          HD21      LEU   2   4.853   4.710   0.419
   33   HD22  LEU   2          HD22      LEU   2   4.748   6.204   1.351
   34   HD23  LEU   2          HD23      LEU   2   3.569   4.918   1.610
   35    H    GLU   3           HN       GLU   3   9.543   4.437   2.091
   36    HA   GLU   3           HA       GLU   3  10.990   6.833   2.197
   37    HB2  GLU   3           HB2      GLU   3  13.015   6.007   3.422
   38    HB3  GLU   3           HB1      GLU   3  11.608   6.286   4.439
   39    HG2  GLU   3           HG2      GLU   3  11.169   3.961   4.612
   40    HG3  GLU   3           HG1      GLU   3  12.359   3.583   3.369
   41    H    GLY   4           HN       GLY   4  10.166   5.252   0.123
   42    HA2  GLY   4           HA2      GLY   4  11.895   5.140  -1.780
   43    HA3  GLY   4           HA1      GLY   4  12.603   3.871  -0.793
   44    H    LYS   5           HN       LYS   5  11.435   1.906  -0.498
   45    HA   LYS   5           HA       LYS   5  10.098   0.171  -1.126
   46    HB2  LYS   5           HB2      LYS   5   8.375   2.154  -2.614
   47    HB3  LYS   5           HB1      LYS   5   7.914   0.569  -2.010
   48    HG2  LYS   5           HG2      LYS   5   8.606   2.970  -0.332
   49    HG3  LYS   5           HG1      LYS   5   6.988   2.328  -0.624
   50    HD2  LYS   5           HD2      LYS   5   7.225   0.767   0.955
   51    HD3  LYS   5           HD1      LYS   5   8.812   0.290   0.347
   52    HE2  LYS   5           HE2      LYS   5   8.421   2.793   1.959
   53    HE3  LYS   5           HE1      LYS   5   8.674   1.226   2.727
   54    HZ1  LYS   5           HZ1      LYS   5  10.796   2.084   2.569
   55    HZ2  LYS   5           HZ2      LYS   5  10.530   2.785   1.053
   56    HZ3  LYS   5           HZ3      LYS   5  10.713   1.109   1.188
   57    H    THR   6           HN       THR   6   8.782  -0.398  -3.490
   58    HA   THR   6           HA       THR   6  11.048  -0.489  -5.336
   59    HB   THR   6           HB       THR   6  10.407  -2.577  -5.826
   60    HG1  THR   6           HG1      THR   6   8.900  -2.381  -7.270
   61   HG21  THR   6          HG21      THR   6   9.790  -2.605  -3.419
   62   HG22  THR   6          HG22      THR   6   8.916  -3.772  -4.412
   63   HG23  THR   6          HG23      THR   6   8.123  -2.284  -3.896
   64    H    CYS   7           HN       CYS   7   7.600   0.298  -5.267
   65    HA   CYS   7           HA       CYS   7   6.278   1.544  -6.628
   66    HB2  CYS   7           HB2      CYS   7   8.476   3.115  -7.802
   67    HB3  CYS   7           HB1      CYS   7   7.028   3.653  -6.961
   68    H    GLY   8           HN       GLY   8   7.736  -0.855  -7.751
   69    HA2  GLY   8           HA2      GLY   8   7.704  -0.117 -10.604
   70    HA3  GLY   8           HA1      GLY   8   8.494  -1.538  -9.934
   71    HA   PRO   9           HA       PRO   9   4.968  -4.005 -10.887
   72    HB2  PRO   9           HB2      PRO   9   5.121  -5.283  -8.232
   73    HB3  PRO   9           HB1      PRO   9   5.343  -5.996  -9.829
   74    HG2  PRO   9           HG2      PRO   9   7.408  -5.633  -8.168
   75    HG3  PRO   9           HG1      PRO   9   7.580  -5.419  -9.921
   76    HD2  PRO   9           HD2      PRO   9   7.257  -3.342  -7.782
   77    HD3  PRO   9           HD1      PRO   9   8.351  -3.353  -9.182
   78    H    SER  10           HN       SER  10   3.289  -5.113  -8.642
   79    HA   SER  10           HA       SER  10   1.234  -3.250  -8.647
   80    HB2  SER  10           HB2      SER  10   1.866  -5.678  -7.052
   81    HB3  SER  10           HB1      SER  10   0.622  -4.601  -6.418
   82    HG   SER  10           HG       SER  10  -0.222  -6.218  -7.824
   83    H    SER  11           HN       SER  11   2.089  -1.208  -8.149
   84    HA   SER  11           HA       SER  11   2.245  -0.661  -5.293
   85    HB2  SER  11           HB2      SER  11   4.426   0.024  -7.267
   86    HB3  SER  11           HB1      SER  11   4.251   0.849  -5.717
   87    HG   SER  11           HG       SER  11   5.031  -0.844  -4.736
   88    H    PHE  12           HN       PHE  12   2.173   1.708  -4.856
   89    HA   PHE  12           HA       PHE  12   0.890   3.225  -7.017
   90    HB2  PHE  12           HB2      PHE  12  -0.971   2.433  -5.760
   91    HB3  PHE  12           HB1      PHE  12  -0.174   2.780  -4.230
   92    HD1  PHE  12           HD1      PHE  12  -1.397   4.506  -7.297
   93    HD2  PHE  12           HD2      PHE  12  -0.711   4.711  -3.102
   94    HE1  PHE  12           HE1      PHE  12  -2.490   6.710  -7.230
   95    HE2  PHE  12           HE2      PHE  12  -1.804   6.914  -3.027
   96    HZ   PHE  12           HZ       PHE  12  -2.696   7.916  -5.093
   97    H    SER  13           HN       SER  13   1.645   5.249  -7.208
   98    HA   SER  13           HA       SER  13   3.687   6.153  -5.395
   99    HB2  SER  13           HB2      SER  13   2.953   6.674  -8.098
  100    HB3  SER  13           HB1      SER  13   2.964   8.210  -7.233
  101    HG   SER  13           HG       SER  13   5.074   7.921  -6.727
  102    H    CYS  14           HN       CYS  14   3.255   7.188  -3.560
  103    HA   CYS  14           HA       CYS  14   0.778   8.109  -2.748
  104    HB2  CYS  14           HB2      CYS  14   3.569   8.542  -1.830
  105    HB3  CYS  14           HB1      CYS  14   2.347   9.639  -1.207
  106    HA   PRO  15           HA       PRO  15   0.362  11.793  -5.257
  107    HB2  PRO  15           HB2      PRO  15  -1.917  12.398  -3.503
  108    HB3  PRO  15           HB1      PRO  15  -1.890  12.097  -5.240
  109    HG2  PRO  15           HG2      PRO  15  -2.927  10.324  -3.514
  110    HG3  PRO  15           HG1      PRO  15  -2.079   9.816  -4.986
  111    HD2  PRO  15           HD2      PRO  15  -1.088   9.895  -2.160
  112    HD3  PRO  15           HD1      PRO  15  -0.849   8.650  -3.405
  113    H    GLY  16           HN       GLY  16   1.092  13.831  -5.077
  114    HA2  GLY  16           HA2      GLY  16   1.531  15.892  -4.079
  115    HA3  GLY  16           HA1      GLY  16   0.965  15.247  -2.548
  116    H    THR  17           HN       THR  17   2.640  12.986  -2.386
  117    HA   THR  17           HA       THR  17   5.150  14.310  -1.707
  118    HB   THR  17           HB       THR  17   5.586  12.082  -0.536
  119    HG1  THR  17           HG1      THR  17   3.814  11.070  -1.827
  120   HG21  THR  17          HG21      THR  17   3.613  14.116   0.226
  121   HG22  THR  17          HG22      THR  17   5.018  13.503   1.098
  122   HG23  THR  17          HG23      THR  17   3.511  12.586   1.098
  123    H    HIS  18           HN       HIS  18   7.175  13.089  -2.040
  124    HA   HIS  18           HA       HIS  18   7.287  12.074  -4.772
  125    HB2  HIS  18           HB2      HIS  18   9.765  12.225  -4.415
  126    HB3  HIS  18           HB1      HIS  18   8.922  13.758  -4.206
  127    HD1  HIS  18           HD1      HIS  18  10.922  11.223  -2.333
  128    HD2  HIS  18           HD2      HIS  18   8.804  14.713  -1.572
  129    HE1  HIS  18           HE1      HIS  18  11.560  11.946   0.005
  130    H    VAL  19           HN       VAL  19   6.285  10.596  -2.290
  131    HA   VAL  19           HA       VAL  19   8.127   8.323  -2.270
  132    HB   VAL  19           HB       VAL  19   7.576   9.133  -0.080
  133   HG11  VAL  19          HG11      VAL  19   5.022   9.621  -1.230
  134   HG12  VAL  19          HG12      VAL  19   5.653  10.143   0.331
  135   HG13  VAL  19          HG13      VAL  19   4.813   8.598   0.191
  136   HG21  VAL  19          HG21      VAL  19   6.022   6.610  -0.647
  137   HG22  VAL  19          HG22      VAL  19   6.569   7.149   0.939
  138   HG23  VAL  19          HG23      VAL  19   7.748   6.710  -0.297
  139    H    CYS  20           HN       CYS  20   7.306   6.172  -2.492
  140    HA   CYS  20           HA       CYS  20   4.742   5.992  -3.922
  141    HB2  CYS  20           HB2      CYS  20   6.144   3.914  -4.996
  142    HB3  CYS  20           HB1      CYS  20   5.971   5.496  -5.749
  143    H    VAL  21           HN       VAL  21   3.367   4.864  -2.756
  144    HA   VAL  21           HA       VAL  21   4.358   2.846  -0.897
  145    HB   VAL  21           HB       VAL  21   2.729   4.626  -0.177
  146   HG11  VAL  21          HG11      VAL  21   0.470   3.047  -1.218
  147   HG12  VAL  21          HG12      VAL  21   1.339   4.028  -2.398
  148   HG13  VAL  21          HG13      VAL  21   0.626   4.786  -0.975
  149   HG21  VAL  21          HG21      VAL  21   2.755   1.809   0.395
  150   HG22  VAL  21          HG22      VAL  21   1.153   2.489   0.671
  151   HG23  VAL  21          HG23      VAL  21   2.557   3.174   1.490
  152    HA   PRO  22           HA       PRO  22   3.358  -0.452  -3.717
  153    HB2  PRO  22           HB2      PRO  22   3.209  -2.091  -1.261
  154    HB3  PRO  22           HB1      PRO  22   4.218  -2.289  -2.696
  155    HG2  PRO  22           HG2      PRO  22   5.256  -1.434  -0.386
  156    HG3  PRO  22           HG1      PRO  22   5.817  -0.802  -1.942
  157    HD2  PRO  22           HD2      PRO  22   3.975   0.437   0.054
  158    HD3  PRO  22           HD1      PRO  22   5.256   1.191  -0.916
  159    H    GLU  23           HN       GLU  23   1.708  -2.151  -3.996
  160    HA   GLU  23           HA       GLU  23  -0.887  -1.147  -3.594
  161    HB2  GLU  23           HB2      GLU  23   0.232  -3.058  -5.204
  162    HB3  GLU  23           HB1      GLU  23  -0.713  -4.036  -4.090
  163    HG2  GLU  23           HG2      GLU  23  -2.630  -2.410  -4.628
  164    HG3  GLU  23           HG1      GLU  23  -1.643  -1.943  -6.013
  165    H    ARG  24           HN       ARG  24   0.857  -3.795  -1.969
  166    HA   ARG  24           HA       ARG  24  -1.225  -4.677  -0.347
  167    HB2  ARG  24           HB2      ARG  24   0.547  -6.114  -0.218
  168    HB3  ARG  24           HB1      ARG  24   1.738  -4.831  -0.250
  169    HG2  ARG  24           HG2      ARG  24   1.931  -5.839   1.859
  170    HG3  ARG  24           HG1      ARG  24   1.074  -4.327   2.141
  171    HD2  ARG  24           HD2      ARG  24  -0.938  -5.392   2.540
  172    HD3  ARG  24           HD1      ARG  24  -0.462  -6.839   1.655
  173    HE   ARG  24           HE       ARG  24   1.246  -6.763   3.772
  174   HH11  ARG  24          HH11      ARG  24  -2.227  -6.710   3.441
  175   HH12  ARG  24          HH12      ARG  24  -2.509  -7.494   4.959
  176   HH21  ARG  24          HH21      ARG  24   0.879  -7.794   5.768
  177   HH22  ARG  24          HH22      ARG  24  -0.745  -8.109   6.281
  178    H    TRP  25           HN       TRP  25   0.564  -1.751  -0.223
  179    HA   TRP  25           HA       TRP  25  -0.175  -1.218   2.545
  180    HB2  TRP  25           HB2      TRP  25   1.391   0.447   0.570
  181    HB3  TRP  25           HB1      TRP  25   1.169   0.829   2.274
  182    HD1  TRP  25           HD1      TRP  25   1.916  -2.789   1.375
  183    HE1  TRP  25           HE1      TRP  25   4.294  -3.376   2.145
  184    HE3  TRP  25           HE3      TRP  25   3.535   1.893   2.653
  185    HZ2  TRP  25           HZ2      TRP  25   6.561  -2.042   3.149
  186    HZ3  TRP  25           HZ3      TRP  25   5.830   2.144   3.508
  187    HH2  TRP  25           HH2      TRP  25   7.308   0.218   3.752
  188    H    LEU  26           HN       LEU  26  -1.889  -1.156  -0.161
  189    HA   LEU  26           HA       LEU  26  -2.923   1.528  -0.070
  190    HB2  LEU  26           HB2      LEU  26  -3.340  -0.876  -1.726
  191    HB3  LEU  26           HB1      LEU  26  -4.726   0.176  -1.561
  192    HG   LEU  26           HG       LEU  26  -3.676   1.953  -2.655
  193   HD11  LEU  26          HD11      LEU  26  -1.449   1.445  -1.311
  194   HD12  LEU  26          HD12      LEU  26  -1.444   2.393  -2.794
  195   HD13  LEU  26          HD13      LEU  26  -0.995   0.689  -2.836
  196   HD21  LEU  26          HD21      LEU  26  -4.169   0.651  -4.435
  197   HD22  LEU  26          HD22      LEU  26  -3.223  -0.713  -3.837
  198   HD23  LEU  26          HD23      LEU  26  -2.414   0.648  -4.614
  199    H    CYS  27           HN       CYS  27  -4.481  -1.650   0.388
  200    HA   CYS  27           HA       CYS  27  -6.368  -0.332   2.227
  201    HB2  CYS  27           HB2      CYS  27  -6.793  -2.993   0.876
  202    HB3  CYS  27           HB1      CYS  27  -7.995  -1.961   1.645
  203    H    ASP  28           HN       ASP  28  -3.949  -0.944   3.332
  204    HA   ASP  28           HA       ASP  28  -4.038  -3.555   4.549
  205    HB2  ASP  28           HB2      ASP  28  -1.978  -2.966   5.616
  206    HB3  ASP  28           HB1      ASP  28  -1.901  -2.378   3.960
  207    H    GLY  29           HN       GLY  29  -5.197  -0.392   5.289
  208    HA2  GLY  29           HA2      GLY  29  -6.988  -0.314   6.960
  209    HA3  GLY  29           HA1      GLY  29  -5.996  -1.358   7.962
  210    H    ASP  30           HN       ASP  30  -4.507   1.245   6.206
  211    HA   ASP  30           HA       ASP  30  -4.718   3.183   8.306
  212    HB2  ASP  30           HB2      ASP  30  -2.260   1.481   8.071
  213    HB3  ASP  30           HB1      ASP  30  -2.115   3.157   8.591
  214    H    LYS  31           HN       LYS  31  -3.784   5.212   7.732
  215    HA   LYS  31           HA       LYS  31  -3.452   5.495   4.857
  216    HB2  LYS  31           HB2      LYS  31  -3.657   7.548   7.063
  217    HB3  LYS  31           HB1      LYS  31  -3.503   7.942   5.359
  218    HG2  LYS  31           HG2      LYS  31  -5.605   6.824   4.889
  219    HG3  LYS  31           HG1      LYS  31  -5.761   6.381   6.590
  220    HD2  LYS  31           HD2      LYS  31  -6.396   8.461   7.210
  221    HD3  LYS  31           HD1      LYS  31  -5.328   9.245   6.043
  222    HE2  LYS  31           HE2      LYS  31  -7.161   9.690   4.858
  223    HE3  LYS  31           HE1      LYS  31  -7.199   7.973   4.461
  224    HZ1  LYS  31           HZ1      LYS  31  -9.309   8.455   5.297
  225    HZ2  LYS  31           HZ2      LYS  31  -8.709   9.400   6.565
  226    HZ3  LYS  31           HZ3      LYS  31  -8.515   7.720   6.598
  227    H    ASP  32           HN       ASP  32  -1.425   4.723   4.393
  228    HA   ASP  32           HA       ASP  32   0.900   5.528   5.863
  229    HB2  ASP  32           HB2      ASP  32   2.161   4.290   4.218
  230    HB3  ASP  32           HB1      ASP  32   0.746   3.359   4.683
  231    H    CYS  33           HN       CYS  33  -0.631   6.472   2.838
  232    HA   CYS  33           HA       CYS  33   1.415   8.195   1.933
  233    HB2  CYS  33           HB2      CYS  33  -1.500   7.886   1.327
  234    HB3  CYS  33           HB1      CYS  33  -0.660   9.309   0.735
  235    H    ALA  34           HN       ALA  34   0.485  10.649   1.497
  236    HA   ALA  34           HA       ALA  34   0.761  11.904   4.030
  237    HB1  ALA  34           HB1      ALA  34  -0.208  13.433   1.676
  238    HB2  ALA  34           HB2      ALA  34   1.392  12.695   1.597
  239    HB3  ALA  34           HB3      ALA  34   1.017  13.853   2.874
  240    H    ASP  35           HN       ASP  35  -1.975  11.398   1.837
  241    HA   ASP  35           HA       ASP  35  -3.753  12.303   4.004
  242    HB2  ASP  35           HB2      ASP  35  -3.750  13.015   1.109
  243    HB3  ASP  35           HB1      ASP  35  -5.305  12.856   1.921
  244    H    GLY  36           HN       GLY  36  -2.910   9.613   3.556
  245    HA2  GLY  36           HA2      GLY  36  -3.851   7.513   3.526
  246    HA3  GLY  36           HA1      GLY  36  -5.412   8.310   3.630
  247    H    ALA  37           HN       ALA  37  -3.327   9.084   0.980
  248    HA   ALA  37           HA       ALA  37  -5.173   8.506  -1.004
  249    HB1  ALA  37           HB1      ALA  37  -3.131   8.426  -2.521
  250    HB2  ALA  37           HB2      ALA  37  -2.181   8.709  -1.062
  251    HB3  ALA  37           HB3      ALA  37  -3.376   9.898  -1.582
  252    H    ASP  38           HN       ASP  38  -2.683   6.484   0.429
  253    HA   ASP  38           HA       ASP  38  -2.760   4.302  -1.301
  254    HB2  ASP  38           HB2      ASP  38  -2.056   2.998   0.786
  255    HB3  ASP  38           HB1      ASP  38  -1.032   4.351   0.319
  256    H    GLU  39           HN       GLU  39  -4.714   5.041   1.556
  257    HA   GLU  39           HA       GLU  39  -6.314   2.656   1.234
  258    HB2  GLU  39           HB2      GLU  39  -6.879   4.978   3.067
  259    HB3  GLU  39           HB1      GLU  39  -7.464   3.328   3.212
  260    HG2  GLU  39           HG2      GLU  39  -4.544   3.984   3.353
  261    HG3  GLU  39           HG1      GLU  39  -5.590   4.061   4.768
  262    H    SER  40           HN       SER  40  -6.263   5.719  -0.127
  263    HA   SER  40           HA       SER  40  -9.108   6.024  -0.487
  264    HB2  SER  40           HB2      SER  40  -6.837   7.501  -1.834
  265    HB3  SER  40           HB1      SER  40  -8.532   7.985  -1.808
  266    HG   SER  40           HG       SER  40  -7.370   9.107  -0.226
  267    H    ILE  41           HN       ILE  41  -9.756   6.550  -2.882
  268    HA   ILE  41           HA       ILE  41  -9.442   4.083  -4.313
  269    HB   ILE  41           HB       ILE  41 -11.581   5.373  -4.178
  270   HG12  ILE  41          HG12      ILE  41 -11.962   5.146  -6.766
  271   HG13  ILE  41          HG11      ILE  41 -10.349   4.448  -6.737
  272   HG21  ILE  41          HG21      ILE  41 -10.567   7.603  -4.536
  273   HG22  ILE  41          HG22      ILE  41 -11.933   7.276  -5.604
  274   HG23  ILE  41          HG23      ILE  41 -10.284   7.165  -6.221
  275   HD11  ILE  41          HD11      ILE  41 -12.046   3.326  -4.685
  276   HD12  ILE  41          HD12      ILE  41 -11.106   2.522  -5.943
  277   HD13  ILE  41          HD13      ILE  41 -12.726   3.123  -6.299
  278    H    ALA  42           HN       ALA  42  -8.002   7.212  -4.390
  279    HA   ALA  42           HA       ALA  42  -7.181   7.543  -6.989
  280    HB1  ALA  42           HB1      ALA  42  -5.012   8.145  -5.184
  281    HB2  ALA  42           HB2      ALA  42  -6.558   8.663  -4.512
  282    HB3  ALA  42           HB3      ALA  42  -6.049   9.240  -6.100
  283    H    ALA  43           HN       ALA  43  -6.096   5.221  -4.649
  284    HA   ALA  43           HA       ALA  43  -3.871   4.373  -6.350
  285    HB1  ALA  43           HB1      ALA  43  -3.543   4.694  -3.897
  286    HB2  ALA  43           HB2      ALA  43  -3.113   3.085  -4.481
  287    HB3  ALA  43           HB3      ALA  43  -4.637   3.337  -3.628
  288    H    GLY  44           HN       GLY  44  -7.081   3.483  -5.454
  289    HA2  GLY  44           HA2      GLY  44  -8.287   1.948  -6.881
  290    HA3  GLY  44           HA1      GLY  44  -6.802   1.018  -7.047
  291    H    CYS  45           HN       CYS  45  -8.106   2.346  -4.064
  292    HA   CYS  45           HA       CYS  45  -7.967  -0.250  -2.825
  293    HB2  CYS  45           HB2      CYS  45  -7.349   1.984  -1.739
  294    HB3  CYS  45           HB1      CYS  45  -9.079   2.255  -1.575
  295    H    LEU  46           HN       LEU  46 -10.214   1.023  -4.792
  296    HA   LEU  46           HA       LEU  46 -12.351   0.444  -5.288
  297    HB2  LEU  46           HB2      LEU  46 -12.275  -1.428  -2.932
  298    HB3  LEU  46           HB1      LEU  46 -13.348  -1.497  -4.315
  299    HG   LEU  46           HG       LEU  46 -11.918  -3.121  -4.969
  300   HD11  LEU  46          HD11      LEU  46  -9.990  -0.972  -5.739
  301   HD12  LEU  46          HD12      LEU  46 -11.595  -1.039  -6.468
  302   HD13  LEU  46          HD13      LEU  46 -10.491  -2.404  -6.639
  303   HD21  LEU  46          HD21      LEU  46 -10.536  -2.419  -2.741
  304   HD22  LEU  46          HD22      LEU  46  -9.361  -2.060  -4.007
  305   HD23  LEU  46          HD23      LEU  46 -10.046  -3.680  -3.873
  306    H    TYR  47           HN       TYR  47 -11.480   2.279  -2.873
  307    HA   TYR  47           HA       TYR  47 -13.990   3.422  -2.434
  308    HB2  TYR  47           HB2      TYR  47 -14.499   2.815  -0.157
  309    HB3  TYR  47           HB1      TYR  47 -14.351   1.335  -1.101
  310    HD1  TYR  47           HD2      TYR  47 -12.413  -0.131  -0.808
  311    HD2  TYR  47           HD1      TYR  47 -12.936   3.334   1.594
  312    HE1  TYR  47           HE2      TYR  47 -10.737  -0.985   0.773
  313    HE2  TYR  47           HE1      TYR  47 -11.262   2.494   3.187
  314    HH   TYR  47           HH       TYR  47 -10.054  -0.724   3.056
  315    H    ASN  48           HN       ASN  48 -13.760   4.609  -0.013
  316    HA   ASN  48           HA       ASN  48 -11.275   5.499   0.826
  317    HB2  ASN  48           HB2      ASN  48 -10.935   6.447  -1.372
  318    HB3  ASN  48           HB1      ASN  48 -12.500   7.244  -1.316
  319   HD21  ASN  48          HD21      ASN  48  -9.867   6.999   1.043
  320   HD22  ASN  48          HD22      ASN  48  -9.642   8.702   1.226
  321    H    SER  49           HN       SER  49 -11.442   7.060   2.478
  322    HA   SER  49           HA       SER  49 -12.451   8.286   4.113
  323    HB2  SER  49           HB2      SER  49 -14.904   8.415   2.352
  324    HB3  SER  49           HB1      SER  49 -14.439   9.531   3.637
  325    HG   SER  49           HG       SER  49 -12.743  10.246   2.365
  326    H    THR  50           HN       THR  50 -15.015   8.319   5.102
  327    HA   THR  50           HA       THR  50 -16.493   7.175   6.381
  328    HB   THR  50           HB       THR  50 -17.434   5.179   5.597
  329    HG1  THR  50           HG1      THR  50 -15.165   4.592   4.027
  330   HG21  THR  50          HG21      THR  50 -16.274   6.660   3.266
  331   HG22  THR  50          HG22      THR  50 -17.905   6.751   3.928
  332   HG23  THR  50          HG23      THR  50 -17.379   5.299   3.076
  333    H    GLY  51           HN       GLY  51 -13.990   4.739   5.597
  334    HA2  GLY  51           HA2      GLY  51 -12.364   3.876   7.036
  335    HA3  GLY  51           HA1      GLY  51 -13.090   4.775   8.359
  336    H    SER  52           HN       SER  52 -12.262   1.874   7.923
  337    HA   SER  52           HA       SER  52 -14.210   0.692   9.552
  338    HB2  SER  52           HB2      SER  52 -15.756   0.572   7.800
  339    HB3  SER  52           HB1      SER  52 -14.514   0.219   6.599
  340    HG   SER  52           HG       SER  52 -14.585  -1.839   7.113
  341    H    GLY  53           HN       GLY  53 -11.803   0.127   7.024
  342    HA2  GLY  53           HA2      GLY  53  -9.743  -0.962   8.089
  343    HA3  GLY  53           HA1      GLY  53 -10.870  -2.244   8.505
  344    H    SER  54           HN       SER  54 -12.358  -2.508   6.237
  345    HA   SER  54           HA       SER  54 -10.367  -3.136   4.160
  346    HB2  SER  54           HB2      SER  54 -12.356  -5.017   3.799
  347    HB3  SER  54           HB1      SER  54 -10.806  -5.300   4.589
  348    HG   SER  54           HG       SER  54 -13.185  -5.513   5.656
  349    H    GLY  55           HN       GLY  55 -12.859  -1.174   4.816
  350    HA2  GLY  55           HA2      GLY  55 -14.444  -0.066   3.575
  351    HA3  GLY  55           HA1      GLY  55 -13.304  -0.277   2.256
  352    H    SER  56           HN       SER  56 -13.703  -1.782   0.680
  353    HA   SER  56           HA       SER  56 -16.352  -2.507   0.181
  354    HB2  SER  56           HB2      SER  56 -14.073  -2.473  -1.306
  355    HB3  SER  56           HB1      SER  56 -14.300  -4.208  -1.088
  356    HG   SER  56           HG       SER  56 -16.027  -2.335  -2.298
  357    H    GLY  57           HN       GLY  57 -13.653  -4.735   0.941
  358    HA2  GLY  57           HA2      GLY  57 -14.711  -6.149   2.996
  359    HA3  GLY  57           HA1      GLY  57 -15.517  -6.842   1.598
  360    H    SER 129           HN       SER 129 -14.566  -8.862   1.887
  361    HA   SER 129           HA       SER 129 -11.925  -9.471   2.350
  362    HB2  SER 129           HB2      SER 129 -13.744 -11.006   0.482
  363    HB3  SER 129           HB1      SER 129 -12.364 -11.643   1.378
  364    HG   SER 129           HG       SER 129 -13.488 -11.305   3.288
  365    H    THR 130           HN       THR 130 -13.385  -8.306  -0.585
  366    HA   THR 130           HA       THR 130 -11.487  -9.072  -2.469
  367    HB   THR 130           HB       THR 130 -12.724  -6.350  -2.596
  368    HG1  THR 130           HG1      THR 130 -14.682  -7.332  -3.217
  369   HG21  THR 130          HG21      THR 130 -11.965  -6.589  -4.671
  370   HG22  THR 130          HG22      THR 130 -13.326  -7.688  -4.898
  371   HG23  THR 130          HG23      THR 130 -11.734  -8.328  -4.486
  372    H    GLU 131           HN       GLU 131 -11.453  -6.462  -0.131
  373    HA   GLU 131           HA       GLU 131  -9.313  -4.966  -1.117
  374    HB2  GLU 131           HB2      GLU 131 -10.744  -5.231   1.419
  375    HB3  GLU 131           HB1      GLU 131  -9.060  -4.766   1.620
  376    HG2  GLU 131           HG2      GLU 131 -10.370  -2.788   1.500
  377    HG3  GLU 131           HG1      GLU 131  -9.442  -2.921   0.006
  378    H    GLU 132           HN       GLU 132  -9.150  -7.252   1.613
  379    HA   GLU 132           HA       GLU 132  -6.376  -7.418   1.719
  380    HB2  GLU 132           HB2      GLU 132  -8.163  -9.745   2.388
  381    HB3  GLU 132           HB1      GLU 132  -6.648  -9.278   3.147
  382    HG2  GLU 132           HG2      GLU 132  -8.428  -7.111   3.447
  383    HG3  GLU 132           HG1      GLU 132  -9.312  -8.578   3.866
  384    H    LEU 133           HN       LEU 133  -8.657  -9.008  -0.368
  385    HA   LEU 133           HA       LEU 133  -7.147 -11.162  -1.267
  386    HB2  LEU 133           HB2      LEU 133  -9.466  -9.645  -2.198
  387    HB3  LEU 133           HB1      LEU 133  -8.537 -10.359  -3.504
  388    HG   LEU 133           HG       LEU 133  -8.861 -12.565  -2.640
  389   HD11  LEU 133          HD11      LEU 133  -9.205 -11.220  -0.158
  390   HD12  LEU 133          HD12      LEU 133  -9.049 -12.948  -0.467
  391   HD13  LEU 133          HD13      LEU 133 -10.642 -12.194  -0.470
  392   HD21  LEU 133          HD21      LEU 133 -11.048 -10.827  -3.296
  393   HD22  LEU 133          HD22      LEU 133 -11.585 -12.076  -2.173
  394   HD23  LEU 133          HD23      LEU 133 -10.814 -12.529  -3.693
  395    H    ARG 134           HN       ARG 134  -7.407  -7.919  -2.734
  396    HA   ARG 134           HA       ARG 134  -5.278  -8.459  -4.587
  397    HB2  ARG 134           HB2      ARG 134  -5.614  -6.212  -5.371
  398    HB3  ARG 134           HB1      ARG 134  -7.189  -6.944  -5.099
  399    HG2  ARG 134           HG2      ARG 134  -7.492  -5.716  -3.076
  400    HG3  ARG 134           HG1      ARG 134  -5.830  -5.132  -3.119
  401    HD2  ARG 134           HD2      ARG 134  -8.156  -3.961  -4.262
  402    HD3  ARG 134           HD1      ARG 134  -6.503  -3.353  -4.263
  403    HE   ARG 134           HE       ARG 134  -6.279  -4.043  -6.441
  404   HH11  ARG 134          HH11      ARG 134  -9.161  -5.464  -5.080
  405   HH12  ARG 134          HH12      ARG 134  -9.732  -6.067  -6.599
  406   HH21  ARG 134          HH21      ARG 134  -7.028  -4.835  -8.440
  407   HH22  ARG 134          HH22      ARG 134  -8.521  -5.711  -8.507
  408    H    VAL 135           HN       VAL 135  -5.524  -7.171  -1.400
  409    HA   VAL 135           HA       VAL 135  -3.012  -5.764  -1.468
  410    HB   VAL 135           HB       VAL 135  -4.711  -6.523   0.911
  411   HG11  VAL 135          HG11      VAL 135  -2.163  -5.704   1.026
  412   HG12  VAL 135          HG12      VAL 135  -3.369  -5.278   2.238
  413   HG13  VAL 135          HG13      VAL 135  -2.970  -4.140   0.951
  414   HG21  VAL 135          HG21      VAL 135  -4.762  -3.740   0.093
  415   HG22  VAL 135          HG22      VAL 135  -6.096  -4.840   0.444
  416   HG23  VAL 135          HG23      VAL 135  -5.371  -4.817  -1.164
  417    H    ARG 136           HN       ARG 136  -4.141  -8.938  -0.516
  418    HA   ARG 136           HA       ARG 136  -1.990  -9.730   1.089
  419    HB2  ARG 136           HB2      ARG 136  -4.276 -10.972  -0.122
  420    HB3  ARG 136           HB1      ARG 136  -2.873 -12.005  -0.340
  421    HG2  ARG 136           HG2      ARG 136  -2.946 -12.661   1.770
  422    HG3  ARG 136           HG1      ARG 136  -2.946 -10.993   2.345
  423    HD2  ARG 136           HD2      ARG 136  -5.460 -11.062   1.620
  424    HD3  ARG 136           HD1      ARG 136  -5.247 -12.806   1.765
  425    HE   ARG 136           HE       ARG 136  -4.249 -11.729   4.095
  426   HH11  ARG 136          HH11      ARG 136  -7.318 -11.750   2.435
  427   HH12  ARG 136          HH12      ARG 136  -8.247 -11.623   3.890
  428   HH21  ARG 136          HH21      ARG 136  -5.470 -11.562   6.011
  429   HH22  ARG 136          HH22      ARG 136  -7.199 -11.516   5.920
  430    H    LEU 137           HN       LEU 137  -2.487 -10.226  -2.404
  431    HA   LEU 137           HA       LEU 137  -0.300 -11.693  -3.066
  432    HB2  LEU 137           HB2      LEU 137  -2.150 -10.699  -4.550
  433    HB3  LEU 137           HB1      LEU 137  -1.073  -9.327  -4.735
  434    HG   LEU 137           HG       LEU 137  -0.906 -10.925  -6.605
  435   HD11  LEU 137          HD11      LEU 137   1.090  -9.587  -5.410
  436   HD12  LEU 137          HD12      LEU 137   1.308 -10.565  -6.861
  437   HD13  LEU 137          HD13      LEU 137   1.710 -11.233  -5.278
  438   HD21  LEU 137          HD21      LEU 137  -0.424 -13.132  -6.377
  439   HD22  LEU 137          HD22      LEU 137  -1.229 -12.885  -4.828
  440   HD23  LEU 137          HD23      LEU 137   0.533 -12.887  -4.915
  441    H    ALA 138           HN       ALA 138  -0.318  -8.277  -2.248
  442    HA   ALA 138           HA       ALA 138   2.508  -8.022  -2.928
  443    HB1  ALA 138           HB1      ALA 138   0.315  -6.116  -2.292
  444    HB2  ALA 138           HB2      ALA 138   1.445  -6.131  -3.647
  445    HB3  ALA 138           HB3      ALA 138   1.987  -5.608  -2.054
  446    H    SER 139           HN       SER 139   0.892  -9.164  -0.325
  447    HA   SER 139           HA       SER 139   2.295  -7.795   1.769
  448    HB2  SER 139           HB2      SER 139   0.112  -8.583   2.278
  449    HB3  SER 139           HB1      SER 139   0.500 -10.217   1.743
  450    HG   SER 139           HG       SER 139   1.354 -10.616   3.624
  451    H    HIS 140           HN       HIS 140   3.335 -10.121  -0.387
  452    HA   HIS 140           HA       HIS 140   5.003 -11.485   1.591
  453    HB2  HIS 140           HB2      HIS 140   5.594 -12.368  -1.070
  454    HB3  HIS 140           HB1      HIS 140   4.893 -13.270   0.264
  455    HD1  HIS 140           HD1      HIS 140   2.093 -12.031   0.410
  456    HD2  HIS 140           HD2      HIS 140   4.024 -12.996  -3.139
  457    HE1  HIS 140           HE1      HIS 140   0.282 -12.349  -1.326
  458    H    LEU 141           HN       LEU 141   5.202  -8.846  -0.518
  459    HA   LEU 141           HA       LEU 141   8.140  -8.922  -0.320
  460    HB2  LEU 141           HB2      LEU 141   7.508  -9.338  -2.621
  461    HB3  LEU 141           HB1      LEU 141   6.478  -7.918  -2.626
  462    HG   LEU 141           HG       LEU 141   8.968  -6.923  -1.904
  463   HD11  LEU 141          HD11      LEU 141  10.619  -7.853  -3.197
  464   HD12  LEU 141          HD12      LEU 141   9.476  -8.592  -4.320
  465   HD13  LEU 141          HD13      LEU 141   9.711  -9.288  -2.716
  466   HD21  LEU 141          HD21      LEU 141   7.994  -5.514  -3.340
  467   HD22  LEU 141          HD22      LEU 141   7.138  -6.807  -4.180
  468   HD23  LEU 141          HD23      LEU 141   8.816  -6.448  -4.590
  469    H    ARG 142           HN       ARG 142   5.562  -6.611  -1.181
  470    HA   ARG 142           HA       ARG 142   6.788  -4.269  -0.555
  471    HB2  ARG 142           HB2      ARG 142   3.918  -4.803   0.194
  472    HB3  ARG 142           HB1      ARG 142   4.636  -3.278  -0.303
  473    HG2  ARG 142           HG2      ARG 142   3.978  -5.670  -1.974
  474    HG3  ARG 142           HG1      ARG 142   3.437  -4.007  -2.166
  475    HD2  ARG 142           HD2      ARG 142   5.833  -3.400  -2.646
  476    HD3  ARG 142           HD1      ARG 142   6.181  -5.128  -2.691
  477    HE   ARG 142           HE       ARG 142   4.951  -3.585  -4.739
  478   HH11  ARG 142          HH11      ARG 142   4.996  -6.756  -3.283
  479   HH12  ARG 142          HH12      ARG 142   4.420  -7.555  -4.707
  480   HH21  ARG 142          HH21      ARG 142   4.188  -4.634  -6.609
  481   HH22  ARG 142          HH22      ARG 142   3.962  -6.351  -6.595
  482    H    LYS 143           HN       LYS 143   5.058  -6.356   1.746
  483    HA   LYS 143           HA       LYS 143   5.788  -4.648   3.964
  484    HB2  LYS 143           HB2      LYS 143   3.831  -6.667   3.479
  485    HB3  LYS 143           HB1      LYS 143   4.778  -7.142   4.883
  486    HG2  LYS 143           HG2      LYS 143   2.794  -5.840   5.489
  487    HG3  LYS 143           HG1      LYS 143   4.291  -5.038   5.967
  488    HD2  LYS 143           HD2      LYS 143   4.128  -3.462   4.233
  489    HD3  LYS 143           HD1      LYS 143   2.911  -4.408   3.375
  490    HE2  LYS 143           HE2      LYS 143   1.812  -2.549   4.404
  491    HE3  LYS 143           HE1      LYS 143   1.359  -4.008   5.287
  492    HZ1  LYS 143           HZ1      LYS 143   3.241  -3.394   6.852
  493    HZ2  LYS 143           HZ2      LYS 143   1.849  -2.436   6.920
  494    HZ3  LYS 143           HZ3      LYS 143   3.226  -1.871   6.117
  495    H    LEU 144           HN       LEU 144   6.938  -7.558   2.448
  496    HA   LEU 144           HA       LEU 144   8.678  -8.231   4.672
  497    HB2  LEU 144           HB2      LEU 144   7.852  -9.505   2.141
  498    HB3  LEU 144           HB1      LEU 144   9.498  -9.841   2.646
  499    HG   LEU 144           HG       LEU 144   8.459 -10.489   4.916
  500   HD11  LEU 144          HD11      LEU 144   6.225  -9.493   4.260
  501   HD12  LEU 144          HD12      LEU 144   6.188 -11.110   4.962
  502   HD13  LEU 144          HD13      LEU 144   6.013 -10.901   3.220
  503   HD21  LEU 144          HD21      LEU 144   8.644 -12.645   4.278
  504   HD22  LEU 144          HD22      LEU 144   9.252 -11.928   2.786
  505   HD23  LEU 144          HD23      LEU 144   7.568 -12.442   2.896
  506    H    ARG 145           HN       ARG 145   9.520  -8.101   1.230
  507    HA   ARG 145           HA       ARG 145  12.160  -7.202   1.751
  508    HB2  ARG 145           HB2      ARG 145  11.628  -8.525  -0.230
  509    HB3  ARG 145           HB1      ARG 145  10.572  -7.251  -0.823
  510    HG2  ARG 145           HG2      ARG 145  12.330  -6.553  -1.991
  511    HG3  ARG 145           HG1      ARG 145  12.954  -5.938  -0.461
  512    HD2  ARG 145           HD2      ARG 145  13.948  -8.276  -0.143
  513    HD3  ARG 145           HD1      ARG 145  13.614  -8.512  -1.859
  514    HE   ARG 145           HE       ARG 145  15.742  -7.001  -0.727
  515   HH11  ARG 145          HH11      ARG 145  13.556  -7.117  -3.445
  516   HH12  ARG 145          HH12      ARG 145  14.626  -6.259  -4.502
  517   HH21  ARG 145          HH21      ARG 145  17.152  -5.874  -2.117
  518   HH22  ARG 145          HH22      ARG 145  16.668  -5.555  -3.749
  519    H    LYS 146           HN       LYS 146  11.910  -5.303   2.998
  520    HA   LYS 146           HA       LYS 146  10.559  -3.017   1.846
  521    HB2  LYS 146           HB2      LYS 146  10.628  -3.599   4.328
  522    HB3  LYS 146           HB1      LYS 146  12.290  -3.028   4.310
  523    HG2  LYS 146           HG2      LYS 146  11.042  -0.935   3.150
  524    HG3  LYS 146           HG1      LYS 146   9.771  -1.522   4.224
  525    HD2  LYS 146           HD2      LYS 146  11.113  -1.236   6.139
  526    HD3  LYS 146           HD1      LYS 146  12.584  -1.065   5.179
  527    HE2  LYS 146           HE2      LYS 146  11.962   1.102   5.973
  528    HE3  LYS 146           HE1      LYS 146  11.644   1.042   4.240
  529    HZ1  LYS 146           HZ1      LYS 146   9.422   0.282   5.939
  530    HZ2  LYS 146           HZ2      LYS 146   9.444   1.250   4.552
  531    HZ3  LYS 146           HZ3      LYS 146   9.885   1.906   6.047
  532    H    ARG 147           HN       ARG 147  11.638  -2.315   0.060
  533    HA   ARG 147           HA       ARG 147  13.201  -1.217  -1.170
  534    HB2  ARG 147           HB2      ARG 147  13.205   0.420   0.612
  535    HB3  ARG 147           HB1      ARG 147  14.306  -0.563   1.566
  536    HG2  ARG 147           HG2      ARG 147  16.129  -0.009   0.291
  537    HG3  ARG 147           HG1      ARG 147  15.158   0.335  -1.142
  538    HD2  ARG 147           HD2      ARG 147  14.805   2.475  -0.543
  539    HD3  ARG 147           HD1      ARG 147  14.618   2.072   1.163
  540    HE   ARG 147           HE       ARG 147  16.798   2.651   1.470
  541   HH11  ARG 147          HH11      ARG 147  16.343   1.896  -1.907
  542   HH12  ARG 147          HH12      ARG 147  17.952   2.353  -2.354
  543   HH21  ARG 147          HH21      ARG 147  18.914   3.254   0.882
  544   HH22  ARG 147          HH22      ARG 147  19.412   3.123  -0.772
  545    H    LEU 148           HN       LEU 148  15.357  -2.210   1.469
  546    HA   LEU 148           HA       LEU 148  16.897  -3.763  -0.494
  547    HB2  LEU 148           HB2      LEU 148  17.663  -1.823   1.401
  548    HB3  LEU 148           HB1      LEU 148  18.282  -3.353   1.991
  549    HG   LEU 148           HG       LEU 148  19.474  -3.710  -0.112
  550   HD11  LEU 148          HD11      LEU 148  19.556  -1.418  -1.499
  551   HD12  LEU 148          HD12      LEU 148  17.888  -1.359  -0.929
  552   HD13  LEU 148          HD13      LEU 148  18.449  -2.738  -1.874
  553   HD21  LEU 148          HD21      LEU 148  21.231  -2.430   0.498
  554   HD22  LEU 148          HD22      LEU 148  20.207  -2.073   1.889
  555   HD23  LEU 148          HD23      LEU 148  20.278  -0.946   0.534
  556    H    LEU 149           HN       LEU 149  16.172  -3.826   3.001
  557    HA   LEU 149           HA       LEU 149  16.841  -6.491   3.441
  558    HB2  LEU 149           HB2      LEU 149  14.620  -5.093   4.900
  559    HB3  LEU 149           HB1      LEU 149  15.734  -6.300   5.515
  560    HG   LEU 149           HG       LEU 149  17.408  -4.232   4.764
  561   HD11  LEU 149          HD11      LEU 149  15.967  -2.496   4.474
  562   HD12  LEU 149          HD12      LEU 149  16.195  -2.383   6.219
  563   HD13  LEU 149          HD13      LEU 149  14.758  -3.170   5.567
  564   HD21  LEU 149          HD21      LEU 149  17.635  -5.578   6.763
  565   HD22  LEU 149          HD22      LEU 149  16.196  -4.832   7.458
  566   HD23  LEU 149          HD23      LEU 149  17.646  -3.866   7.184
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1   5.461  12.519   7.431
    2    H2   GLY   1           HT2      GLY   1   5.968  13.978   6.742
    3    H3   GLY   1           HT3      GLY   1   6.674  12.521   6.251
    4    HA2  GLY   1           HA1      GLY   1   3.940  13.509   5.701
    5    HA3  GLY   1           HA2      GLY   1   5.190  13.091   4.539
    6    H    SER   2           HN       SER   2   5.909  10.666   6.120
    7    HA   SER   2           HA       SER   2   3.702   8.950   6.359
    8    HB2  SER   2           HB2      SER   2   4.212   7.550   4.271
    9    HB3  SER   2           HB1      SER   2   3.337   9.061   4.023
   10    HG   SER   2           HG       SER   2   5.018   9.886   3.018
   11    H    LYS   2           HN       LYS   2   4.332   6.695   6.661
   12    HA   LYS   2           HA       LYS   2   7.077   6.515   7.665
   13    HB2  LYS   2           HB2      LYS   2   5.025   4.386   8.122
   14    HB3  LYS   2           HB1      LYS   2   6.356   4.886   9.154
   15    HG2  LYS   2           HG2      LYS   2   4.723   5.840  10.358
   16    HG3  LYS   2           HG1      LYS   2   4.867   7.134   9.167
   17    HD2  LYS   2           HD2      LYS   2   3.157   5.457   7.899
   18    HD3  LYS   2           HD1      LYS   2   2.715   5.171   9.583
   19    HE2  LYS   2           HE2      LYS   2   3.060   7.988   8.736
   20    HE3  LYS   2           HE1      LYS   2   1.649   7.132   8.115
   21    HZ1  LYS   2           HZ1      LYS   2   1.468   6.464  10.651
   22    HZ2  LYS   2           HZ2      LYS   2   0.792   7.894  10.051
   23    HZ3  LYS   2           HZ3      LYS   2   2.283   7.934  10.848
   24    H    LEU   2           HN       LEU   2   6.650   6.398   4.860
   25    HA   LEU   2           HA       LEU   2   6.855   3.598   4.118
   26    HB2  LEU   2           HB2      LEU   2   6.464   6.163   2.702
   27    HB3  LEU   2           HB1      LEU   2   7.353   4.934   1.822
   28    HG   LEU   2           HG       LEU   2   5.517   3.441   1.835
   29   HD11  LEU   2          HD11      LEU   2   3.972   5.300   3.622
   30   HD12  LEU   2          HD12      LEU   2   4.901   3.932   4.234
   31   HD13  LEU   2          HD13      LEU   2   3.556   3.660   3.129
   32   HD21  LEU   2          HD21      LEU   2   3.586   5.121   1.134
   33   HD22  LEU   2          HD22      LEU   2   4.999   4.839   0.117
   34   HD23  LEU   2          HD23      LEU   2   4.927   6.265   1.151
   35    H    GLU   3           HN       GLU   3   8.902   6.441   4.393
   36    HA   GLU   3           HA       GLU   3  11.156   6.714   4.355
   37    HB2  GLU   3           HB2      GLU   3  11.324   5.072   6.048
   38    HB3  GLU   3           HB1      GLU   3  10.982   3.769   4.924
   39    HG2  GLU   3           HG2      GLU   3  13.123   3.539   4.367
   40    HG3  GLU   3           HG1      GLU   3  13.362   5.279   4.214
   41    H    GLY   4           HN       GLY   4  11.242   3.482   2.920
   42    HA2  GLY   4           HA2      GLY   4  11.795   4.668   0.292
   43    HA3  GLY   4           HA1      GLY   4  12.992   3.593   1.000
   44    H    LYS   5           HN       LYS   5  10.126   3.811  -0.815
   45    HA   LYS   5           HA       LYS   5   9.812   0.882  -0.704
   46    HB2  LYS   5           HB2      LYS   5   7.770   3.067  -0.983
   47    HB3  LYS   5           HB1      LYS   5   7.432   1.437  -1.549
   48    HG2  LYS   5           HG2      LYS   5   8.272   2.096   1.263
   49    HG3  LYS   5           HG1      LYS   5   6.595   1.937   0.740
   50    HD2  LYS   5           HD2      LYS   5   6.747  -0.250   1.120
   51    HD3  LYS   5           HD1      LYS   5   7.907  -0.353  -0.205
   52    HE2  LYS   5           HE2      LYS   5   9.742   0.002   1.315
   53    HE3  LYS   5           HE1      LYS   5   8.629   0.282   2.653
   54    HZ1  LYS   5           HZ1      LYS   5   7.818  -2.104   1.962
   55    HZ2  LYS   5           HZ2      LYS   5   9.132  -1.891   3.004
   56    HZ3  LYS   5           HZ3      LYS   5   9.398  -2.230   1.368
   57    H    THR   6           HN       THR   6   8.611   0.095  -2.759
   58    HA   THR   6           HA       THR   6  10.092   1.159  -5.059
   59    HB   THR   6           HB       THR   6  10.604  -1.120  -4.812
   60    HG1  THR   6           HG1      THR   6   8.410  -1.167  -6.599
   61   HG21  THR   6          HG21      THR   6   7.684  -1.601  -4.310
   62   HG22  THR   6          HG22      THR   6   9.033  -1.872  -3.207
   63   HG23  THR   6          HG23      THR   6   8.847  -2.885  -4.639
   64    H    CYS   7           HN       CYS   7   9.051   1.567  -7.030
   65    HA   CYS   7           HA       CYS   7   6.112   1.684  -6.896
   66    HB2  CYS   7           HB2      CYS   7   7.153   3.741  -8.629
   67    HB3  CYS   7           HB1      CYS   7   6.097   3.897  -7.233
   68    H    GLY   8           HN       GLY   8   6.005  -0.277  -8.069
   69    HA2  GLY   8           HA2      GLY   8   5.884   0.059 -10.884
   70    HA3  GLY   8           HA1      GLY   8   7.309  -0.872 -10.449
   71    HA   PRO   9           HA       PRO   9   4.863  -4.540 -10.418
   72    HB2  PRO   9           HB2      PRO   9   6.322  -5.508  -8.055
   73    HB3  PRO   9           HB1      PRO   9   6.289  -6.157  -9.695
   74    HG2  PRO   9           HG2      PRO   9   8.462  -4.927  -8.708
   75    HG3  PRO   9           HG1      PRO   9   8.002  -4.792 -10.416
   76    HD2  PRO   9           HD2      PRO   9   7.595  -2.836  -8.183
   77    HD3  PRO   9           HD1      PRO   9   8.097  -2.542  -9.862
   78    H    SER  10           HN       SER  10   2.882  -3.597  -9.727
   79    HA   SER  10           HA       SER  10   1.050  -3.444  -8.385
   80    HB2  SER  10           HB2      SER  10   2.566  -5.290  -6.524
   81    HB3  SER  10           HB1      SER  10   0.829  -4.984  -6.511
   82    HG   SER  10           HG       SER  10   0.671  -5.982  -8.514
   83    H    SER  11           HN       SER  11   2.327  -1.245  -8.246
   84    HA   SER  11           HA       SER  11   2.354  -0.541  -5.408
   85    HB2  SER  11           HB2      SER  11   4.431   0.591  -7.269
   86    HB3  SER  11           HB1      SER  11   4.403   0.621  -5.506
   87    HG   SER  11           HG       SER  11   4.709  -1.700  -7.114
   88    H    PHE  12           HN       PHE  12   1.974   1.681  -4.968
   89    HA   PHE  12           HA       PHE  12   0.830   3.207  -7.208
   90    HB2  PHE  12           HB2      PHE  12  -1.084   2.379  -6.086
   91    HB3  PHE  12           HB1      PHE  12  -0.374   2.653  -4.500
   92    HD1  PHE  12           HD1      PHE  12  -1.742   4.378  -7.478
   93    HD2  PHE  12           HD2      PHE  12  -0.721   4.661  -3.357
   94    HE1  PHE  12           HE1      PHE  12  -2.877   6.557  -7.350
   95    HE2  PHE  12           HE2      PHE  12  -1.855   6.840  -3.220
   96    HZ   PHE  12           HZ       PHE  12  -2.936   7.791  -5.219
   97    H    SER  13           HN       SER  13   1.617   5.227  -7.360
   98    HA   SER  13           HA       SER  13   3.552   6.148  -5.479
   99    HB2  SER  13           HB2      SER  13   2.969   6.695  -8.137
  100    HB3  SER  13           HB1      SER  13   2.574   8.195  -7.301
  101    HG   SER  13           HG       SER  13   4.623   8.543  -7.062
  102    H    CYS  14           HN       CYS  14   3.371   7.601  -3.848
  103    HA   CYS  14           HA       CYS  14   0.772   8.198  -2.857
  104    HB2  CYS  14           HB2      CYS  14   3.563   8.699  -1.964
  105    HB3  CYS  14           HB1      CYS  14   2.305   9.718  -1.284
  106    HA   PRO  15           HA       PRO  15   0.116  11.802  -5.458
  107    HB2  PRO  15           HB2      PRO  15  -2.005  12.215  -3.414
  108    HB3  PRO  15           HB1      PRO  15  -2.123  12.223  -5.174
  109    HG2  PRO  15           HG2      PRO  15  -3.013  10.151  -3.764
  110    HG3  PRO  15           HG1      PRO  15  -2.188   9.913  -5.316
  111    HD2  PRO  15           HD2      PRO  15  -1.162   9.503  -2.545
  112    HD3  PRO  15           HD1      PRO  15  -0.831   8.575  -4.018
  113    H    GLY  16           HN       GLY  16   1.205  13.650  -5.299
  114    HA2  GLY  16           HA2      GLY  16   1.687  15.758  -4.389
  115    HA3  GLY  16           HA1      GLY  16   1.061  15.212  -2.843
  116    H    THR  17           HN       THR  17   2.757  12.733  -3.043
  117    HA   THR  17           HA       THR  17   5.329  13.998  -2.361
  118    HB   THR  17           HB       THR  17   5.620  12.043  -0.788
  119    HG1  THR  17           HG1      THR  17   3.682  10.982  -0.194
  120   HG21  THR  17          HG21      THR  17   3.383  13.019   0.554
  121   HG22  THR  17          HG22      THR  17   3.977  14.363  -0.422
  122   HG23  THR  17          HG23      THR  17   5.055  13.556   0.717
  123    H    HIS  18           HN       HIS  18   7.153  13.188  -3.224
  124    HA   HIS  18           HA       HIS  18   7.133  11.683  -5.548
  125    HB2  HIS  18           HB2      HIS  18   9.537  11.535  -5.315
  126    HB3  HIS  18           HB1      HIS  18   9.014  13.121  -4.757
  127    HD1  HIS  18           HD1      HIS  18   9.615  13.745  -2.363
  128    HD2  HIS  18           HD2      HIS  18  10.231   9.725  -3.208
  129    HE1  HIS  18           HE1      HIS  18  10.806  12.769  -0.355
  130    H    VAL  19           HN       VAL  19   7.096  10.657  -2.248
  131    HA   VAL  19           HA       VAL  19   8.102   8.073  -2.428
  132    HB   VAL  19           HB       VAL  19   7.590   9.158  -0.301
  133   HG11  VAL  19          HG11      VAL  19   4.748   8.567  -0.244
  134   HG12  VAL  19          HG12      VAL  19   5.163   9.771  -1.464
  135   HG13  VAL  19          HG13      VAL  19   5.610  10.034   0.221
  136   HG21  VAL  19          HG21      VAL  19   6.823   7.251   0.870
  137   HG22  VAL  19          HG22      VAL  19   7.668   6.644  -0.555
  138   HG23  VAL  19          HG23      VAL  19   5.905   6.677  -0.523
  139    H    CYS  20           HN       CYS  20   7.085   6.035  -2.630
  140    HA   CYS  20           HA       CYS  20   4.444   6.067  -3.908
  141    HB2  CYS  20           HB2      CYS  20   6.113   3.919  -4.924
  142    HB3  CYS  20           HB1      CYS  20   5.148   5.093  -5.800
  143    H    VAL  21           HN       VAL  21   3.055   4.895  -2.822
  144    HA   VAL  21           HA       VAL  21   4.014   2.899  -0.936
  145    HB   VAL  21           HB       VAL  21   2.316   4.636  -0.296
  146   HG11  VAL  21          HG11      VAL  21   0.327   4.839  -1.285
  147   HG12  VAL  21          HG12      VAL  21   0.078   3.095  -1.354
  148   HG13  VAL  21          HG13      VAL  21   1.035   3.901  -2.595
  149   HG21  VAL  21          HG21      VAL  21   2.600   2.035   0.524
  150   HG22  VAL  21          HG22      VAL  21   0.864   2.172   0.240
  151   HG23  VAL  21          HG23      VAL  21   1.666   3.281   1.351
  152    HA   PRO  22           HA       PRO  22   3.226  -0.400  -3.821
  153    HB2  PRO  22           HB2      PRO  22   3.158  -2.085  -1.393
  154    HB3  PRO  22           HB1      PRO  22   4.190  -2.201  -2.823
  155    HG2  PRO  22           HG2      PRO  22   5.168  -1.322  -0.501
  156    HG3  PRO  22           HG1      PRO  22   5.684  -0.615  -2.040
  157    HD2  PRO  22           HD2      PRO  22   3.735   0.443  -0.030
  158    HD3  PRO  22           HD1      PRO  22   4.989   1.305  -0.947
  159    H    GLU  23           HN       GLU  23   1.599  -2.010  -4.279
  160    HA   GLU  23           HA       GLU  23  -1.007  -1.151  -3.795
  161    HB2  GLU  23           HB2      GLU  23   0.141  -2.949  -5.491
  162    HB3  GLU  23           HB1      GLU  23  -0.730  -4.019  -4.402
  163    HG2  GLU  23           HG2      GLU  23  -2.790  -2.757  -4.849
  164    HG3  GLU  23           HG1      GLU  23  -1.900  -1.739  -5.981
  165    H    ARG  24           HN       ARG  24   0.848  -3.738  -2.207
  166    HA   ARG  24           HA       ARG  24  -1.244  -4.711  -0.618
  167    HB2  ARG  24           HB2      ARG  24   0.581  -6.117  -0.602
  168    HB3  ARG  24           HB1      ARG  24   1.734  -4.807  -0.450
  169    HG2  ARG  24           HG2      ARG  24   1.764  -6.081   1.562
  170    HG3  ARG  24           HG1      ARG  24   1.012  -4.527   1.915
  171    HD2  ARG  24           HD2      ARG  24  -1.073  -5.448   2.194
  172    HD3  ARG  24           HD1      ARG  24  -0.723  -6.820   1.146
  173    HE   ARG  24           HE       ARG  24   0.909  -7.278   3.218
  174   HH11  ARG  24          HH11      ARG  24  -2.483  -6.460   3.086
  175   HH12  ARG  24          HH12      ARG  24  -2.870  -7.309   4.544
  176   HH21  ARG  24          HH21      ARG  24   0.399  -8.391   5.136
  177   HH22  ARG  24          HH22      ARG  24  -1.236  -8.404   5.709
  178    H    TRP  25           HN       TRP  25   0.565  -1.802  -0.451
  179    HA   TRP  25           HA       TRP  25  -0.185  -1.292   2.320
  180    HB2  TRP  25           HB2      TRP  25   1.481   0.293   0.360
  181    HB3  TRP  25           HB1      TRP  25   1.165   0.784   2.022
  182    HD1  TRP  25           HD1      TRP  25   1.891  -2.892   1.365
  183    HE1  TRP  25           HE1      TRP  25   4.203  -3.472   2.332
  184    HE3  TRP  25           HE3      TRP  25   3.488   1.819   2.513
  185    HZ2  TRP  25           HZ2      TRP  25   6.417  -2.108   3.433
  186    HZ3  TRP  25           HZ3      TRP  25   5.713   2.100   3.520
  187    HH2  TRP  25           HH2      TRP  25   7.147   0.176   3.974
  188    H    LEU  26           HN       LEU  26  -1.982  -1.266  -0.249
  189    HA   LEU  26           HA       LEU  26  -2.923   1.458  -0.279
  190    HB2  LEU  26           HB2      LEU  26  -3.460  -1.009  -1.787
  191    HB3  LEU  26           HB1      LEU  26  -4.839   0.047  -1.590
  192    HG   LEU  26           HG       LEU  26  -3.810   1.805  -2.774
  193   HD11  LEU  26          HD11      LEU  26  -1.658   2.180  -2.290
  194   HD12  LEU  26          HD12      LEU  26  -1.316   1.069  -3.617
  195   HD13  LEU  26          HD13      LEU  26  -1.340   0.478  -1.956
  196   HD21  LEU  26          HD21      LEU  26  -3.616  -0.899  -3.937
  197   HD22  LEU  26          HD22      LEU  26  -2.781   0.389  -4.805
  198   HD23  LEU  26          HD23      LEU  26  -4.512   0.516  -4.490
  199    H    CYS  27           HN       CYS  27  -4.550  -1.637   0.411
  200    HA   CYS  27           HA       CYS  27  -6.256  -0.192   2.331
  201    HB2  CYS  27           HB2      CYS  27  -6.978  -2.821   1.060
  202    HB3  CYS  27           HB1      CYS  27  -8.038  -1.646   1.828
  203    H    ASP  28           HN       ASP  28  -3.768  -1.062   3.206
  204    HA   ASP  28           HA       ASP  28  -3.942  -3.646   4.410
  205    HB2  ASP  28           HB2      ASP  28  -1.853  -3.132   5.464
  206    HB3  ASP  28           HB1      ASP  28  -1.790  -2.495   3.826
  207    H    GLY  29           HN       GLY  29  -5.069  -0.509   5.243
  208    HA2  GLY  29           HA2      GLY  29  -6.821  -0.452   6.948
  209    HA3  GLY  29           HA1      GLY  29  -5.816  -1.521   7.909
  210    H    ASP  30           HN       ASP  30  -4.321   1.085   6.184
  211    HA   ASP  30           HA       ASP  30  -4.496   3.011   8.290
  212    HB2  ASP  30           HB2      ASP  30  -2.096   1.232   8.094
  213    HB3  ASP  30           HB1      ASP  30  -1.882   2.913   8.574
  214    H    LYS  31           HN       LYS  31  -3.733   5.030   7.657
  215    HA   LYS  31           HA       LYS  31  -3.350   5.350   4.826
  216    HB2  LYS  31           HB2      LYS  31  -3.341   7.361   7.079
  217    HB3  LYS  31           HB1      LYS  31  -3.250   7.778   5.376
  218    HG2  LYS  31           HG2      LYS  31  -5.432   6.746   5.005
  219    HG3  LYS  31           HG1      LYS  31  -5.529   6.346   6.721
  220    HD2  LYS  31           HD2      LYS  31  -6.059   8.455   7.311
  221    HD3  LYS  31           HD1      LYS  31  -4.955   9.168   6.134
  222    HE2  LYS  31           HE2      LYS  31  -6.637   9.570   4.742
  223    HE3  LYS  31           HE1      LYS  31  -7.103   7.870   4.760
  224    HZ1  LYS  31           HZ1      LYS  31  -8.731   8.240   6.249
  225    HZ2  LYS  31           HZ2      LYS  31  -8.662   9.822   5.655
  226    HZ3  LYS  31           HZ3      LYS  31  -7.866   9.424   7.094
  227    H    ASP  32           HN       ASP  32  -1.406   4.626   4.135
  228    HA   ASP  32           HA       ASP  32   1.031   5.170   5.558
  229    HB2  ASP  32           HB2      ASP  32   0.220   3.571   3.247
  230    HB3  ASP  32           HB1      ASP  32   1.782   4.350   3.029
  231    H    CYS  33           HN       CYS  33  -0.600   6.430   2.691
  232    HA   CYS  33           HA       CYS  33   1.521   8.127   1.866
  233    HB2  CYS  33           HB2      CYS  33  -1.413   7.974   1.247
  234    HB3  CYS  33           HB1      CYS  33  -0.475   9.352   0.694
  235    H    ALA  34           HN       ALA  34   0.701  10.619   1.585
  236    HA   ALA  34           HA       ALA  34   0.976  11.722   4.181
  237    HB1  ALA  34           HB1      ALA  34   1.794  12.722   2.019
  238    HB2  ALA  34           HB2      ALA  34   0.985  13.837   3.120
  239    HB3  ALA  34           HB3      ALA  34   0.128  13.211   1.711
  240    H    ASP  35           HN       ASP  35  -1.762  11.312   1.994
  241    HA   ASP  35           HA       ASP  35  -3.534  12.181   4.181
  242    HB2  ASP  35           HB2      ASP  35  -4.036  12.614   1.231
  243    HB3  ASP  35           HB1      ASP  35  -5.056  13.155   2.561
  244    H    GLY  36           HN       GLY  36  -2.659   9.487   3.595
  245    HA2  GLY  36           HA2      GLY  36  -3.588   7.384   3.507
  246    HA3  GLY  36           HA1      GLY  36  -5.145   8.165   3.731
  247    H    ALA  37           HN       ALA  37  -3.141   9.005   1.022
  248    HA   ALA  37           HA       ALA  37  -5.105   8.558  -0.892
  249    HB1  ALA  37           HB1      ALA  37  -3.482   9.896  -1.736
  250    HB2  ALA  37           HB2      ALA  37  -2.932   8.363  -2.415
  251    HB3  ALA  37           HB3      ALA  37  -2.181   9.001  -0.950
  252    H    ASP  38           HN       ASP  38  -2.620   6.406   0.362
  253    HA   ASP  38           HA       ASP  38  -2.866   4.342  -1.528
  254    HB2  ASP  38           HB2      ASP  38  -1.832   2.908   0.171
  255    HB3  ASP  38           HB1      ASP  38  -1.018   4.462   0.092
  256    H    GLU  39           HN       GLU  39  -4.596   5.022   1.472
  257    HA   GLU  39           HA       GLU  39  -6.248   2.664   1.225
  258    HB2  GLU  39           HB2      GLU  39  -6.706   4.987   3.088
  259    HB3  GLU  39           HB1      GLU  39  -7.270   3.332   3.267
  260    HG2  GLU  39           HG2      GLU  39  -4.349   3.990   3.243
  261    HG3  GLU  39           HG1      GLU  39  -5.311   4.102   4.713
  262    H    SER  40           HN       SER  40  -6.187   5.585  -0.304
  263    HA   SER  40           HA       SER  40  -9.070   5.936  -0.482
  264    HB2  SER  40           HB2      SER  40  -6.888   7.497  -1.877
  265    HB3  SER  40           HB1      SER  40  -8.581   7.961  -1.705
  266    HG   SER  40           HG       SER  40  -6.832   7.550   0.488
  267    H    ILE  41           HN       ILE  41  -9.981   6.313  -2.697
  268    HA   ILE  41           HA       ILE  41  -9.640   3.977  -4.249
  269    HB   ILE  41           HB       ILE  41 -11.745   5.342  -4.016
  270   HG12  ILE  41          HG12      ILE  41 -12.199   5.081  -6.613
  271   HG13  ILE  41          HG11      ILE  41 -10.642   4.265  -6.563
  272   HG21  ILE  41          HG21      ILE  41 -10.636   7.523  -4.497
  273   HG22  ILE  41          HG22      ILE  41 -12.105   7.231  -5.428
  274   HG23  ILE  41          HG23      ILE  41 -10.525   7.030  -6.187
  275   HD11  ILE  41          HD11      ILE  41 -11.621   2.423  -5.842
  276   HD12  ILE  41          HD12      ILE  41 -13.185   3.235  -5.918
  277   HD13  ILE  41          HD13      ILE  41 -12.237   3.284  -4.431
  278    H    ALA  42           HN       ALA  42  -8.131   7.074  -4.315
  279    HA   ALA  42           HA       ALA  42  -7.400   7.424  -6.944
  280    HB1  ALA  42           HB1      ALA  42  -5.203   8.343  -5.843
  281    HB2  ALA  42           HB2      ALA  42  -6.103   8.091  -4.347
  282    HB3  ALA  42           HB3      ALA  42  -6.746   9.160  -5.595
  283    H    ALA  43           HN       ALA  43  -6.283   5.052  -4.673
  284    HA   ALA  43           HA       ALA  43  -4.143   4.188  -6.481
  285    HB1  ALA  43           HB1      ALA  43  -3.323   2.866  -4.635
  286    HB2  ALA  43           HB2      ALA  43  -4.762   3.242  -3.687
  287    HB3  ALA  43           HB3      ALA  43  -3.613   4.518  -4.088
  288    H    GLY  44           HN       GLY  44  -7.321   3.377  -5.470
  289    HA2  GLY  44           HA2      GLY  44  -8.584   1.825  -6.833
  290    HA3  GLY  44           HA1      GLY  44  -7.128   0.847  -6.971
  291    H    CYS  45           HN       CYS  45  -8.271   2.335  -4.015
  292    HA   CYS  45           HA       CYS  45  -8.219  -0.201  -2.670
  293    HB2  CYS  45           HB2      CYS  45  -7.519   2.100  -1.741
  294    HB3  CYS  45           HB1      CYS  45  -9.239   2.369  -1.487
  295    H    LEU  46           HN       LEU  46 -10.498   1.122  -4.607
  296    HA   LEU  46           HA       LEU  46 -12.687   0.669  -4.991
  297    HB2  LEU  46           HB2      LEU  46 -12.549  -1.321  -2.737
  298    HB3  LEU  46           HB1      LEU  46 -13.673  -1.303  -4.081
  299    HG   LEU  46           HG       LEU  46 -12.284  -2.956  -4.797
  300   HD11  LEU  46          HD11      LEU  46 -10.458  -0.772  -5.713
  301   HD12  LEU  46          HD12      LEU  46 -12.112  -0.875  -6.316
  302   HD13  LEU  46          HD13      LEU  46 -10.996  -2.216  -6.571
  303   HD21  LEU  46          HD21      LEU  46  -9.676  -1.851  -4.029
  304   HD22  LEU  46          HD22      LEU  46 -10.313  -3.487  -3.868
  305   HD23  LEU  46          HD23      LEU  46 -10.743  -2.253  -2.684
  306    H    TYR  47           HN       TYR  47 -11.652   2.387  -2.577
  307    HA   TYR  47           HA       TYR  47 -14.117   3.517  -1.909
  308    HB2  TYR  47           HB2      TYR  47 -14.352   2.844   0.441
  309    HB3  TYR  47           HB1      TYR  47 -14.494   1.459  -0.636
  310    HD1  TYR  47           HD1      TYR  47 -12.060   3.243   1.542
  311    HD2  TYR  47           HD2      TYR  47 -13.165  -0.429  -0.300
  312    HE1  TYR  47           HE1      TYR  47 -10.303   2.086   2.809
  313    HE2  TYR  47           HE2      TYR  47 -11.411  -1.597   0.965
  314    HH   TYR  47           HH       TYR  47 -10.138  -1.262   3.088
  315    H    ASN  48           HN       ASN  48 -13.756   4.726   0.435
  316    HA   ASN  48           HA       ASN  48 -11.178   5.542   1.132
  317    HB2  ASN  48           HB2      ASN  48 -10.895   6.544  -0.994
  318    HB3  ASN  48           HB1      ASN  48 -12.523   7.200  -0.990
  319   HD21  ASN  48          HD21      ASN  48  -9.451   7.393   0.757
  320   HD22  ASN  48          HD22      ASN  48  -9.560   9.079   1.112
  321    H    SER  49           HN       SER  49 -11.200   7.511   2.525
  322    HA   SER  49           HA       SER  49 -12.116   8.921   4.077
  323    HB2  SER  49           HB2      SER  49 -14.132   8.853   2.233
  324    HB3  SER  49           HB1      SER  49 -14.943   8.205   3.659
  325    HG   SER  49           HG       SER  49 -15.117  10.443   3.660
  326    H    THR  50           HN       THR  50 -14.448   6.224   3.899
  327    HA   THR  50           HA       THR  50 -14.616   5.884   6.679
  328    HB   THR  50           HB       THR  50 -15.667   3.704   6.150
  329    HG1  THR  50           HG1      THR  50 -15.596   2.874   4.172
  330   HG21  THR  50          HG21      THR  50 -16.998   5.071   4.040
  331   HG22  THR  50          HG22      THR  50 -16.600   6.221   5.317
  332   HG23  THR  50          HG23      THR  50 -17.539   4.775   5.692
  333    H    GLY  51           HN       GLY  51 -13.401   3.281   4.601
  334    HA2  GLY  51           HA2      GLY  51 -11.769   1.706   5.004
  335    HA3  GLY  51           HA1      GLY  51 -10.778   3.115   5.349
  336    H    SER  52           HN       SER  52  -9.579   2.106   6.945
  337    HA   SER  52           HA       SER  52  -9.043   1.405   9.040
  338    HB2  SER  52           HB2      SER  52 -11.629   2.808   9.751
  339    HB3  SER  52           HB1      SER  52 -10.386   2.317  10.901
  340    HG   SER  52           HG       SER  52 -10.454   4.593   9.873
  341    H    GLY  53           HN       GLY  53  -9.483  -0.780   8.136
  342    HA2  GLY  53           HA2      GLY  53 -10.119  -2.842   9.254
  343    HA3  GLY  53           HA1      GLY  53 -11.637  -2.070   9.687
  344    H    SER  54           HN       SER  54 -10.082  -1.959   6.525
  345    HA   SER  54           HA       SER  54 -10.752  -2.660   4.469
  346    HB2  SER  54           HB2      SER  54 -11.377  -4.872   4.249
  347    HB3  SER  54           HB1      SER  54 -10.697  -4.892   5.875
  348    HG   SER  54           HG       SER  54 -12.971  -4.454   6.545
  349    H    GLY  55           HN       GLY  55 -12.112  -1.453   3.338
  350    HA2  GLY  55           HA2      GLY  55 -14.789  -0.927   4.405
  351    HA3  GLY  55           HA1      GLY  55 -13.990  -0.024   3.126
  352    H    SER  56           HN       SER  56 -13.206  -2.518   1.733
  353    HA   SER  56           HA       SER  56 -15.723  -2.909   0.323
  354    HB2  SER  56           HB2      SER  56 -13.959  -2.480  -1.172
  355    HB3  SER  56           HB1      SER  56 -12.850  -3.546  -0.310
  356    HG   SER  56           HG       SER  56 -13.467  -5.039  -1.635
  357    H    GLY  57           HN       GLY  57 -13.148  -4.957   1.706
  358    HA2  GLY  57           HA2      GLY  57 -14.159  -6.724   3.244
  359    HA3  GLY  57           HA1      GLY  57 -15.106  -7.160   1.831
  360    H    SER 129           HN       SER 129 -14.367  -9.125   1.287
  361    HA   SER 129           HA       SER 129 -11.753 -10.062   1.624
  362    HB2  SER 129           HB2      SER 129 -13.799 -10.992  -0.405
  363    HB3  SER 129           HB1      SER 129 -12.399 -11.907   0.154
  364    HG   SER 129           HG       SER 129 -13.390 -11.623   2.321
  365    H    THR 130           HN       THR 130 -13.344  -8.743  -1.271
  366    HA   THR 130           HA       THR 130 -11.300  -9.046  -3.099
  367    HB   THR 130           HB       THR 130 -12.930  -6.527  -3.055
  368    HG1  THR 130           HG1      THR 130 -13.862  -9.150  -3.571
  369   HG21  THR 130          HG21      THR 130 -11.952  -6.440  -5.065
  370   HG22  THR 130          HG22      THR 130 -13.208  -7.596  -5.512
  371   HG23  THR 130          HG23      THR 130 -11.595  -8.167  -5.084
  372    H    GLU 131           HN       GLU 131 -11.595  -6.744  -0.497
  373    HA   GLU 131           HA       GLU 131  -9.646  -4.892  -1.347
  374    HB2  GLU 131           HB2      GLU 131 -11.282  -4.467   0.469
  375    HB3  GLU 131           HB1      GLU 131 -10.427  -5.621   1.482
  376    HG2  GLU 131           HG2      GLU 131  -8.718  -3.530   0.374
  377    HG3  GLU 131           HG1      GLU 131  -9.996  -2.931   1.431
  378    H    GLU 132           HN       GLU 132  -9.384  -7.517   1.055
  379    HA   GLU 132           HA       GLU 132  -6.580  -7.322   1.319
  380    HB2  GLU 132           HB2      GLU 132  -8.126  -9.853   1.814
  381    HB3  GLU 132           HB1      GLU 132  -6.701  -9.259   2.653
  382    HG2  GLU 132           HG2      GLU 132  -8.691  -7.312   3.007
  383    HG3  GLU 132           HG1      GLU 132  -9.466  -8.872   3.269
  384    H    LEU 133           HN       LEU 133  -8.616  -8.902  -0.991
  385    HA   LEU 133           HA       LEU 133  -6.926 -10.903  -1.931
  386    HB2  LEU 133           HB2      LEU 133  -9.252  -9.422  -2.936
  387    HB3  LEU 133           HB1      LEU 133  -8.220 -10.085  -4.190
  388    HG   LEU 133           HG       LEU 133  -8.476 -12.323  -3.230
  389   HD11  LEU 133          HD11      LEU 133 -10.651 -11.431  -1.431
  390   HD12  LEU 133          HD12      LEU 133  -8.992 -11.174  -0.891
  391   HD13  LEU 133          HD13      LEU 133  -9.549 -12.799  -1.289
  392   HD21  LEU 133          HD21      LEU 133 -10.772 -10.703  -4.149
  393   HD22  LEU 133          HD22      LEU 133 -11.138 -12.288  -3.467
  394   HD23  LEU 133          HD23      LEU 133 -10.051 -12.153  -4.849
  395    H    ARG 134           HN       ARG 134  -7.501  -7.858  -3.688
  396    HA   ARG 134           HA       ARG 134  -5.260  -8.035  -5.327
  397    HB2  ARG 134           HB2      ARG 134  -5.651  -5.736  -5.894
  398    HB3  ARG 134           HB1      ARG 134  -7.210  -6.514  -5.665
  399    HG2  ARG 134           HG2      ARG 134  -7.060  -5.582  -3.259
  400    HG3  ARG 134           HG1      ARG 134  -5.828  -4.511  -3.928
  401    HD2  ARG 134           HD2      ARG 134  -8.755  -4.584  -4.403
  402    HD3  ARG 134           HD1      ARG 134  -7.668  -3.207  -4.256
  403    HE   ARG 134           HE       ARG 134  -7.177  -3.365  -6.529
  404   HH11  ARG 134          HH11      ARG 134  -9.323  -5.941  -5.537
  405   HH12  ARG 134          HH12      ARG 134  -9.774  -6.351  -7.156
  406   HH21  ARG 134          HH21      ARG 134  -7.774  -3.911  -8.654
  407   HH22  ARG 134          HH22      ARG 134  -8.896  -5.202  -8.924
  408    H    VAL 135           HN       VAL 135  -5.622  -6.645  -2.129
  409    HA   VAL 135           HA       VAL 135  -3.070  -5.380  -2.043
  410    HB   VAL 135           HB       VAL 135  -4.859  -6.235   0.238
  411   HG11  VAL 135          HG11      VAL 135  -2.857  -4.006   0.305
  412   HG12  VAL 135          HG12      VAL 135  -2.411  -5.659   0.723
  413   HG13  VAL 135          HG13      VAL 135  -3.654  -4.821   1.650
  414   HG21  VAL 135          HG21      VAL 135  -5.951  -4.192   0.102
  415   HG22  VAL 135          HG22      VAL 135  -5.766  -4.658  -1.588
  416   HG23  VAL 135          HG23      VAL 135  -4.678  -3.466  -0.878
  417    H    ARG 136           HN       ARG 136  -4.263  -8.569  -1.246
  418    HA   ARG 136           HA       ARG 136  -2.143  -9.469   0.351
  419    HB2  ARG 136           HB2      ARG 136  -4.319 -10.722  -1.213
  420    HB3  ARG 136           HB1      ARG 136  -2.943 -11.753  -0.845
  421    HG2  ARG 136           HG2      ARG 136  -3.407 -11.821   1.365
  422    HG3  ARG 136           HG1      ARG 136  -4.055 -10.181   1.394
  423    HD2  ARG 136           HD2      ARG 136  -6.098 -11.055   1.410
  424    HD3  ARG 136           HD1      ARG 136  -5.803 -11.653  -0.221
  425    HE   ARG 136           HE       ARG 136  -5.851 -13.187   2.208
  426   HH11  ARG 136          HH11      ARG 136  -4.637 -13.050  -1.061
  427   HH12  ARG 136          HH12      ARG 136  -4.436 -14.765  -1.191
  428   HH21  ARG 136          HH21      ARG 136  -5.585 -15.444   2.038
  429   HH22  ARG 136          HH22      ARG 136  -4.975 -16.124   0.567
  430    H    LEU 137           HN       LEU 137  -2.604  -9.616  -3.164
  431    HA   LEU 137           HA       LEU 137  -0.530 -11.206  -3.940
  432    HB2  LEU 137           HB2      LEU 137  -2.261  -9.951  -5.352
  433    HB3  LEU 137           HB1      LEU 137  -1.105  -8.631  -5.367
  434    HG   LEU 137           HG       LEU 137  -1.015 -10.082  -7.389
  435   HD11  LEU 137          HD11      LEU 137   1.609 -10.523  -6.136
  436   HD12  LEU 137          HD12      LEU 137   1.003  -8.868  -6.070
  437   HD13  LEU 137          HD13      LEU 137   1.187  -9.679  -7.626
  438   HD21  LEU 137          HD21      LEU 137   0.406 -12.171  -5.832
  439   HD22  LEU 137          HD22      LEU 137  -0.511 -12.303  -7.333
  440   HD23  LEU 137          HD23      LEU 137  -1.358 -12.173  -5.792
  441    H    ALA 138           HN       ALA 138  -0.303  -7.931  -2.728
  442    HA   ALA 138           HA       ALA 138   2.554  -7.834  -3.346
  443    HB1  ALA 138           HB1      ALA 138   2.183  -5.469  -2.260
  444    HB2  ALA 138           HB2      ALA 138   0.491  -5.820  -2.619
  445    HB3  ALA 138           HB3      ALA 138   1.686  -5.801  -3.919
  446    H    SER 139           HN       SER 139   0.715  -9.006  -0.886
  447    HA   SER 139           HA       SER 139   2.165  -7.972   1.354
  448    HB2  SER 139           HB2      SER 139  -0.187  -8.648   1.524
  449    HB3  SER 139           HB1      SER 139   0.272 -10.318   1.202
  450    HG   SER 139           HG       SER 139   1.204 -10.458   3.150
  451    H    HIS 140           HN       HIS 140   3.131 -10.148  -0.947
  452    HA   HIS 140           HA       HIS 140   4.390 -12.019   0.877
  453    HB2  HIS 140           HB2      HIS 140   5.319 -12.107  -1.900
  454    HB3  HIS 140           HB1      HIS 140   4.675 -13.389  -0.884
  455    HD1  HIS 140           HD1      HIS 140   1.800 -12.048  -0.512
  456    HD2  HIS 140           HD2      HIS 140   3.824 -12.640  -4.088
  457    HE1  HIS 140           HE1      HIS 140   0.038 -12.104  -2.327
  458    H    LEU 141           HN       LEU 141   5.262  -9.132  -0.860
  459    HA   LEU 141           HA       LEU 141   8.007  -9.454   0.157
  460    HB2  LEU 141           HB2      LEU 141   7.901  -9.719  -2.288
  461    HB3  LEU 141           HB1      LEU 141   7.199  -8.118  -2.418
  462    HG   LEU 141           HG       LEU 141   9.554  -7.748  -0.956
  463   HD11  LEU 141          HD11      LEU 141  10.124  -9.467  -3.360
  464   HD12  LEU 141          HD12      LEU 141  10.189 -10.040  -1.693
  465   HD13  LEU 141          HD13      LEU 141  11.290  -8.771  -2.234
  466   HD21  LEU 141          HD21      LEU 141   8.859  -7.264  -3.845
  467   HD22  LEU 141          HD22      LEU 141  10.311  -6.635  -3.066
  468   HD23  LEU 141          HD23      LEU 141   8.718  -6.137  -2.496
  469    H    ARG 142           HN       ARG 142   5.843  -6.935  -1.149
  470    HA   ARG 142           HA       ARG 142   7.020  -4.689  -0.233
  471    HB2  ARG 142           HB2      ARG 142   4.067  -5.298  -0.258
  472    HB3  ARG 142           HB1      ARG 142   4.739  -3.687  -0.049
  473    HG2  ARG 142           HG2      ARG 142   5.055  -5.465  -2.458
  474    HG3  ARG 142           HG1      ARG 142   4.080  -4.000  -2.342
  475    HD2  ARG 142           HD2      ARG 142   6.211  -2.769  -1.794
  476    HD3  ARG 142           HD1      ARG 142   7.080  -4.239  -2.223
  477    HE   ARG 142           HE       ARG 142   5.761  -2.393  -4.025
  478   HH11  ARG 142          HH11      ARG 142   7.156  -5.569  -3.622
  479   HH12  ARG 142          HH12      ARG 142   7.492  -5.770  -5.308
  480   HH21  ARG 142          HH21      ARG 142   6.210  -2.656  -6.239
  481   HH22  ARG 142          HH22      ARG 142   6.956  -4.117  -6.794
  482    H    LYS 143           HN       LYS 143   5.078  -6.882   1.761
  483    HA   LYS 143           HA       LYS 143   5.548  -5.152   4.076
  484    HB2  LYS 143           HB2      LYS 143   3.731  -7.510   3.625
  485    HB3  LYS 143           HB1      LYS 143   4.025  -6.852   5.229
  486    HG2  LYS 143           HG2      LYS 143   2.915  -5.303   2.901
  487    HG3  LYS 143           HG1      LYS 143   1.960  -5.997   4.212
  488    HD2  LYS 143           HD2      LYS 143   3.247  -4.608   5.815
  489    HD3  LYS 143           HD1      LYS 143   4.073  -3.856   4.448
  490    HE2  LYS 143           HE2      LYS 143   2.413  -2.331   4.671
  491    HE3  LYS 143           HE1      LYS 143   1.536  -3.493   3.676
  492    HZ1  LYS 143           HZ1      LYS 143   1.464  -3.482   6.642
  493    HZ2  LYS 143           HZ2      LYS 143   0.497  -4.397   5.599
  494    HZ3  LYS 143           HZ3      LYS 143   0.308  -2.718   5.670
  495    H    LEU 144           HN       LEU 144   6.060  -8.510   3.032
  496    HA   LEU 144           HA       LEU 144   7.362  -9.418   5.330
  497    HB2  LEU 144           HB2      LEU 144   7.172 -10.275   2.514
  498    HB3  LEU 144           HB1      LEU 144   8.583 -10.857   3.377
  499    HG   LEU 144           HG       LEU 144   7.157 -11.893   5.065
  500   HD11  LEU 144          HD11      LEU 144   4.927 -11.602   5.251
  501   HD12  LEU 144          HD12      LEU 144   4.688 -11.462   3.509
  502   HD13  LEU 144          HD13      LEU 144   5.285 -10.082   4.431
  503   HD21  LEU 144          HD21      LEU 144   6.311 -13.686   3.739
  504   HD22  LEU 144          HD22      LEU 144   7.779 -13.095   2.961
  505   HD23  LEU 144          HD23      LEU 144   6.199 -12.655   2.313
  506    H    ARG 145           HN       ARG 145   8.670  -7.931   2.395
  507    HA   ARG 145           HA       ARG 145  11.259  -7.621   3.757
  508    HB2  ARG 145           HB2      ARG 145  10.493  -7.901   0.879
  509    HB3  ARG 145           HB1      ARG 145  11.977  -7.057   1.302
  510    HG2  ARG 145           HG2      ARG 145  11.266  -9.897   1.994
  511    HG3  ARG 145           HG1      ARG 145  12.460  -9.358   0.816
  512    HD2  ARG 145           HD2      ARG 145  13.626  -8.189   2.735
  513    HD3  ARG 145           HD1      ARG 145  12.554  -9.087   3.808
  514    HE   ARG 145           HE       ARG 145  14.821 -10.109   2.368
  515   HH11  ARG 145          HH11      ARG 145  11.783 -10.928   3.878
  516   HH12  ARG 145          HH12      ARG 145  12.218 -12.583   4.144
  517   HH21  ARG 145          HH21      ARG 145  15.395 -12.285   2.716
  518   HH22  ARG 145          HH22      ARG 145  14.269 -13.354   3.485
  519    H    LYS 146           HN       LYS 146  12.141  -5.617   4.027
  520    HA   LYS 146           HA       LYS 146  10.560  -3.330   3.047
  521    HB2  LYS 146           HB2      LYS 146  10.504  -3.926   5.588
  522    HB3  LYS 146           HB1      LYS 146  12.106  -3.201   5.608
  523    HG2  LYS 146           HG2      LYS 146  11.021  -1.173   4.511
  524    HG3  LYS 146           HG1      LYS 146   9.480  -1.906   4.962
  525    HD2  LYS 146           HD2      LYS 146  10.176  -1.929   7.306
  526    HD3  LYS 146           HD1      LYS 146  11.724  -1.212   6.857
  527    HE2  LYS 146           HE2      LYS 146  10.321   0.537   7.678
  528    HE3  LYS 146           HE1      LYS 146  10.468   0.737   5.932
  529    HZ1  LYS 146           HZ1      LYS 146   8.245   0.913   6.060
  530    HZ2  LYS 146           HZ2      LYS 146   8.137   0.086   7.532
  531    HZ3  LYS 146           HZ3      LYS 146   8.282  -0.779   6.086
  532    H    ARG 147           HN       ARG 147  11.668  -1.486   2.418
  533    HA   ARG 147           HA       ARG 147  13.351  -0.375   1.351
  534    HB2  ARG 147           HB2      ARG 147  15.415  -1.311   3.248
  535    HB3  ARG 147           HB1      ARG 147  14.980   0.324   2.774
  536    HG2  ARG 147           HG2      ARG 147  12.801  -0.328   4.202
  537    HG3  ARG 147           HG1      ARG 147  14.009  -1.326   5.014
  538    HD2  ARG 147           HD2      ARG 147  15.423   0.684   5.289
  539    HD3  ARG 147           HD1      ARG 147  14.140   1.653   4.564
  540    HE   ARG 147           HE       ARG 147  12.978   1.544   6.540
  541   HH11  ARG 147          HH11      ARG 147  15.569  -0.794   6.608
  542   HH12  ARG 147          HH12      ARG 147  15.356  -1.165   8.286
  543   HH21  ARG 147          HH21      ARG 147  12.698   1.055   8.747
  544   HH22  ARG 147          HH22      ARG 147  13.727  -0.118   9.499
  545    H    LEU 148           HN       LEU 148  12.891  -3.118   0.528
  546    HA   LEU 148           HA       LEU 148  13.767  -4.488  -1.079
  547    HB2  LEU 148           HB2      LEU 148  15.142  -2.382  -1.663
  548    HB3  LEU 148           HB1      LEU 148  16.446  -3.164  -0.790
  549    HG   LEU 148           HG       LEU 148  16.117  -5.145  -2.363
  550   HD11  LEU 148          HD11      LEU 148  13.861  -3.903  -3.122
  551   HD12  LEU 148          HD12      LEU 148  14.743  -5.033  -4.149
  552   HD13  LEU 148          HD13      LEU 148  14.969  -3.296  -4.352
  553   HD21  LEU 148          HD21      LEU 148  16.944  -2.807  -3.982
  554   HD22  LEU 148          HD22      LEU 148  17.769  -4.339  -3.696
  555   HD23  LEU 148          HD23      LEU 148  17.796  -3.079  -2.462
  556    H    LEU 149           HN       LEU 149  16.229  -3.767   1.407
  557    HA   LEU 149           HA       LEU 149  17.380  -6.305   1.493
  558    HB2  LEU 149           HB2      LEU 149  18.149  -5.649   3.769
  559    HB3  LEU 149           HB1      LEU 149  18.495  -4.466   2.522
  560    HG   LEU 149           HG       LEU 149  16.391  -3.248   3.299
  561   HD11  LEU 149          HD11      LEU 149  16.646  -5.350   5.402
  562   HD12  LEU 149          HD12      LEU 149  15.202  -4.726   4.604
  563   HD13  LEU 149          HD13      LEU 149  16.026  -3.753   5.823
  564   HD21  LEU 149          HD21      LEU 149  17.635  -2.381   5.379
  565   HD22  LEU 149          HD22      LEU 149  18.411  -2.212   3.805
  566   HD23  LEU 149          HD23      LEU 149  18.910  -3.501   4.900
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   2.869  13.509   6.496
    2    H2   GLY   1           HT2      GLY   1   4.301  13.542   7.395
    3    H3   GLY   1           HT3      GLY   1   2.987  12.621   7.931
    4    HA2  GLY   1           HA1      GLY   1   3.316  11.541   5.533
    5    HA3  GLY   1           HA2      GLY   1   4.968  12.030   5.882
    6    H    SER   2           HN       SER   2   4.177   9.356   5.582
    7    HA   SER   2           HA       SER   2   4.437   8.345   8.339
    8    HB2  SER   2           HB2      SER   2   3.379   6.742   6.011
    9    HB3  SER   2           HB1      SER   2   3.239   6.387   7.733
   10    HG   SER   2           HG       SER   2   1.490   7.621   6.270
   11    H    LYS   2           HN       LYS   2   5.160   5.749   7.777
   12    HA   LYS   2           HA       LYS   2   7.944   6.023   7.306
   13    HB2  LYS   2           HB2      LYS   2   6.458   3.410   7.258
   14    HB3  LYS   2           HB1      LYS   2   8.110   3.715   7.773
   15    HG2  LYS   2           HG2      LYS   2   7.229   3.597   9.829
   16    HG3  LYS   2           HG1      LYS   2   6.753   5.268   9.519
   17    HD2  LYS   2           HD2      LYS   2   4.721   3.789   8.368
   18    HD3  LYS   2           HD1      LYS   2   5.110   2.886   9.833
   19    HE2  LYS   2           HE2      LYS   2   4.212   5.739   9.571
   20    HE3  LYS   2           HE1      LYS   2   3.455   4.428  10.474
   21    HZ1  LYS   2           HZ1      LYS   2   5.815   6.038  11.167
   22    HZ2  LYS   2           HZ2      LYS   2   5.681   4.466  11.776
   23    HZ3  LYS   2           HZ3      LYS   2   4.488   5.612  12.127
   24    H    LEU   2           HN       LEU   2   7.665   7.078   5.155
   25    HA   LEU   2           HA       LEU   2   7.635   5.031   3.042
   26    HB2  LEU   2           HB2      LEU   2   5.958   7.352   3.323
   27    HB3  LEU   2           HB1      LEU   2   6.923   7.492   1.866
   28    HG   LEU   2           HG       LEU   2   6.060   5.389   1.031
   29   HD11  LEU   2          HD11      LEU   2   5.850   4.201   3.144
   30   HD12  LEU   2          HD12      LEU   2   4.333   4.154   2.246
   31   HD13  LEU   2          HD13      LEU   2   4.514   5.251   3.615
   32   HD21  LEU   2          HD21      LEU   2   4.759   7.327   0.487
   33   HD22  LEU   2          HD22      LEU   2   3.928   7.264   2.042
   34   HD23  LEU   2          HD23      LEU   2   3.656   5.998   0.844
   35    H    GLU   3           HN       GLU   3   9.998   5.426   4.061
   36    HA   GLU   3           HA       GLU   3  11.352   7.590   2.643
   37    HB2  GLU   3           HB2      GLU   3  13.368   6.730   3.942
   38    HB3  GLU   3           HB1      GLU   3  12.068   7.450   4.882
   39    HG2  GLU   3           HG2      GLU   3  11.292   5.324   5.594
   40    HG3  GLU   3           HG1      GLU   3  12.351   4.490   4.458
   41    H    GLY   4           HN       GLY   4  11.317   4.058   2.829
   42    HA2  GLY   4           HA2      GLY   4  13.237   3.911   0.619
   43    HA3  GLY   4           HA1      GLY   4  12.704   2.566   1.615
   44    H    LYS   5           HN       LYS   5  10.829   1.468   1.101
   45    HA   LYS   5           HA       LYS   5   9.434   0.457  -0.398
   46    HB2  LYS   5           HB2      LYS   5   8.218   2.857  -1.469
   47    HB3  LYS   5           HB1      LYS   5   7.524   1.616  -0.439
   48    HG2  LYS   5           HG2      LYS   5   9.262   3.795   0.666
   49    HG3  LYS   5           HG1      LYS   5   7.530   4.002   0.431
   50    HD2  LYS   5           HD2      LYS   5   7.113   2.930   2.321
   51    HD3  LYS   5           HD1      LYS   5   7.997   1.514   1.752
   52    HE2  LYS   5           HE2      LYS   5  10.066   2.415   2.597
   53    HE3  LYS   5           HE1      LYS   5   9.274   3.928   3.030
   54    HZ1  LYS   5           HZ1      LYS   5   7.784   2.281   4.418
   55    HZ2  LYS   5           HZ2      LYS   5   9.239   2.887   5.031
   56    HZ3  LYS   5           HZ3      LYS   5   9.184   1.331   4.369
   57    H    THR   6           HN       THR   6   8.303   1.218  -2.777
   58    HA   THR   6           HA       THR   6  10.121   2.282  -4.650
   59    HB   THR   6           HB       THR   6  11.456   0.351  -4.429
   60    HG1  THR   6           HG1      THR   6  11.443   0.205  -6.507
   61   HG21  THR   6          HG21      THR   6  10.759  -1.598  -3.664
   62   HG22  THR   6          HG22      THR   6   9.659  -1.789  -5.030
   63   HG23  THR   6          HG23      THR   6   9.125  -0.940  -3.580
   64    H    CYS   7           HN       CYS   7   9.381   1.709  -6.959
   65    HA   CYS   7           HA       CYS   7   6.476   1.240  -6.976
   66    HB2  CYS   7           HB2      CYS   7   7.047   2.984  -9.121
   67    HB3  CYS   7           HB1      CYS   7   6.122   3.337  -7.668
   68    H    GLY   8           HN       GLY   8   5.643   0.147  -8.739
   69    HA2  GLY   8           HA2      GLY   8   6.180  -0.484 -11.144
   70    HA3  GLY   8           HA1      GLY   8   7.676  -1.112 -10.469
   71    HA   PRO   9           HA       PRO   9   5.577  -4.893  -9.572
   72    HB2  PRO   9           HB2      PRO   9   6.728  -5.788  -7.332
   73    HB3  PRO   9           HB1      PRO   9   7.657  -5.587  -8.823
   74    HG2  PRO   9           HG2      PRO   9   7.540  -3.831  -6.409
   75    HG3  PRO   9           HG1      PRO   9   8.935  -4.268  -7.411
   76    HD2  PRO   9           HD2      PRO   9   7.512  -1.896  -7.609
   77    HD3  PRO   9           HD1      PRO   9   8.536  -2.578  -8.887
   78    H    SER  10           HN       SER  10   3.431  -4.159  -9.200
   79    HA   SER  10           HA       SER  10   1.510  -3.809  -8.025
   80    HB2  SER  10           HB2      SER  10   1.110  -5.279  -6.181
   81    HB3  SER  10           HB1      SER  10   2.164  -6.146  -7.299
   82    HG   SER  10           HG       SER  10   3.522  -6.312  -5.720
   83    H    SER  11           HN       SER  11   2.702  -1.560  -7.920
   84    HA   SER  11           HA       SER  11   2.426  -0.672  -5.153
   85    HB2  SER  11           HB2      SER  11   4.815  -0.113  -6.915
   86    HB3  SER  11           HB1      SER  11   4.443   0.823  -5.467
   87    HG   SER  11           HG       SER  11   5.412  -0.692  -4.403
   88    H    PHE  12           HN       PHE  12   1.721   1.422  -4.887
   89    HA   PHE  12           HA       PHE  12   0.782   2.745  -7.341
   90    HB2  PHE  12           HB2      PHE  12  -1.151   2.158  -6.162
   91    HB3  PHE  12           HB1      PHE  12  -0.415   2.490  -4.599
   92    HD1  PHE  12           HD1      PHE  12  -1.621   4.157  -7.692
   93    HD2  PHE  12           HD2      PHE  12  -0.781   4.519  -3.535
   94    HE1  PHE  12           HE1      PHE  12  -2.655   6.390  -7.682
   95    HE2  PHE  12           HE2      PHE  12  -1.815   6.751  -3.517
   96    HZ   PHE  12           HZ       PHE  12  -2.754   7.689  -5.591
   97    H    SER  13           HN       SER  13   1.545   4.717  -7.785
   98    HA   SER  13           HA       SER  13   3.563   5.912  -6.201
   99    HB2  SER  13           HB2      SER  13   3.508   6.217  -8.622
  100    HB3  SER  13           HB1      SER  13   1.961   7.054  -8.502
  101    HG   SER  13           HG       SER  13   3.026   8.677  -7.291
  102    H    CYS  14           HN       CYS  14   3.498   7.554  -4.737
  103    HA   CYS  14           HA       CYS  14   0.972   8.146  -3.538
  104    HB2  CYS  14           HB2      CYS  14   3.247   7.921  -2.366
  105    HB3  CYS  14           HB1      CYS  14   3.536   9.569  -2.898
  106    HA   PRO  15           HA       PRO  15   0.049  11.678  -6.094
  107    HB2  PRO  15           HB2      PRO  15  -1.915  12.345  -4.009
  108    HB3  PRO  15           HB1      PRO  15  -2.174  11.965  -5.712
  109    HG2  PRO  15           HG2      PRO  15  -2.870  10.255  -3.762
  110    HG3  PRO  15           HG1      PRO  15  -2.264   9.692  -5.331
  111    HD2  PRO  15           HD2      PRO  15  -0.827   9.916  -2.712
  112    HD3  PRO  15           HD1      PRO  15  -0.759   8.623  -3.929
  113    H    GLY  16           HN       GLY  16   1.165  13.510  -6.126
  114    HA2  GLY  16           HA2      GLY  16   1.730  15.659  -5.376
  115    HA3  GLY  16           HA1      GLY  16   1.219  15.208  -3.758
  116    H    THR  17           HN       THR  17   2.769  12.798  -3.587
  117    HA   THR  17           HA       THR  17   5.429  14.005  -3.287
  118    HB   THR  17           HB       THR  17   5.816  12.149  -1.639
  119    HG1  THR  17           HG1      THR  17   4.014  11.017  -0.926
  120   HG21  THR  17          HG21      THR  17   3.539  13.219  -0.327
  121   HG22  THR  17          HG22      THR  17   4.301  14.496  -1.276
  122   HG23  THR  17          HG23      THR  17   5.245  13.601  -0.085
  123    H    HIS  18           HN       HIS  18   7.149  13.194  -4.294
  124    HA   HIS  18           HA       HIS  18   6.957  11.561  -6.517
  125    HB2  HIS  18           HB2      HIS  18   9.462  11.306  -6.261
  126    HB3  HIS  18           HB1      HIS  18   8.868  12.965  -6.268
  127    HD1  HIS  18           HD1      HIS  18  10.670  10.509  -4.148
  128    HD2  HIS  18           HD2      HIS  18   8.924  14.257  -3.748
  129    HE1  HIS  18           HE1      HIS  18  11.509  11.454  -1.957
  130    H    VAL  19           HN       VAL  19   7.171  10.682  -3.183
  131    HA   VAL  19           HA       VAL  19   8.274   8.130  -3.345
  132    HB   VAL  19           HB       VAL  19   7.844   9.293  -1.221
  133   HG11  VAL  19          HG11      VAL  19   5.806   9.880  -0.451
  134   HG12  VAL  19          HG12      VAL  19   5.018   8.456  -1.131
  135   HG13  VAL  19          HG13      VAL  19   5.389   9.836  -2.164
  136   HG21  VAL  19          HG21      VAL  19   7.929   6.682  -1.591
  137   HG22  VAL  19          HG22      VAL  19   6.270   6.778  -0.998
  138   HG23  VAL  19          HG23      VAL  19   7.599   7.372  -0.001
  139    H    CYS  20           HN       CYS  20   7.326   6.059  -3.386
  140    HA   CYS  20           HA       CYS  20   4.642   5.954  -4.584
  141    HB2  CYS  20           HB2      CYS  20   5.699   3.725  -5.614
  142    HB3  CYS  20           HB1      CYS  20   5.797   5.279  -6.431
  143    H    VAL  21           HN       VAL  21   3.266   4.965  -3.307
  144    HA   VAL  21           HA       VAL  21   4.236   3.190  -1.216
  145    HB   VAL  21           HB       VAL  21   2.691   4.812  -0.438
  146   HG11  VAL  21          HG11      VAL  21   1.639   5.504  -2.462
  147   HG12  VAL  21          HG12      VAL  21   0.374   4.960  -1.364
  148   HG13  VAL  21          HG13      VAL  21   0.900   3.918  -2.687
  149   HG21  VAL  21          HG21      VAL  21   0.914   2.419  -0.673
  150   HG22  VAL  21          HG22      VAL  21   1.171   3.493   0.702
  151   HG23  VAL  21          HG23      VAL  21   2.418   2.333   0.247
  152    HA   PRO  22           HA       PRO  22   3.446  -0.463  -3.648
  153    HB2  PRO  22           HB2      PRO  22   3.216  -1.692  -0.952
  154    HB3  PRO  22           HB1      PRO  22   4.215  -2.166  -2.331
  155    HG2  PRO  22           HG2      PRO  22   5.300  -0.949  -0.228
  156    HG3  PRO  22           HG1      PRO  22   5.838  -0.583  -1.874
  157    HD2  PRO  22           HD2      PRO  22   4.075   0.998  -0.057
  158    HD3  PRO  22           HD1      PRO  22   5.310   1.559  -1.204
  159    H    GLU  23           HN       GLU  23   1.768  -2.046  -3.952
  160    HA   GLU  23           HA       GLU  23  -0.836  -1.019  -3.559
  161    HB2  GLU  23           HB2      GLU  23   0.309  -2.926  -5.193
  162    HB3  GLU  23           HB1      GLU  23  -0.710  -3.886  -4.133
  163    HG2  GLU  23           HG2      GLU  23  -2.517  -3.291  -5.253
  164    HG3  GLU  23           HG1      GLU  23  -2.153  -1.582  -5.015
  165    H    ARG  24           HN       ARG  24   0.984  -3.603  -1.959
  166    HA   ARG  24           HA       ARG  24  -1.088  -4.567  -0.336
  167    HB2  ARG  24           HB2      ARG  24   0.695  -5.992  -0.245
  168    HB3  ARG  24           HB1      ARG  24   1.874  -4.699  -0.335
  169    HG2  ARG  24           HG2      ARG  24   2.153  -5.706   1.771
  170    HG3  ARG  24           HG1      ARG  24   1.321  -4.182   2.075
  171    HD2  ARG  24           HD2      ARG  24  -0.737  -5.268   2.445
  172    HD3  ARG  24           HD1      ARG  24  -0.158  -6.775   1.742
  173    HE   ARG  24           HE       ARG  24   1.467  -6.624   3.787
  174   HH11  ARG  24          HH11      ARG  24  -1.940  -5.853   3.724
  175   HH12  ARG  24          HH12      ARG  24  -2.186  -6.262   5.386
  176   HH21  ARG  24          HH21      ARG  24   1.138  -7.160   5.969
  177   HH22  ARG  24          HH22      ARG  24  -0.442  -7.002   6.661
  178    H    TRP  25           HN       TRP  25   0.687  -1.636  -0.240
  179    HA   TRP  25           HA       TRP  25   0.039  -1.106   2.547
  180    HB2  TRP  25           HB2      TRP  25   1.498   0.593   0.515
  181    HB3  TRP  25           HB1      TRP  25   1.356   0.943   2.234
  182    HD1  TRP  25           HD1      TRP  25   2.127  -2.635   1.109
  183    HE1  TRP  25           HE1      TRP  25   4.525  -3.220   1.815
  184    HE3  TRP  25           HE3      TRP  25   3.650   1.973   2.712
  185    HZ2  TRP  25           HZ2      TRP  25   6.769  -1.914   2.896
  186    HZ3  TRP  25           HZ3      TRP  25   5.938   2.217   3.579
  187    HH2  TRP  25           HH2      TRP  25   7.467   0.314   3.669
  188    H    LEU  26           HN       LEU  26  -1.786  -1.083  -0.080
  189    HA   LEU  26           HA       LEU  26  -2.855   1.570  -0.023
  190    HB2  LEU  26           HB2      LEU  26  -3.392  -0.925  -1.501
  191    HB3  LEU  26           HB1      LEU  26  -4.760   0.143  -1.294
  192    HG   LEU  26           HG       LEU  26  -3.766   1.870  -2.536
  193   HD11  LEU  26          HD11      LEU  26  -1.627   2.303  -2.050
  194   HD12  LEU  26          HD12      LEU  26  -1.253   1.180  -3.357
  195   HD13  LEU  26          HD13      LEU  26  -1.267   0.615  -1.687
  196   HD21  LEU  26          HD21      LEU  26  -3.697  -0.827  -3.628
  197   HD22  LEU  26          HD22      LEU  26  -2.613   0.281  -4.470
  198   HD23  LEU  26          HD23      LEU  26  -4.329   0.665  -4.327
  199    H    CYS  27           HN       CYS  27  -4.518  -1.522   0.596
  200    HA   CYS  27           HA       CYS  27  -6.159  -0.119   2.594
  201    HB2  CYS  27           HB2      CYS  27  -6.764  -2.830   1.424
  202    HB3  CYS  27           HB1      CYS  27  -7.870  -1.704   2.202
  203    H    ASP  28           HN       ASP  28  -3.660  -0.740   3.475
  204    HA   ASP  28           HA       ASP  28  -3.568  -3.307   4.744
  205    HB2  ASP  28           HB2      ASP  28  -1.538  -2.411   5.853
  206    HB3  ASP  28           HB1      ASP  28  -1.499  -2.216   4.104
  207    H    GLY  29           HN       GLY  29  -4.921  -0.247   5.531
  208    HA2  GLY  29           HA2      GLY  29  -6.584  -0.274   7.330
  209    HA3  GLY  29           HA1      GLY  29  -5.441  -1.220   8.270
  210    H    ASP  30           HN       ASP  30  -3.839   1.160   6.532
  211    HA   ASP  30           HA       ASP  30  -4.218   3.302   8.436
  212    HB2  ASP  30           HB2      ASP  30  -1.586   1.819   8.250
  213    HB3  ASP  30           HB1      ASP  30  -1.786   3.386   9.028
  214    H    LYS  31           HN       LYS  31  -3.017   5.254   7.811
  215    HA   LYS  31           HA       LYS  31  -2.737   5.361   4.909
  216    HB2  LYS  31           HB2      LYS  31  -2.897   7.572   6.960
  217    HB3  LYS  31           HB1      LYS  31  -2.772   7.822   5.225
  218    HG2  LYS  31           HG2      LYS  31  -4.902   6.752   4.872
  219    HG3  LYS  31           HG1      LYS  31  -5.023   6.365   6.589
  220    HD2  LYS  31           HD2      LYS  31  -5.605   8.478   7.160
  221    HD3  LYS  31           HD1      LYS  31  -4.580   9.206   5.921
  222    HE2  LYS  31           HE2      LYS  31  -6.231   9.236   4.392
  223    HE3  LYS  31           HE1      LYS  31  -6.866   7.671   4.899
  224    HZ1  LYS  31           HZ1      LYS  31  -7.272  10.196   6.407
  225    HZ2  LYS  31           HZ2      LYS  31  -7.997   8.699   6.715
  226    HZ3  LYS  31           HZ3      LYS  31  -8.392   9.555   5.311
  227    H    ASP  32           HN       ASP  32  -0.795   5.111   4.051
  228    HA   ASP  32           HA       ASP  32   1.576   5.742   5.640
  229    HB2  ASP  32           HB2      ASP  32   1.018   4.009   3.300
  230    HB3  ASP  32           HB1      ASP  32   2.603   4.766   3.346
  231    H    CYS  33           HN       CYS  33  -0.150   6.767   2.778
  232    HA   CYS  33           HA       CYS  33   1.897   8.491   1.790
  233    HB2  CYS  33           HB2      CYS  33  -0.906   7.870   1.118
  234    HB3  CYS  33           HB1      CYS  33  -0.402   9.511   0.736
  235    H    ALA  34           HN       ALA  34   0.982  10.904   1.361
  236    HA   ALA  34           HA       ALA  34   1.152  12.187   3.887
  237    HB1  ALA  34           HB1      ALA  34   0.173  13.724   1.560
  238    HB2  ALA  34           HB2      ALA  34   1.751  12.953   1.396
  239    HB3  ALA  34           HB3      ALA  34   1.460  14.097   2.707
  240    H    ASP  35           HN       ASP  35  -1.480  11.472   1.666
  241    HA   ASP  35           HA       ASP  35  -3.377  12.372   3.735
  242    HB2  ASP  35           HB2      ASP  35  -3.818  12.608   0.754
  243    HB3  ASP  35           HB1      ASP  35  -4.883  13.190   2.030
  244    H    GLY  36           HN       GLY  36  -2.380   9.730   3.461
  245    HA2  GLY  36           HA2      GLY  36  -3.111   7.553   3.308
  246    HA3  GLY  36           HA1      GLY  36  -4.707   8.224   3.600
  247    H    ALA  37           HN       ALA  37  -2.673   8.905   0.819
  248    HA   ALA  37           HA       ALA  37  -4.706   8.534  -1.056
  249    HB1  ALA  37           HB1      ALA  37  -2.698   8.313  -2.674
  250    HB2  ALA  37           HB2      ALA  37  -1.731   8.684  -1.247
  251    HB3  ALA  37           HB3      ALA  37  -2.950   9.827  -1.807
  252    H    ASP  38           HN       ASP  38  -2.273   6.275   0.159
  253    HA   ASP  38           HA       ASP  38  -2.817   4.227  -1.727
  254    HB2  ASP  38           HB2      ASP  38  -1.918   2.828   0.445
  255    HB3  ASP  38           HB1      ASP  38  -0.883   3.582  -0.754
  256    H    GLU  39           HN       GLU  39  -4.301   5.226   1.238
  257    HA   GLU  39           HA       GLU  39  -5.942   2.844   1.449
  258    HB2  GLU  39           HB2      GLU  39  -6.053   5.424   3.016
  259    HB3  GLU  39           HB1      GLU  39  -6.927   3.953   3.400
  260    HG2  GLU  39           HG2      GLU  39  -4.791   4.516   4.704
  261    HG3  GLU  39           HG1      GLU  39  -5.033   2.865   4.144
  262    H    SER  40           HN       SER  40  -6.088   6.044   0.165
  263    HA   SER  40           HA       SER  40  -8.944   6.144  -0.099
  264    HB2  SER  40           HB2      SER  40  -6.655   7.857  -0.960
  265    HB3  SER  40           HB1      SER  40  -8.203   8.057  -1.776
  266    HG   SER  40           HG       SER  40  -7.450   8.757   0.770
  267    H    ILE  41           HN       ILE  41 -10.054   6.247  -2.149
  268    HA   ILE  41           HA       ILE  41  -9.597   4.023  -3.756
  269    HB   ILE  41           HB       ILE  41 -11.744   5.330  -3.469
  270   HG12  ILE  41          HG12      ILE  41 -12.212   4.989  -6.089
  271   HG13  ILE  41          HG11      ILE  41 -10.684   4.128  -5.960
  272   HG21  ILE  41          HG21      ILE  41 -10.704   6.967  -5.765
  273   HG22  ILE  41          HG22      ILE  41 -10.679   7.522  -4.091
  274   HG23  ILE  41          HG23      ILE  41 -12.217   7.171  -4.881
  275   HD11  ILE  41          HD11      ILE  41 -13.178   3.100  -5.450
  276   HD12  ILE  41          HD12      ILE  41 -12.533   3.430  -3.840
  277   HD13  ILE  41          HD13      ILE  41 -11.638   2.395  -4.954
  278    H    ALA  42           HN       ALA  42  -8.214   7.175  -3.884
  279    HA   ALA  42           HA       ALA  42  -7.557   7.492  -6.549
  280    HB1  ALA  42           HB1      ALA  42  -5.541   8.164  -4.456
  281    HB2  ALA  42           HB2      ALA  42  -7.103   8.983  -4.452
  282    HB3  ALA  42           HB3      ALA  42  -6.054   9.093  -5.865
  283    H    ALA  43           HN       ALA  43  -6.292   5.256  -4.226
  284    HA   ALA  43           HA       ALA  43  -4.076   4.503  -5.985
  285    HB1  ALA  43           HB1      ALA  43  -4.704   3.462  -3.230
  286    HB2  ALA  43           HB2      ALA  43  -3.679   4.861  -3.551
  287    HB3  ALA  43           HB3      ALA  43  -3.201   3.265  -4.132
  288    H    GLY  44           HN       GLY  44  -7.248   3.539  -5.160
  289    HA2  GLY  44           HA2      GLY  44  -8.378   1.909  -6.514
  290    HA3  GLY  44           HA1      GLY  44  -6.856   1.038  -6.661
  291    H    CYS  45           HN       CYS  45  -8.087   2.365  -3.671
  292    HA   CYS  45           HA       CYS  45  -7.900  -0.201  -2.397
  293    HB2  CYS  45           HB2      CYS  45  -7.302   2.045  -1.353
  294    HB3  CYS  45           HB1      CYS  45  -9.032   2.330  -1.208
  295    H    LEU  46           HN       LEU  46 -10.252   1.135  -4.282
  296    HA   LEU  46           HA       LEU  46 -12.413   0.582  -4.708
  297    HB2  LEU  46           HB2      LEU  46 -12.195  -1.510  -2.555
  298    HB3  LEU  46           HB1      LEU  46 -13.313  -1.474  -3.903
  299    HG   LEU  46           HG       LEU  46 -11.866  -3.013  -4.723
  300   HD11  LEU  46          HD11      LEU  46 -10.075  -0.721  -5.423
  301   HD12  LEU  46          HD12      LEU  46 -11.701  -0.840  -6.095
  302   HD13  LEU  46          HD13      LEU  46 -10.527  -2.122  -6.393
  303   HD21  LEU  46          HD21      LEU  46 -10.386  -2.390  -2.522
  304   HD22  LEU  46          HD22      LEU  46  -9.292  -1.950  -3.834
  305   HD23  LEU  46          HD23      LEU  46  -9.945  -3.585  -3.740
  306    H    TYR  47           HN       TYR  47 -11.434   2.198  -2.202
  307    HA   TYR  47           HA       TYR  47 -13.918   3.231  -1.472
  308    HB2  TYR  47           HB2      TYR  47 -14.236   2.388   0.774
  309    HB3  TYR  47           HB1      TYR  47 -14.170   1.024  -0.335
  310    HD1  TYR  47           HD2      TYR  47 -12.377   2.826   2.320
  311    HD2  TYR  47           HD1      TYR  47 -12.377  -0.570  -0.239
  312    HE1  TYR  47           HE2      TYR  47 -10.591   1.815   3.673
  313    HE2  TYR  47           HE1      TYR  47 -10.592  -1.591   1.105
  314    HH   TYR  47           HH       TYR  47  -8.850   0.154   3.480
  315    H    ASN  48           HN       ASN  48 -13.497   4.175   1.051
  316    HA   ASN  48           HA       ASN  48 -10.907   5.031   1.659
  317    HB2  ASN  48           HB2      ASN  48 -10.970   6.290  -0.404
  318    HB3  ASN  48           HB1      ASN  48 -12.526   6.988   0.021
  319   HD21  ASN  48          HD21      ASN  48 -11.793   9.085  -0.109
  320   HD22  ASN  48          HD22      ASN  48 -10.712   9.772   1.051
  321    H    SER  49           HN       SER  49 -10.855   6.507   3.451
  322    HA   SER  49           HA       SER  49 -11.636   7.499   5.352
  323    HB2  SER  49           HB2      SER  49 -13.704   7.990   3.462
  324    HB3  SER  49           HB1      SER  49 -14.477   7.511   4.972
  325    HG   SER  49           HG       SER  49 -12.570   9.585   4.624
  326    H    THR  50           HN       THR  50 -13.981   7.033   6.814
  327    HA   THR  50           HA       THR  50 -14.959   5.559   8.241
  328    HB   THR  50           HB       THR  50 -15.661   3.493   7.459
  329    HG1  THR  50           HG1      THR  50 -14.456   2.238   6.006
  330   HG21  THR  50          HG21      THR  50 -15.868   5.487   5.671
  331   HG22  THR  50          HG22      THR  50 -16.548   3.877   5.439
  332   HG23  THR  50          HG23      THR  50 -14.995   4.291   4.713
  333    H    GLY  51           HN       GLY  51 -14.467   3.698   9.711
  334    HA2  GLY  51           HA2      GLY  51 -11.713   3.905  10.558
  335    HA3  GLY  51           HA1      GLY  51 -13.002   3.048  11.390
  336    H    SER  52           HN       SER  52 -13.126   0.882  11.210
  337    HA   SER  52           HA       SER  52 -11.057  -0.426   9.609
  338    HB2  SER  52           HB2      SER  52 -11.208  -2.251  11.066
  339    HB3  SER  52           HB1      SER  52 -11.486  -0.873  12.129
  340    HG   SER  52           HG       SER  52 -13.096  -2.274  12.594
  341    H    GLY  53           HN       GLY  53 -13.212   0.620   8.160
  342    HA2  GLY  53           HA2      GLY  53 -14.964  -1.641   7.563
  343    HA3  GLY  53           HA1      GLY  53 -15.117  -0.011   6.923
  344    H    SER  54           HN       SER  54 -14.409  -3.102   6.106
  345    HA   SER  54           HA       SER  54 -12.184  -2.955   4.437
  346    HB2  SER  54           HB2      SER  54 -13.270  -4.879   3.208
  347    HB3  SER  54           HB1      SER  54 -13.102  -5.101   4.950
  348    HG   SER  54           HG       SER  54 -15.324  -5.146   3.474
  349    H    GLY  55           HN       GLY  55 -15.340  -1.628   4.033
  350    HA2  GLY  55           HA2      GLY  55 -16.162  -0.220   2.409
  351    HA3  GLY  55           HA1      GLY  55 -14.559  -0.211   1.689
  352    H    SER  56           HN       SER  56 -13.999  -2.417   0.620
  353    HA   SER  56           HA       SER  56 -16.168  -2.968  -1.247
  354    HB2  SER  56           HB2      SER  56 -13.904  -2.420  -2.108
  355    HB3  SER  56           HB1      SER  56 -13.281  -3.877  -1.335
  356    HG   SER  56           HG       SER  56 -14.221  -5.088  -2.816
  357    H    GLY  57           HN       GLY  57 -13.744  -4.925   0.504
  358    HA2  GLY  57           HA2      GLY  57 -14.870  -6.658   2.000
  359    HA3  GLY  57           HA1      GLY  57 -15.699  -7.134   0.526
  360    H    SER 129           HN       SER 129 -14.888  -8.936  -0.294
  361    HA   SER 129           HA       SER 129 -12.426 -10.057   0.429
  362    HB2  SER 129           HB2      SER 129 -13.853 -10.668  -2.158
  363    HB3  SER 129           HB1      SER 129 -12.874 -11.752  -1.169
  364    HG   SER 129           HG       SER 129 -14.742 -12.305  -0.373
  365    H    THR 130           HN       THR 130 -13.344  -8.011  -2.282
  366    HA   THR 130           HA       THR 130 -10.990  -8.277  -3.791
  367    HB   THR 130           HB       THR 130 -12.352  -5.645  -3.794
  368    HG1  THR 130           HG1      THR 130 -14.222  -6.447  -4.639
  369   HG21  THR 130          HG21      THR 130 -11.026  -5.834  -5.642
  370   HG22  THR 130          HG22      THR 130 -12.563  -6.422  -6.278
  371   HG23  THR 130          HG23      THR 130 -11.307  -7.568  -5.804
  372    H    GLU 131           HN       GLU 131 -11.723  -6.440  -0.937
  373    HA   GLU 131           HA       GLU 131  -9.675  -4.518  -1.087
  374    HB2  GLU 131           HB2      GLU 131 -11.541  -4.327   0.479
  375    HB3  GLU 131           HB1      GLU 131 -10.988  -5.757   1.339
  376    HG2  GLU 131           HG2      GLU 131  -9.046  -3.552   1.071
  377    HG3  GLU 131           HG1      GLU 131 -10.436  -3.262   2.115
  378    H    GLU 132           HN       GLU 132  -9.736  -7.803   0.209
  379    HA   GLU 132           HA       GLU 132  -6.953  -7.598   1.042
  380    HB2  GLU 132           HB2      GLU 132  -8.637 -10.087   1.166
  381    HB3  GLU 132           HB1      GLU 132  -7.252  -9.653   2.158
  382    HG2  GLU 132           HG2      GLU 132  -9.343  -7.704   2.451
  383    HG3  GLU 132           HG1      GLU 132  -9.957  -9.326   2.763
  384    H    LEU 133           HN       LEU 133  -8.901  -9.044  -1.461
  385    HA   LEU 133           HA       LEU 133  -7.220 -10.969  -2.490
  386    HB2  LEU 133           HB2      LEU 133  -9.392  -9.291  -3.527
  387    HB3  LEU 133           HB1      LEU 133  -8.305  -9.904  -4.755
  388    HG   LEU 133           HG       LEU 133  -8.868 -12.137  -4.318
  389   HD11  LEU 133          HD11      LEU 133  -9.403 -11.151  -1.636
  390   HD12  LEU 133          HD12      LEU 133  -8.942 -12.763  -2.180
  391   HD13  LEU 133          HD13      LEU 133 -10.636 -12.275  -2.208
  392   HD21  LEU 133          HD21      LEU 133 -11.572 -11.209  -3.700
  393   HD22  LEU 133          HD22      LEU 133 -10.965 -12.093  -5.100
  394   HD23  LEU 133          HD23      LEU 133 -10.799 -10.339  -5.026
  395    H    ARG 134           HN       ARG 134  -7.040  -7.482  -2.872
  396    HA   ARG 134           HA       ARG 134  -4.850  -7.726  -4.781
  397    HB2  ARG 134           HB2      ARG 134  -5.031  -5.343  -5.062
  398    HB3  ARG 134           HB1      ARG 134  -6.643  -6.040  -5.122
  399    HG2  ARG 134           HG2      ARG 134  -6.727  -5.444  -2.602
  400    HG3  ARG 134           HG1      ARG 134  -5.388  -4.363  -2.993
  401    HD2  ARG 134           HD2      ARG 134  -8.203  -4.322  -4.033
  402    HD3  ARG 134           HD1      ARG 134  -7.321  -3.045  -3.201
  403    HE   ARG 134           HE       ARG 134  -6.206  -2.536  -5.191
  404   HH11  ARG 134          HH11      ARG 134  -8.396  -5.228  -5.618
  405   HH12  ARG 134          HH12      ARG 134  -8.376  -5.125  -7.345
  406   HH21  ARG 134          HH21      ARG 134  -6.184  -2.409  -7.462
  407   HH22  ARG 134          HH22      ARG 134  -7.122  -3.529  -8.391
  408    H    VAL 135           HN       VAL 135  -5.445  -6.594  -1.493
  409    HA   VAL 135           HA       VAL 135  -2.766  -5.671  -1.096
  410    HB   VAL 135           HB       VAL 135  -4.956  -6.223   0.909
  411   HG11  VAL 135          HG11      VAL 135  -2.284  -4.869   1.215
  412   HG12  VAL 135          HG12      VAL 135  -2.883  -6.286   2.077
  413   HG13  VAL 135          HG13      VAL 135  -3.602  -4.703   2.375
  414   HG21  VAL 135          HG21      VAL 135  -4.088  -3.755  -0.569
  415   HG22  VAL 135          HG22      VAL 135  -5.046  -3.684   0.910
  416   HG23  VAL 135          HG23      VAL 135  -5.687  -4.497  -0.518
  417    H    ARG 136           HN       ARG 136  -4.154  -8.768  -1.100
  418    HA   ARG 136           HA       ARG 136  -2.488  -9.917   0.937
  419    HB2  ARG 136           HB2      ARG 136  -4.524 -10.892  -0.968
  420    HB3  ARG 136           HB1      ARG 136  -3.286 -12.057  -0.521
  421    HG2  ARG 136           HG2      ARG 136  -3.870 -11.980   1.746
  422    HG3  ARG 136           HG1      ARG 136  -4.813 -10.503   1.537
  423    HD2  ARG 136           HD2      ARG 136  -6.374 -12.272   1.744
  424    HD3  ARG 136           HD1      ARG 136  -6.343 -11.825   0.038
  425    HE   ARG 136           HE       ARG 136  -4.547 -13.967   0.669
  426   HH11  ARG 136          HH11      ARG 136  -7.857 -13.178  -0.103
  427   HH12  ARG 136          HH12      ARG 136  -8.214 -14.748  -0.740
  428   HH21  ARG 136          HH21      ARG 136  -5.016 -16.034  -0.165
  429   HH22  ARG 136          HH22      ARG 136  -6.602 -16.370  -0.774
  430    H    LEU 137           HN       LEU 137  -2.632 -10.626  -2.558
  431    HA   LEU 137           HA       LEU 137  -0.245 -11.965  -2.776
  432    HB2  LEU 137           HB2      LEU 137  -1.727 -11.960  -4.624
  433    HB3  LEU 137           HB1      LEU 137  -1.693 -10.212  -4.744
  434    HG   LEU 137           HG       LEU 137  -0.403 -11.622  -6.491
  435   HD11  LEU 137          HD11      LEU 137  -0.212  -9.054  -5.669
  436   HD12  LEU 137          HD12      LEU 137   0.701  -9.739  -7.014
  437   HD13  LEU 137          HD13      LEU 137   1.445  -9.606  -5.420
  438   HD21  LEU 137          HD21      LEU 137   0.783 -12.751  -4.362
  439   HD22  LEU 137          HD22      LEU 137   1.929 -11.449  -4.687
  440   HD23  LEU 137          HD23      LEU 137   1.549 -12.625  -5.946
  441    H    ALA 138           HN       ALA 138  -0.744  -8.470  -3.281
  442    HA   ALA 138           HA       ALA 138   1.864  -7.757  -3.865
  443    HB1  ALA 138           HB1      ALA 138   0.596  -5.941  -4.178
  444    HB2  ALA 138           HB2      ALA 138   1.011  -5.576  -2.503
  445    HB3  ALA 138           HB3      ALA 138  -0.520  -6.366  -2.881
  446    H    SER 139           HN       SER 139   0.571  -8.810  -0.854
  447    HA   SER 139           HA       SER 139   2.579  -7.595   0.797
  448    HB2  SER 139           HB2      SER 139   1.237  -8.238   2.480
  449    HB3  SER 139           HB1      SER 139   0.110  -8.795   1.244
  450    HG   SER 139           HG       SER 139   0.424 -10.603   2.336
  451    H    HIS 140           HN       HIS 140   2.751 -10.039  -1.409
  452    HA   HIS 140           HA       HIS 140   4.173 -12.071  -0.126
  453    HB2  HIS 140           HB2      HIS 140   4.982 -12.651  -2.412
  454    HB3  HIS 140           HB1      HIS 140   3.239 -12.429  -2.312
  455    HD1  HIS 140           HD1      HIS 140   4.518 -12.184  -5.056
  456    HD2  HIS 140           HD2      HIS 140   4.027  -8.969  -2.478
  457    HE1  HIS 140           HE1      HIS 140   4.539 -10.102  -6.495
  458    H    LEU 141           HN       LEU 141   5.238  -8.911  -1.120
  459    HA   LEU 141           HA       LEU 141   7.934  -9.615  -0.199
  460    HB2  LEU 141           HB2      LEU 141   8.039  -9.707  -2.606
  461    HB3  LEU 141           HB1      LEU 141   7.279  -8.131  -2.737
  462    HG   LEU 141           HG       LEU 141   9.540  -7.697  -1.154
  463   HD11  LEU 141          HD11      LEU 141  10.278  -9.967  -1.918
  464   HD12  LEU 141          HD12      LEU 141  11.379  -8.645  -2.311
  465   HD13  LEU 141          HD13      LEU 141  10.331  -9.320  -3.559
  466   HD21  LEU 141          HD21      LEU 141   8.873  -7.162  -4.031
  467   HD22  LEU 141          HD22      LEU 141  10.371  -6.593  -3.293
  468   HD23  LEU 141          HD23      LEU 141   8.815  -6.054  -2.659
  469    H    ARG 142           HN       ARG 142   5.896  -6.883  -1.242
  470    HA   ARG 142           HA       ARG 142   7.203  -4.754  -0.254
  471    HB2  ARG 142           HB2      ARG 142   4.239  -5.167   0.143
  472    HB3  ARG 142           HB1      ARG 142   5.084  -3.628   0.045
  473    HG2  ARG 142           HG2      ARG 142   4.631  -5.624  -2.148
  474    HG3  ARG 142           HG1      ARG 142   4.036  -3.971  -2.041
  475    HD2  ARG 142           HD2      ARG 142   6.757  -4.979  -2.715
  476    HD3  ARG 142           HD1      ARG 142   5.798  -3.730  -3.505
  477    HE   ARG 142           HE       ARG 142   6.332  -2.607  -1.131
  478   HH11  ARG 142          HH11      ARG 142   8.390  -4.214  -3.448
  479   HH12  ARG 142          HH12      ARG 142   9.793  -3.291  -3.029
  480   HH21  ARG 142          HH21      ARG 142   8.177  -1.387  -0.584
  481   HH22  ARG 142          HH22      ARG 142   9.672  -1.684  -1.407
  482    H    LYS 143           HN       LYS 143   4.640  -6.171   1.789
  483    HA   LYS 143           HA       LYS 143   5.912  -5.070   4.136
  484    HB2  LYS 143           HB2      LYS 143   3.427  -6.761   3.845
  485    HB3  LYS 143           HB1      LYS 143   3.965  -6.007   5.340
  486    HG2  LYS 143           HG2      LYS 143   3.305  -4.482   2.835
  487    HG3  LYS 143           HG1      LYS 143   2.161  -4.778   4.145
  488    HD2  LYS 143           HD2      LYS 143   3.993  -3.735   5.651
  489    HD3  LYS 143           HD1      LYS 143   4.639  -3.094   4.139
  490    HE2  LYS 143           HE2      LYS 143   3.232  -1.386   4.440
  491    HE3  LYS 143           HE1      LYS 143   1.957  -2.508   3.965
  492    HZ1  LYS 143           HZ1      LYS 143   1.632  -1.259   6.120
  493    HZ2  LYS 143           HZ2      LYS 143   2.846  -2.239   6.774
  494    HZ3  LYS 143           HZ3      LYS 143   1.420  -2.937   6.189
  495    H    LEU 144           HN       LEU 144   6.545  -7.773   2.397
  496    HA   LEU 144           HA       LEU 144   7.100  -9.421   4.760
  497    HB2  LEU 144           HB2      LEU 144   6.021 -10.050   2.257
  498    HB3  LEU 144           HB1      LEU 144   7.642 -10.719   2.233
  499    HG   LEU 144           HG       LEU 144   5.760 -11.268   4.511
  500   HD11  LEU 144          HD11      LEU 144   5.004 -11.904   2.037
  501   HD12  LEU 144          HD12      LEU 144   4.703 -12.952   3.423
  502   HD13  LEU 144          HD13      LEU 144   6.070 -13.271   2.356
  503   HD21  LEU 144          HD21      LEU 144   8.243 -11.715   4.663
  504   HD22  LEU 144          HD22      LEU 144   8.008 -12.935   3.411
  505   HD23  LEU 144          HD23      LEU 144   7.187 -13.095   4.964
  506    H    ARG 145           HN       ARG 145   8.694  -9.172   1.588
  507    HA   ARG 145           HA       ARG 145  11.275  -9.537   2.792
  508    HB2  ARG 145           HB2      ARG 145  10.439 -10.343   0.472
  509    HB3  ARG 145           HB1      ARG 145  10.841  -8.717  -0.062
  510    HG2  ARG 145           HG2      ARG 145  12.636 -10.344  -0.487
  511    HG3  ARG 145           HG1      ARG 145  13.142  -9.024   0.568
  512    HD2  ARG 145           HD2      ARG 145  12.055 -11.289   2.036
  513    HD3  ARG 145           HD1      ARG 145  13.459 -11.720   1.061
  514    HE   ARG 145           HE       ARG 145  13.484 -10.265   3.470
  515   HH11  ARG 145          HH11      ARG 145  14.970 -10.283   0.312
  516   HH12  ARG 145          HH12      ARG 145  16.428  -9.522   0.856
  517   HH21  ARG 145          HH21      ARG 145  15.400  -9.264   4.187
  518   HH22  ARG 145          HH22      ARG 145  16.672  -8.944   3.055
  519    H    LYS 146           HN       LYS 146  10.098  -6.979   0.595
  520    HA   LYS 146           HA       LYS 146  10.469  -4.732   0.546
  521    HB2  LYS 146           HB2      LYS 146  10.490  -5.373   3.313
  522    HB3  LYS 146           HB1      LYS 146  11.802  -4.237   3.025
  523    HG2  LYS 146           HG2      LYS 146   9.542  -3.301   1.608
  524    HG3  LYS 146           HG1      LYS 146   9.014  -3.731   3.232
  525    HD2  LYS 146           HD2      LYS 146  11.269  -1.866   2.502
  526    HD3  LYS 146           HD1      LYS 146   9.704  -1.412   3.178
  527    HE2  LYS 146           HE2      LYS 146  10.415  -3.078   5.083
  528    HE3  LYS 146           HE1      LYS 146  12.035  -2.726   4.485
  529    HZ1  LYS 146           HZ1      LYS 146  11.890  -1.012   5.903
  530    HZ2  LYS 146           HZ2      LYS 146  10.200  -1.038   5.955
  531    HZ3  LYS 146           HZ3      LYS 146  10.994  -0.271   4.674
  532    H    ARG 147           HN       ARG 147  12.102  -3.463  -0.248
  533    HA   ARG 147           HA       ARG 147  14.783  -4.666  -0.197
  534    HB2  ARG 147           HB2      ARG 147  15.110  -3.040  -2.199
  535    HB3  ARG 147           HB1      ARG 147  14.198  -4.524  -2.433
  536    HG2  ARG 147           HG2      ARG 147  13.124  -2.624  -3.514
  537    HG3  ARG 147           HG1      ARG 147  12.111  -3.299  -2.237
  538    HD2  ARG 147           HD2      ARG 147  12.152  -0.824  -2.244
  539    HD3  ARG 147           HD1      ARG 147  12.735  -1.526  -0.735
  540    HE   ARG 147           HE       ARG 147  14.744  -0.527  -1.116
  541   HH11  ARG 147          HH11      ARG 147  13.057  -0.767  -4.162
  542   HH12  ARG 147          HH12      ARG 147  14.252   0.130  -5.036
  543   HH21  ARG 147          HH21      ARG 147  16.315   0.655  -2.265
  544   HH22  ARG 147          HH22      ARG 147  16.100   0.938  -3.960
  545    H    LEU 148           HN       LEU 148  13.629  -2.893   1.886
  546    HA   LEU 148           HA       LEU 148  15.397  -0.561   1.625
  547    HB2  LEU 148           HB2      LEU 148  13.087  -0.005   2.084
  548    HB3  LEU 148           HB1      LEU 148  13.065  -1.082   3.467
  549    HG   LEU 148           HG       LEU 148  14.766   0.379   4.565
  550   HD11  LEU 148          HD11      LEU 148  15.076   1.438   2.029
  551   HD12  LEU 148          HD12      LEU 148  15.749   2.081   3.526
  552   HD13  LEU 148          HD13      LEU 148  14.213   2.696   2.914
  553   HD21  LEU 148          HD21      LEU 148  13.087   2.370   4.774
  554   HD22  LEU 148          HD22      LEU 148  12.654   0.773   5.384
  555   HD23  LEU 148          HD23      LEU 148  12.033   1.320   3.826
  556    H    LEU 149           HN       LEU 149  14.269  -2.699   4.252
  557    HA   LEU 149           HA       LEU 149  16.698  -2.249   5.742
  558    HB2  LEU 149           HB2      LEU 149  14.441  -4.176   6.296
  559    HB3  LEU 149           HB1      LEU 149  15.698  -3.700   7.422
  560    HG   LEU 149           HG       LEU 149  13.902  -1.610   6.259
  561   HD11  LEU 149          HD11      LEU 149  12.251  -3.078   7.009
  562   HD12  LEU 149          HD12      LEU 149  12.498  -1.980   8.366
  563   HD13  LEU 149          HD13      LEU 149  13.209  -3.594   8.397
  564   HD21  LEU 149          HD21      LEU 149  14.693  -0.300   7.919
  565   HD22  LEU 149          HD22      LEU 149  16.041  -1.435   7.875
  566   HD23  LEU 149          HD23      LEU 149  14.767  -1.626   9.079
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   2.581  10.756   8.449
    2    H2   GLY   1           HT2      GLY   1   2.268  11.812   7.165
    3    H3   GLY   1           HT3      GLY   1   3.586  12.093   8.188
    4    HA2  GLY   1           HA1      GLY   1   3.342  10.307   5.926
    5    HA3  GLY   1           HA2      GLY   1   4.767  11.100   6.579
    6    H    SER   2           HN       SER   2   5.213   8.642   5.797
    7    HA   SER   2           HA       SER   2   5.591   7.198   8.301
    8    HB2  SER   2           HB2      SER   2   4.144   6.084   5.899
    9    HB3  SER   2           HB1      SER   2   4.904   5.045   7.105
   10    HG   SER   2           HG       SER   2   3.544   5.911   8.663
   11    H    LYS   2           HN       LYS   2   6.907   5.076   7.727
   12    HA   LYS   2           HA       LYS   2   9.421   5.827   6.918
   13    HB2  LYS   2           HB2      LYS   2  10.046   3.595   7.081
   14    HB3  LYS   2           HB1      LYS   2   8.630   3.681   8.113
   15    HG2  LYS   2           HG2      LYS   2   8.506   2.762   5.253
   16    HG3  LYS   2           HG1      LYS   2   8.802   1.673   6.606
   17    HD2  LYS   2           HD2      LYS   2   6.456   3.491   6.771
   18    HD3  LYS   2           HD1      LYS   2   6.361   2.114   5.675
   19    HE2  LYS   2           HE2      LYS   2   5.468   1.630   7.930
   20    HE3  LYS   2           HE1      LYS   2   6.811   0.583   7.473
   21    HZ1  LYS   2           HZ1      LYS   2   8.284   1.853   8.838
   22    HZ2  LYS   2           HZ2      LYS   2   6.942   1.430   9.776
   23    HZ3  LYS   2           HZ3      LYS   2   7.088   3.002   9.172
   24    H    LEU   2           HN       LEU   2   6.870   4.379   4.960
   25    HA   LEU   2           HA       LEU   2   6.932   3.737   2.717
   26    HB2  LEU   2           HB2      LEU   2   6.369   6.431   3.303
   27    HB3  LEU   2           HB1      LEU   2   7.276   6.436   1.805
   28    HG   LEU   2           HG       LEU   2   5.661   5.055   0.716
   29   HD11  LEU   2          HD11      LEU   2   4.538   4.679   3.471
   30   HD12  LEU   2          HD12      LEU   2   5.040   3.458   2.302
   31   HD13  LEU   2          HD13      LEU   2   3.571   4.392   2.025
   32   HD21  LEU   2          HD21      LEU   2   4.565   6.956   0.365
   33   HD22  LEU   2          HD22      LEU   2   4.933   7.542   1.987
   34   HD23  LEU   2          HD23      LEU   2   3.518   6.525   1.716
   35    H    GLU   3           HN       GLU   3   9.024   6.565   2.294
   36    HA   GLU   3           HA       GLU   3  10.900   6.826   1.025
   37    HB2  GLU   3           HB2      GLU   3  12.811   5.601   1.788
   38    HB3  GLU   3           HB1      GLU   3  11.778   5.909   3.175
   39    HG2  GLU   3           HG2      GLU   3  11.050   3.675   3.258
   40    HG3  GLU   3           HG1      GLU   3  11.699   3.323   1.658
   41    H    GLY   4           HN       GLY   4  12.714   5.165  -0.151
   42    HA2  GLY   4           HA2      GLY   4  11.432   4.415  -2.526
   43    HA3  GLY   4           HA1      GLY   4  13.059   3.941  -2.062
   44    H    LYS   5           HN       LYS   5   9.909   2.886  -2.630
   45    HA   LYS   5           HA       LYS   5  10.580   0.228  -1.553
   46    HB2  LYS   5           HB2      LYS   5   7.907   1.626  -1.469
   47    HB3  LYS   5           HB1      LYS   5   8.135  -0.082  -1.112
   48    HG2  LYS   5           HG2      LYS   5   9.663   2.029   0.354
   49    HG3  LYS   5           HG1      LYS   5   8.033   1.562   0.841
   50    HD2  LYS   5           HD2      LYS   5   8.889  -0.828   0.873
   51    HD3  LYS   5           HD1      LYS   5  10.509  -0.140   0.743
   52    HE2  LYS   5           HE2      LYS   5  10.448   0.755   2.849
   53    HE3  LYS   5           HE1      LYS   5   8.695   0.925   2.842
   54    HZ1  LYS   5           HZ1      LYS   5   8.975  -0.805   4.289
   55    HZ2  LYS   5           HZ2      LYS   5  10.328  -1.426   3.488
   56    HZ3  LYS   5           HZ3      LYS   5   8.783  -1.663   2.843
   57    H    THR   6           HN       THR   6  11.349  -0.244  -3.693
   58    HA   THR   6           HA       THR   6  11.211  -0.924  -5.858
   59    HB   THR   6           HB       THR   6  10.324  -2.944  -5.399
   60    HG1  THR   6           HG1      THR   6   9.137  -2.731  -7.164
   61   HG21  THR   6          HG21      THR   6   8.482  -3.459  -4.004
   62   HG22  THR   6          HG22      THR   6   7.913  -1.791  -4.037
   63   HG23  THR   6          HG23      THR   6   9.413  -2.193  -3.203
   64    H    CYS   7           HN       CYS   7   7.728  -0.441  -5.405
   65    HA   CYS   7           HA       CYS   7   6.251   1.015  -6.342
   66    HB2  CYS   7           HB2      CYS   7   8.455   2.512  -7.730
   67    HB3  CYS   7           HB1      CYS   7   6.920   3.116  -7.117
   68    H    GLY   8           HN       GLY   8   6.936  -1.414  -7.565
   69    HA2  GLY   8           HA2      GLY   8   6.505  -0.719 -10.404
   70    HA3  GLY   8           HA1      GLY   8   7.565  -2.039  -9.931
   71    HA   PRO   9           HA       PRO   9   3.999  -4.660  -9.841
   72    HB2  PRO   9           HB2      PRO   9   4.702  -6.577  -8.128
   73    HB3  PRO   9           HB1      PRO   9   5.611  -6.317  -9.621
   74    HG2  PRO   9           HG2      PRO   9   6.289  -5.529  -6.826
   75    HG3  PRO   9           HG1      PRO   9   7.354  -6.106  -8.119
   76    HD2  PRO   9           HD2      PRO   9   6.971  -3.436  -7.380
   77    HD3  PRO   9           HD1      PRO   9   7.696  -3.999  -8.898
   78    H    SER  10           HN       SER  10   2.086  -4.016  -9.031
   79    HA   SER  10           HA       SER  10   0.427  -3.482  -7.567
   80    HB2  SER  10           HB2      SER  10   2.050  -5.277  -5.746
   81    HB3  SER  10           HB1      SER  10   0.422  -4.702  -5.388
   82    HG   SER  10           HG       SER  10  -0.388  -6.019  -6.862
   83    H    SER  11           HN       SER  11   1.953  -1.419  -7.853
   84    HA   SER  11           HA       SER  11   2.381  -0.378  -5.135
   85    HB2  SER  11           HB2      SER  11   4.070   0.386  -7.520
   86    HB3  SER  11           HB1      SER  11   4.348   0.796  -5.828
   87    HG   SER  11           HG       SER  11   4.399  -1.825  -6.919
   88    H    PHE  12           HN       PHE  12   2.176   1.940  -4.933
   89    HA   PHE  12           HA       PHE  12   0.744   3.285  -7.100
   90    HB2  PHE  12           HB2      PHE  12  -1.094   2.513  -5.822
   91    HB3  PHE  12           HB1      PHE  12  -0.290   2.879  -4.300
   92    HD1  PHE  12           HD1      PHE  12  -1.405   4.648  -7.392
   93    HD2  PHE  12           HD2      PHE  12  -0.985   4.739  -3.157
   94    HE1  PHE  12           HE1      PHE  12  -2.509   6.846  -7.335
   95    HE2  PHE  12           HE2      PHE  12  -2.093   6.936  -3.091
   96    HZ   PHE  12           HZ       PHE  12  -2.856   7.992  -5.182
   97    H    SER  13           HN       SER  13   1.776   5.133  -7.482
   98    HA   SER  13           HA       SER  13   3.673   6.242  -5.697
   99    HB2  SER  13           HB2      SER  13   4.101   6.690  -7.957
  100    HB3  SER  13           HB1      SER  13   2.437   7.176  -8.268
  101    HG   SER  13           HG       SER  13   2.879   9.133  -7.610
  102    H    CYS  14           HN       CYS  14   3.344   7.481  -3.979
  103    HA   CYS  14           HA       CYS  14   0.830   8.295  -3.093
  104    HB2  CYS  14           HB2      CYS  14   3.632   8.924  -2.308
  105    HB3  CYS  14           HB1      CYS  14   2.353   9.947  -1.670
  106    HA   PRO  15           HA       PRO  15   0.056  11.704  -5.900
  107    HB2  PRO  15           HB2      PRO  15  -1.944  12.333  -3.791
  108    HB3  PRO  15           HB1      PRO  15  -2.159  12.180  -5.536
  109    HG2  PRO  15           HG2      PRO  15  -2.996  10.260  -3.902
  110    HG3  PRO  15           HG1      PRO  15  -2.244   9.864  -5.459
  111    HD2  PRO  15           HD2      PRO  15  -1.088   9.726  -2.707
  112    HD3  PRO  15           HD1      PRO  15  -0.853   8.635  -4.086
  113    H    GLY  16           HN       GLY  16   1.133  13.565  -5.969
  114    HA2  GLY  16           HA2      GLY  16   1.703  15.726  -5.269
  115    HA3  GLY  16           HA1      GLY  16   1.164  15.321  -3.648
  116    H    THR  17           HN       THR  17   2.771  12.858  -3.558
  117    HA   THR  17           HA       THR  17   5.405  14.116  -3.175
  118    HB   THR  17           HB       THR  17   5.738  12.214  -1.510
  119    HG1  THR  17           HG1      THR  17   3.720  11.161  -2.434
  120   HG21  THR  17          HG21      THR  17   5.392  13.907  -0.125
  121   HG22  THR  17          HG22      THR  17   3.713  13.373  -0.039
  122   HG23  THR  17          HG23      THR  17   4.182  14.627  -1.186
  123    H    HIS  18           HN       HIS  18   7.184  13.222  -4.067
  124    HA   HIS  18           HA       HIS  18   6.994  11.528  -6.266
  125    HB2  HIS  18           HB2      HIS  18   9.494  11.257  -5.975
  126    HB3  HIS  18           HB1      HIS  18   8.920  12.919  -6.059
  127    HD1  HIS  18           HD1      HIS  18  10.636  10.517  -3.797
  128    HD2  HIS  18           HD2      HIS  18   9.025  14.342  -3.626
  129    HE1  HIS  18           HE1      HIS  18  11.499  11.557  -1.658
  130    H    VAL  19           HN       VAL  19   7.109  10.797  -2.910
  131    HA   VAL  19           HA       VAL  19   8.198   8.244  -2.874
  132    HB   VAL  19           HB       VAL  19   7.716   9.411  -0.827
  133   HG11  VAL  19          HG11      VAL  19   4.844   9.016  -0.729
  134   HG12  VAL  19          HG12      VAL  19   5.332  10.101  -2.030
  135   HG13  VAL  19          HG13      VAL  19   5.804  10.450  -0.367
  136   HG21  VAL  19          HG21      VAL  19   6.617   7.657   0.462
  137   HG22  VAL  19          HG22      VAL  19   7.726   6.965  -0.722
  138   HG23  VAL  19          HG23      VAL  19   5.988   6.946  -1.023
  139    H    CYS  20           HN       CYS  20   7.212   6.164  -2.815
  140    HA   CYS  20           HA       CYS  20   4.614   5.996  -4.177
  141    HB2  CYS  20           HB2      CYS  20   5.895   3.696  -4.978
  142    HB3  CYS  20           HB1      CYS  20   5.695   5.146  -5.953
  143    H    VAL  21           HN       VAL  21   3.157   4.835  -3.156
  144    HA   VAL  21           HA       VAL  21   4.019   3.157  -0.911
  145    HB   VAL  21           HB       VAL  21   2.519   4.888  -0.237
  146   HG11  VAL  21          HG11      VAL  21   0.149   4.865  -1.253
  147   HG12  VAL  21          HG12      VAL  21   0.899   4.001  -2.592
  148   HG13  VAL  21          HG13      VAL  21   1.455   5.619  -2.165
  149   HG21  VAL  21          HG21      VAL  21   2.179   2.553   0.672
  150   HG22  VAL  21          HG22      VAL  21   0.799   2.427  -0.420
  151   HG23  VAL  21          HG23      VAL  21   0.814   3.657   0.843
  152    HA   PRO  22           HA       PRO  22   3.030  -0.519  -3.247
  153    HB2  PRO  22           HB2      PRO  22   2.591  -1.700  -0.564
  154    HB3  PRO  22           HB1      PRO  22   3.671  -2.217  -1.860
  155    HG2  PRO  22           HG2      PRO  22   4.626  -1.034   0.333
  156    HG3  PRO  22           HG1      PRO  22   5.330  -0.718  -1.259
  157    HD2  PRO  22           HD2      PRO  22   3.479   0.972   0.366
  158    HD3  PRO  22           HD1      PRO  22   4.855   1.454  -0.647
  159    H    GLU  23           HN       GLU  23   1.228  -1.861  -3.696
  160    HA   GLU  23           HA       GLU  23  -1.287  -0.660  -3.350
  161    HB2  GLU  23           HB2      GLU  23  -0.271  -2.656  -4.946
  162    HB3  GLU  23           HB1      GLU  23  -1.375  -3.535  -3.902
  163    HG2  GLU  23           HG2      GLU  23  -3.225  -2.385  -4.671
  164    HG3  GLU  23           HG1      GLU  23  -2.262  -1.029  -5.256
  165    H    ARG  24           HN       ARG  24   0.371  -3.164  -1.526
  166    HA   ARG  24           HA       ARG  24  -1.914  -3.942  -0.002
  167    HB2  ARG  24           HB2      ARG  24   0.003  -5.437  -0.240
  168    HB3  ARG  24           HB1      ARG  24   1.033  -4.277   0.584
  169    HG2  ARG  24           HG2      ARG  24  -1.389  -5.247   1.992
  170    HG3  ARG  24           HG1      ARG  24  -0.020  -6.343   1.826
  171    HD2  ARG  24           HD2      ARG  24   1.243  -5.185   3.282
  172    HD3  ARG  24           HD1      ARG  24   0.678  -3.630   2.683
  173    HE   ARG  24           HE       ARG  24  -1.107  -3.708   4.190
  174   HH11  ARG  24          HH11      ARG  24   0.904  -6.556   4.445
  175   HH12  ARG  24          HH12      ARG  24   0.243  -7.032   5.972
  176   HH21  ARG  24          HH21      ARG  24  -1.971  -4.340   6.193
  177   HH22  ARG  24          HH22      ARG  24  -1.386  -5.778   6.963
  178    H    TRP  25           HN       TRP  25   0.393  -1.383   0.165
  179    HA   TRP  25           HA       TRP  25  -0.155  -0.722   2.922
  180    HB2  TRP  25           HB2      TRP  25   1.388   0.736   0.768
  181    HB3  TRP  25           HB1      TRP  25   1.285   1.258   2.447
  182    HD1  TRP  25           HD1      TRP  25   1.759  -2.449   1.623
  183    HE1  TRP  25           HE1      TRP  25   4.099  -3.174   2.406
  184    HE3  TRP  25           HE3      TRP  25   3.648   2.131   2.873
  185    HZ2  TRP  25           HZ2      TRP  25   6.442  -1.964   3.408
  186    HZ3  TRP  25           HZ3      TRP  25   5.948   2.262   3.735
  187    HH2  TRP  25           HH2      TRP  25   7.314   0.255   4.000
  188    H    LEU  26           HN       LEU  26  -1.932  -0.423   0.185
  189    HA   LEU  26           HA       LEU  26  -2.833   2.272   0.362
  190    HB2  LEU  26           HB2      LEU  26  -3.574  -0.155  -1.154
  191    HB3  LEU  26           HB1      LEU  26  -4.843   1.020  -0.930
  192    HG   LEU  26           HG       LEU  26  -3.794   2.616  -2.233
  193   HD11  LEU  26          HD11      LEU  26  -1.672   3.066  -1.712
  194   HD12  LEU  26          HD12      LEU  26  -1.256   1.864  -2.934
  195   HD13  LEU  26          HD13      LEU  26  -1.342   1.401  -1.236
  196   HD21  LEU  26          HD21      LEU  26  -4.419   1.209  -3.889
  197   HD22  LEU  26          HD22      LEU  26  -3.478  -0.139  -3.248
  198   HD23  LEU  26          HD23      LEU  26  -2.677   1.145  -4.154
  199    H    CYS  27           HN       CYS  27  -4.536  -0.780   1.046
  200    HA   CYS  27           HA       CYS  27  -6.174   0.679   3.015
  201    HB2  CYS  27           HB2      CYS  27  -7.071  -1.972   2.011
  202    HB3  CYS  27           HB1      CYS  27  -8.013  -0.543   2.415
  203    H    ASP  28           HN       ASP  28  -3.645  -0.268   3.786
  204    HA   ASP  28           HA       ASP  28  -3.865  -2.833   5.028
  205    HB2  ASP  28           HB2      ASP  28  -1.693  -2.384   5.968
  206    HB3  ASP  28           HB1      ASP  28  -1.701  -1.828   4.299
  207    H    GLY  29           HN       GLY  29  -4.718   0.390   5.935
  208    HA2  GLY  29           HA2      GLY  29  -6.355   0.560   7.752
  209    HA3  GLY  29           HA1      GLY  29  -5.381  -0.603   8.636
  210    H    ASP  30           HN       ASP  30  -3.821   1.904   6.836
  211    HA   ASP  30           HA       ASP  30  -3.696   3.855   8.893
  212    HB2  ASP  30           HB2      ASP  30  -1.567   1.777   8.764
  213    HB3  ASP  30           HB1      ASP  30  -1.059   3.441   9.035
  214    H    LYS  31           HN       LYS  31  -3.618   5.650   7.713
  215    HA   LYS  31           HA       LYS  31  -2.991   5.835   5.036
  216    HB2  LYS  31           HB2      LYS  31  -2.810   7.967   7.165
  217    HB3  LYS  31           HB1      LYS  31  -2.733   8.289   5.441
  218    HG2  LYS  31           HG2      LYS  31  -4.967   7.486   5.128
  219    HG3  LYS  31           HG1      LYS  31  -5.056   6.955   6.809
  220    HD2  LYS  31           HD2      LYS  31  -5.376   9.062   7.600
  221    HD3  LYS  31           HD1      LYS  31  -4.388   9.800   6.337
  222    HE2  LYS  31           HE2      LYS  31  -6.317  10.460   5.427
  223    HE3  LYS  31           HE1      LYS  31  -6.518   8.780   4.932
  224    HZ1  LYS  31           HZ1      LYS  31  -8.301  10.100   6.389
  225    HZ2  LYS  31           HZ2      LYS  31  -7.376   9.422   7.633
  226    HZ3  LYS  31           HZ3      LYS  31  -8.098   8.423   6.476
  227    H    ASP  32           HN       ASP  32  -1.154   5.165   4.170
  228    HA   ASP  32           HA       ASP  32   1.390   5.539   5.481
  229    HB2  ASP  32           HB2      ASP  32   0.723   4.408   2.756
  230    HB3  ASP  32           HB1      ASP  32   2.302   4.350   3.528
  231    H    CYS  33           HN       CYS  33  -0.298   6.796   2.648
  232    HA   CYS  33           HA       CYS  33   1.832   8.363   1.660
  233    HB2  CYS  33           HB2      CYS  33  -1.133   8.334   1.244
  234    HB3  CYS  33           HB1      CYS  33  -0.199   9.687   0.626
  235    H    ALA  34           HN       ALA  34   1.101  10.895   1.357
  236    HA   ALA  34           HA       ALA  34   1.685  12.059   3.870
  237    HB1  ALA  34           HB1      ALA  34   0.987  14.195   2.443
  238    HB2  ALA  34           HB2      ALA  34   1.183  13.039   1.125
  239    HB3  ALA  34           HB3      ALA  34   2.527  13.364   2.221
  240    H    ASP  35           HN       ASP  35  -1.287  11.903   1.929
  241    HA   ASP  35           HA       ASP  35  -2.759  12.832   4.307
  242    HB2  ASP  35           HB2      ASP  35  -2.559  14.287   2.037
  243    HB3  ASP  35           HB1      ASP  35  -3.989  13.329   1.664
  244    H    GLY  36           HN       GLY  36  -2.215  10.104   3.657
  245    HA2  GLY  36           HA2      GLY  36  -3.344   8.100   3.630
  246    HA3  GLY  36           HA1      GLY  36  -4.805   9.023   3.937
  247    H    ALA  37           HN       ALA  37  -2.958   9.782   1.117
  248    HA   ALA  37           HA       ALA  37  -5.070   9.406  -0.661
  249    HB1  ALA  37           HB1      ALA  37  -3.520  10.700  -1.668
  250    HB2  ALA  37           HB2      ALA  37  -2.941   9.157  -2.297
  251    HB3  ALA  37           HB3      ALA  37  -2.171   9.878  -0.883
  252    H    ASP  38           HN       ASP  38  -2.573   7.218   0.446
  253    HA   ASP  38           HA       ASP  38  -2.902   5.167  -1.438
  254    HB2  ASP  38           HB2      ASP  38  -1.757   3.747   0.157
  255    HB3  ASP  38           HB1      ASP  38  -1.018   5.339   0.184
  256    H    GLU  39           HN       GLU  39  -4.541   5.852   1.614
  257    HA   GLU  39           HA       GLU  39  -6.167   3.487   1.505
  258    HB2  GLU  39           HB2      GLU  39  -6.706   5.951   3.153
  259    HB3  GLU  39           HB1      GLU  39  -7.233   4.305   3.472
  260    HG2  GLU  39           HG2      GLU  39  -4.635   3.866   3.531
  261    HG3  GLU  39           HG1      GLU  39  -4.598   5.581   3.928
  262    H    SER  40           HN       SER  40  -6.327   6.700   0.268
  263    HA   SER  40           HA       SER  40  -9.152   6.779  -0.139
  264    HB2  SER  40           HB2      SER  40  -6.967   8.386  -1.476
  265    HB3  SER  40           HB1      SER  40  -8.688   8.757  -1.516
  266    HG   SER  40           HG       SER  40  -7.514   9.943   0.091
  267    H    ILE  41           HN       ILE  41 -10.215   6.763  -2.200
  268    HA   ILE  41           HA       ILE  41  -9.712   4.485  -3.705
  269    HB   ILE  41           HB       ILE  41 -11.874   5.725  -3.570
  270   HG12  ILE  41          HG12      ILE  41 -12.324   5.404  -6.125
  271   HG13  ILE  41          HG11      ILE  41 -10.679   4.783  -6.145
  272   HG21  ILE  41          HG21      ILE  41 -10.654   7.493  -5.680
  273   HG22  ILE  41          HG22      ILE  41 -10.933   7.968  -4.004
  274   HG23  ILE  41          HG23      ILE  41 -12.299   7.576  -5.049
  275   HD11  ILE  41          HD11      ILE  41 -12.692   3.170  -5.833
  276   HD12  ILE  41          HD12      ILE  41 -12.618   3.715  -4.157
  277   HD13  ILE  41          HD13      ILE  41 -11.216   2.939  -4.895
  278    H    ALA  42           HN       ALA  42  -8.483   7.723  -4.038
  279    HA   ALA  42           HA       ALA  42  -7.669   7.822  -6.668
  280    HB1  ALA  42           HB1      ALA  42  -6.445   8.907  -4.155
  281    HB2  ALA  42           HB2      ALA  42  -7.340   9.762  -5.412
  282    HB3  ALA  42           HB3      ALA  42  -5.704   9.185  -5.731
  283    H    ALA  43           HN       ALA  43  -6.415   5.923  -4.051
  284    HA   ALA  43           HA       ALA  43  -4.035   5.132  -5.522
  285    HB1  ALA  43           HB1      ALA  43  -3.368   4.003  -3.535
  286    HB2  ALA  43           HB2      ALA  43  -4.993   4.110  -2.860
  287    HB3  ALA  43           HB3      ALA  43  -4.021   5.568  -3.053
  288    H    GLY  44           HN       GLY  44  -7.224   3.987  -4.807
  289    HA2  GLY  44           HA2      GLY  44  -8.190   2.337  -6.293
  290    HA3  GLY  44           HA1      GLY  44  -6.627   1.531  -6.327
  291    H    CYS  45           HN       CYS  45  -8.285   2.794  -3.488
  292    HA   CYS  45           HA       CYS  45  -8.054   0.216  -2.195
  293    HB2  CYS  45           HB2      CYS  45  -8.411   2.982  -1.372
  294    HB3  CYS  45           HB1      CYS  45  -9.501   1.905  -0.508
  295    H    LEU  46           HN       LEU  46 -10.184   1.302  -4.366
  296    HA   LEU  46           HA       LEU  46 -12.299   0.756  -4.969
  297    HB2  LEU  46           HB2      LEU  46 -12.171  -1.332  -2.800
  298    HB3  LEU  46           HB1      LEU  46 -13.225  -1.323  -4.200
  299    HG   LEU  46           HG       LEU  46 -11.649  -2.865  -4.841
  300   HD11  LEU  46          HD11      LEU  46 -10.357  -0.303  -5.758
  301   HD12  LEU  46          HD12      LEU  46 -11.766  -1.052  -6.509
  302   HD13  LEU  46          HD13      LEU  46 -10.214  -1.890  -6.513
  303   HD21  LEU  46          HD21      LEU  46 -10.147  -1.796  -2.772
  304   HD22  LEU  46          HD22      LEU  46  -9.144  -1.572  -4.203
  305   HD23  LEU  46          HD23      LEU  46  -9.725  -3.180  -3.777
  306    H    TYR  47           HN       TYR  47 -11.655   2.500  -2.520
  307    HA   TYR  47           HA       TYR  47 -14.191   3.449  -1.988
  308    HB2  TYR  47           HB2      TYR  47 -14.576   2.643   0.332
  309    HB3  TYR  47           HB1      TYR  47 -14.671   1.350  -0.855
  310    HD1  TYR  47           HD1      TYR  47 -12.170   2.964   1.409
  311    HD2  TYR  47           HD2      TYR  47 -13.558  -0.626  -0.406
  312    HE1  TYR  47           HE1      TYR  47 -10.504   1.688   2.679
  313    HE2  TYR  47           HE2      TYR  47 -11.897  -1.915   0.868
  314    HH   TYR  47           HH       TYR  47 -10.125  -0.578   3.463
  315    H    ASN  48           HN       ASN  48 -14.058   4.481   0.502
  316    HA   ASN  48           HA       ASN  48 -11.542   5.336   1.389
  317    HB2  ASN  48           HB2      ASN  48 -11.387   6.539  -0.706
  318    HB3  ASN  48           HB1      ASN  48 -12.963   7.267  -0.447
  319   HD21  ASN  48          HD21      ASN  48 -10.110   6.838   1.610
  320   HD22  ASN  48          HD22      ASN  48  -9.938   8.508   2.012
  321    H    SER  49           HN       SER  49 -13.490   4.412   2.840
  322    HA   SER  49           HA       SER  49 -14.037   6.402   4.734
  323    HB2  SER  49           HB2      SER  49 -15.707   6.895   2.763
  324    HB3  SER  49           HB1      SER  49 -16.606   5.542   3.450
  325    HG   SER  49           HG       SER  49 -15.862   7.955   4.741
  326    H    THR  50           HN       THR  50 -16.392   5.366   5.881
  327    HA   THR  50           HA       THR  50 -17.082   3.734   7.302
  328    HB   THR  50           HB       THR  50 -17.318   1.569   6.451
  329    HG1  THR  50           HG1      THR  50 -15.099   1.978   4.740
  330   HG21  THR  50          HG21      THR  50 -18.130   1.775   4.317
  331   HG22  THR  50          HG22      THR  50 -16.842   2.872   3.816
  332   HG23  THR  50          HG23      THR  50 -18.139   3.452   4.862
  333    H    GLY  51           HN       GLY  51 -16.016   1.293   8.061
  334    HA2  GLY  51           HA2      GLY  51 -14.085   2.031   9.935
  335    HA3  GLY  51           HA1      GLY  51 -14.448   0.377   9.465
  336    H    SER  52           HN       SER  52 -11.982   0.560  10.091
  337    HA   SER  52           HA       SER  52 -10.345   1.389   7.830
  338    HB2  SER  52           HB2      SER  52  -9.344   1.995   9.863
  339    HB3  SER  52           HB1      SER  52  -9.740   0.455  10.624
  340    HG   SER  52           HG       SER  52  -7.483   1.083   9.520
  341    H    GLY  53           HN       GLY  53  -9.223   0.029   6.497
  342    HA2  GLY  53           HA2      GLY  53  -8.660  -1.912   5.408
  343    HA3  GLY  53           HA1      GLY  53  -8.793  -2.718   6.964
  344    H    SER  54           HN       SER  54  -9.735  -3.190   4.034
  345    HA   SER  54           HA       SER  54 -11.434  -4.314   3.027
  346    HB2  SER  54           HB2      SER  54 -13.010  -4.940   5.403
  347    HB3  SER  54           HB1      SER  54 -12.238  -6.024   4.246
  348    HG   SER  54           HG       SER  54 -10.533  -6.170   5.499
  349    H    GLY  55           HN       GLY  55 -13.061  -3.440   1.930
  350    HA2  GLY  55           HA2      GLY  55 -15.151  -1.971   3.336
  351    HA3  GLY  55           HA1      GLY  55 -14.204  -1.057   2.172
  352    H    SER  56           HN       SER  56 -13.864  -2.936   0.173
  353    HA   SER  56           HA       SER  56 -16.492  -2.892  -1.026
  354    HB2  SER  56           HB2      SER  56 -14.171  -2.413  -2.149
  355    HB3  SER  56           HB1      SER  56 -14.107  -4.167  -2.325
  356    HG   SER  56           HG       SER  56 -15.247  -3.785  -4.052
  357    H    GLY  57           HN       GLY  57 -14.030  -5.432  -0.519
  358    HA2  GLY  57           HA2      GLY  57 -15.614  -7.340   0.651
  359    HA3  GLY  57           HA1      GLY  57 -15.895  -7.537  -1.072
  360    H    SER 129           HN       SER 129 -14.945  -9.541  -1.245
  361    HA   SER 129           HA       SER 129 -12.499 -10.320  -0.147
  362    HB2  SER 129           HB2      SER 129 -13.585 -11.313  -2.785
  363    HB3  SER 129           HB1      SER 129 -12.573 -12.187  -1.635
  364    HG   SER 129           HG       SER 129 -14.279 -12.649  -0.480
  365    H    THR 130           HN       THR 130 -13.237  -8.608  -3.124
  366    HA   THR 130           HA       THR 130 -10.793  -8.822  -4.428
  367    HB   THR 130           HB       THR 130 -12.523  -6.348  -4.405
  368    HG1  THR 130           HG1      THR 130 -14.009  -7.578  -5.197
  369   HG21  THR 130          HG21      THR 130 -11.839  -6.521  -6.912
  370   HG22  THR 130          HG22      THR 130 -10.480  -7.443  -6.266
  371   HG23  THR 130          HG23      THR 130 -10.753  -5.782  -5.734
  372    H    GLU 131           HN       GLU 131 -11.722  -6.867  -1.697
  373    HA   GLU 131           HA       GLU 131  -9.643  -4.987  -1.751
  374    HB2  GLU 131           HB2      GLU 131 -11.792  -5.240  -0.217
  375    HB3  GLU 131           HB1      GLU 131 -10.638  -6.006   0.867
  376    HG2  GLU 131           HG2      GLU 131 -10.965  -3.591   1.289
  377    HG3  GLU 131           HG1      GLU 131  -9.295  -4.036   0.943
  378    H    GLU 132           HN       GLU 132  -9.868  -7.797   0.429
  379    HA   GLU 132           HA       GLU 132  -7.193  -7.753   1.231
  380    HB2  GLU 132           HB2      GLU 132  -8.753 -10.314   1.015
  381    HB3  GLU 132           HB1      GLU 132  -7.573  -9.846   2.231
  382    HG2  GLU 132           HG2      GLU 132  -9.689  -7.979   2.350
  383    HG3  GLU 132           HG1      GLU 132 -10.403  -9.588   2.286
  384    H    LEU 133           HN       LEU 133  -8.710  -9.032  -1.611
  385    HA   LEU 133           HA       LEU 133  -6.824 -10.870  -2.486
  386    HB2  LEU 133           HB2      LEU 133  -8.941  -9.238  -3.711
  387    HB3  LEU 133           HB1      LEU 133  -7.684  -9.752  -4.817
  388    HG   LEU 133           HG       LEU 133  -8.221 -12.004  -4.597
  389   HD11  LEU 133          HD11      LEU 133  -8.374 -12.751  -2.495
  390   HD12  LEU 133          HD12      LEU 133 -10.099 -12.424  -2.655
  391   HD13  LEU 133          HD13      LEU 133  -9.042 -11.231  -1.901
  392   HD21  LEU 133          HD21      LEU 133 -10.355 -12.088  -5.377
  393   HD22  LEU 133          HD22      LEU 133 -10.104 -10.343  -5.462
  394   HD23  LEU 133          HD23      LEU 133 -10.982 -11.043  -4.100
  395    H    ARG 134           HN       ARG 134  -6.992  -7.377  -3.159
  396    HA   ARG 134           HA       ARG 134  -4.477  -7.425  -4.573
  397    HB2  ARG 134           HB2      ARG 134  -4.833  -5.085  -4.955
  398    HB3  ARG 134           HB1      ARG 134  -6.361  -5.918  -5.198
  399    HG2  ARG 134           HG2      ARG 134  -7.200  -5.149  -3.101
  400    HG3  ARG 134           HG1      ARG 134  -5.621  -4.516  -2.642
  401    HD2  ARG 134           HD2      ARG 134  -7.639  -3.055  -3.765
  402    HD3  ARG 134           HD1      ARG 134  -5.935  -2.609  -3.767
  403    HE   ARG 134           HE       ARG 134  -6.984  -4.206  -5.987
  404   HH11  ARG 134          HH11      ARG 134  -5.728  -1.158  -4.819
  405   HH12  ARG 134          HH12      ARG 134  -5.420  -0.542  -6.406
  406   HH21  ARG 134          HH21      ARG 134  -6.575  -3.388  -8.067
  407   HH22  ARG 134          HH22      ARG 134  -5.900  -1.803  -8.246
  408    H    VAL 135           HN       VAL 135  -5.565  -6.725  -1.346
  409    HA   VAL 135           HA       VAL 135  -3.096  -5.397  -0.620
  410    HB   VAL 135           HB       VAL 135  -5.390  -6.232   1.156
  411   HG11  VAL 135          HG11      VAL 135  -3.095  -4.333   1.616
  412   HG12  VAL 135          HG12      VAL 135  -3.374  -5.871   2.432
  413   HG13  VAL 135          HG13      VAL 135  -4.480  -4.523   2.691
  414   HG21  VAL 135          HG21      VAL 135  -5.027  -3.984  -0.688
  415   HG22  VAL 135          HG22      VAL 135  -5.537  -3.526   0.937
  416   HG23  VAL 135          HG23      VAL 135  -6.503  -4.664  -0.002
  417    H    ARG 136           HN       ARG 136  -4.127  -8.604  -0.862
  418    HA   ARG 136           HA       ARG 136  -2.500  -9.593   1.332
  419    HB2  ARG 136           HB2      ARG 136  -4.339 -10.849  -0.670
  420    HB3  ARG 136           HB1      ARG 136  -3.180 -11.851   0.192
  421    HG2  ARG 136           HG2      ARG 136  -4.156 -11.375   2.277
  422    HG3  ARG 136           HG1      ARG 136  -5.091 -10.030   1.619
  423    HD2  ARG 136           HD2      ARG 136  -6.760 -11.534   1.548
  424    HD3  ARG 136           HD1      ARG 136  -5.968 -12.067   0.066
  425    HE   ARG 136           HE       ARG 136  -5.457 -14.023   1.115
  426   HH11  ARG 136          HH11      ARG 136  -6.096 -11.612   3.556
  427   HH12  ARG 136          HH12      ARG 136  -5.977 -12.731   4.871
  428   HH21  ARG 136          HH21      ARG 136  -5.301 -15.497   2.844
  429   HH22  ARG 136          HH22      ARG 136  -5.525 -14.937   4.468
  430    H    LEU 137           HN       LEU 137  -2.564  -9.988  -2.210
  431    HA   LEU 137           HA       LEU 137  -0.232 -11.454  -2.493
  432    HB2  LEU 137           HB2      LEU 137  -1.769 -11.130  -4.328
  433    HB3  LEU 137           HB1      LEU 137  -1.450  -9.408  -4.344
  434    HG   LEU 137           HG       LEU 137  -0.361 -10.860  -6.159
  435   HD11  LEU 137          HD11      LEU 137   0.273  -8.460  -5.153
  436   HD12  LEU 137          HD12      LEU 137   1.159  -9.225  -6.472
  437   HD13  LEU 137          HD13      LEU 137   1.773  -9.326  -4.822
  438   HD21  LEU 137          HD21      LEU 137   1.327 -12.279  -5.677
  439   HD22  LEU 137          HD22      LEU 137   0.505 -12.382  -4.120
  440   HD23  LEU 137          HD23      LEU 137   1.895 -11.314  -4.314
  441    H    ALA 138           HN       ALA 138  -0.593  -7.913  -2.692
  442    HA   ALA 138           HA       ALA 138   2.094  -7.308  -3.103
  443    HB1  ALA 138           HB1      ALA 138   0.910  -5.441  -3.470
  444    HB2  ALA 138           HB2      ALA 138   1.253  -5.123  -1.770
  445    HB3  ALA 138           HB3      ALA 138  -0.293  -5.832  -2.241
  446    H    SER 139           HN       SER 139   0.494  -8.352  -0.233
  447    HA   SER 139           HA       SER 139   2.406  -7.292   1.619
  448    HB2  SER 139           HB2      SER 139   0.639  -7.760   2.932
  449    HB3  SER 139           HB1      SER 139  -0.048  -8.860   1.740
  450    HG   SER 139           HG       SER 139   0.447 -10.073   3.517
  451    H    HIS 140           HN       HIS 140   2.563  -9.756  -0.629
  452    HA   HIS 140           HA       HIS 140   3.872 -11.827   0.665
  453    HB2  HIS 140           HB2      HIS 140   4.693 -12.488  -1.520
  454    HB3  HIS 140           HB1      HIS 140   3.026 -11.941  -1.648
  455    HD1  HIS 140           HD1      HIS 140   3.818  -8.819  -1.750
  456    HD2  HIS 140           HD2      HIS 140   5.351 -11.872  -4.105
  457    HE1  HIS 140           HE1      HIS 140   4.696  -7.720  -3.848
  458    H    LEU 141           HN       LEU 141   5.161  -8.745  -0.447
  459    HA   LEU 141           HA       LEU 141   7.681  -9.427   0.885
  460    HB2  LEU 141           HB2      LEU 141   8.115  -9.848  -1.435
  461    HB3  LEU 141           HB1      LEU 141   7.410  -8.311  -1.898
  462    HG   LEU 141           HG       LEU 141   9.444  -7.606  -0.141
  463   HD11  LEU 141          HD11      LEU 141  10.327  -9.874  -1.909
  464   HD12  LEU 141          HD12      LEU 141  10.409  -9.787  -0.149
  465   HD13  LEU 141          HD13      LEU 141  11.427  -8.734  -1.132
  466   HD21  LEU 141          HD21      LEU 141   9.057  -7.557  -3.093
  467   HD22  LEU 141          HD22      LEU 141  10.614  -7.072  -2.421
  468   HD23  LEU 141          HD23      LEU 141   9.144  -6.222  -1.942
  469    H    ARG 142           HN       ARG 142   6.132  -6.746  -0.881
  470    HA   ARG 142           HA       ARG 142   7.315  -4.551  -0.037
  471    HB2  ARG 142           HB2      ARG 142   4.319  -4.894   0.102
  472    HB3  ARG 142           HB1      ARG 142   5.172  -3.362  -0.016
  473    HG2  ARG 142           HG2      ARG 142   5.106  -5.547  -2.085
  474    HG3  ARG 142           HG1      ARG 142   4.300  -3.984  -2.171
  475    HD2  ARG 142           HD2      ARG 142   7.266  -4.126  -1.813
  476    HD3  ARG 142           HD1      ARG 142   6.557  -4.344  -3.410
  477    HE   ARG 142           HE       ARG 142   6.864  -1.896  -2.007
  478   HH11  ARG 142          HH11      ARG 142   4.724  -3.587  -4.181
  479   HH12  ARG 142          HH12      ARG 142   4.106  -2.139  -4.900
  480   HH21  ARG 142          HH21      ARG 142   6.052   0.014  -2.952
  481   HH22  ARG 142          HH22      ARG 142   4.856  -0.095  -4.198
  482    H    LYS 143           HN       LYS 143   4.543  -5.567   1.963
  483    HA   LYS 143           HA       LYS 143   5.533  -4.066   4.189
  484    HB2  LYS 143           HB2      LYS 143   3.090  -4.540   3.543
  485    HB3  LYS 143           HB1      LYS 143   3.322  -6.088   4.344
  486    HG2  LYS 143           HG2      LYS 143   2.386  -4.724   5.977
  487    HG3  LYS 143           HG1      LYS 143   4.107  -4.726   6.353
  488    HD2  LYS 143           HD2      LYS 143   3.797  -2.490   6.455
  489    HD3  LYS 143           HD1      LYS 143   3.997  -2.607   4.706
  490    HE2  LYS 143           HE2      LYS 143   1.743  -2.350   4.296
  491    HE3  LYS 143           HE1      LYS 143   1.281  -2.946   5.890
  492    HZ1  LYS 143           HZ1      LYS 143   2.808  -0.465   5.805
  493    HZ2  LYS 143           HZ2      LYS 143   1.534  -0.918   6.821
  494    HZ3  LYS 143           HZ3      LYS 143   1.212  -0.391   5.247
  495    H    LEU 144           HN       LEU 144   6.125  -7.225   3.066
  496    HA   LEU 144           HA       LEU 144   6.936  -8.116   5.746
  497    HB2  LEU 144           HB2      LEU 144   6.053  -9.516   3.285
  498    HB3  LEU 144           HB1      LEU 144   7.248 -10.329   4.278
  499    HG   LEU 144           HG       LEU 144   4.649  -9.307   5.403
  500   HD11  LEU 144          HD11      LEU 144   3.526 -11.159   4.787
  501   HD12  LEU 144          HD12      LEU 144   4.952 -12.191   4.893
  502   HD13  LEU 144          HD13      LEU 144   4.698 -11.181   3.470
  503   HD21  LEU 144          HD21      LEU 144   6.341 -11.560   6.423
  504   HD22  LEU 144          HD22      LEU 144   5.146 -10.588   7.282
  505   HD23  LEU 144          HD23      LEU 144   6.702  -9.885   6.842
  506    H    ARG 145           HN       ARG 145   8.413  -6.271   3.832
  507    HA   ARG 145           HA       ARG 145  11.014  -7.036   4.430
  508    HB2  ARG 145           HB2      ARG 145  10.678  -8.899   2.881
  509    HB3  ARG 145           HB1      ARG 145  10.195  -7.782   1.615
  510    HG2  ARG 145           HG2      ARG 145  12.457  -8.502   1.244
  511    HG3  ARG 145           HG1      ARG 145  12.446  -6.789   1.666
  512    HD2  ARG 145           HD2      ARG 145  14.230  -8.200   2.772
  513    HD3  ARG 145           HD1      ARG 145  13.235  -7.220   3.847
  514    HE   ARG 145           HE       ARG 145  12.275  -9.909   3.490
  515   HH11  ARG 145          HH11      ARG 145  14.401  -7.841   5.330
  516   HH12  ARG 145          HH12      ARG 145  14.423  -8.883   6.712
  517   HH21  ARG 145          HH21      ARG 145  12.303 -11.281   5.308
  518   HH22  ARG 145          HH22      ARG 145  13.233 -10.836   6.700
  519    H    LYS 146           HN       LYS 146  12.457  -5.424   3.945
  520    HA   LYS 146           HA       LYS 146  11.354  -3.121   2.494
  521    HB2  LYS 146           HB2      LYS 146  11.804  -2.451   4.701
  522    HB3  LYS 146           HB1      LYS 146  13.319  -3.340   4.754
  523    HG2  LYS 146           HG2      LYS 146  13.549  -0.857   4.631
  524    HG3  LYS 146           HG1      LYS 146  14.401  -1.746   3.374
  525    HD2  LYS 146           HD2      LYS 146  11.889  -1.249   2.291
  526    HD3  LYS 146           HD1      LYS 146  12.308   0.236   3.143
  527    HE2  LYS 146           HE2      LYS 146  14.645  -0.510   1.833
  528    HE3  LYS 146           HE1      LYS 146  13.357  -0.834   0.675
  529    HZ1  LYS 146           HZ1      LYS 146  13.658   1.338   0.219
  530    HZ2  LYS 146           HZ2      LYS 146  14.298   1.701   1.742
  531    HZ3  LYS 146           HZ3      LYS 146  12.625   1.561   1.540
  532    H    ARG 147           HN       ARG 147  11.962  -4.025   0.460
  533    HA   ARG 147           HA       ARG 147  13.341  -4.483  -1.301
  534    HB2  ARG 147           HB2      ARG 147  13.368  -2.053  -1.245
  535    HB3  ARG 147           HB1      ARG 147  14.714  -2.067  -0.116
  536    HG2  ARG 147           HG2      ARG 147  16.223  -2.364  -1.737
  537    HG3  ARG 147           HG1      ARG 147  15.226  -3.553  -2.578
  538    HD2  ARG 147           HD2      ARG 147  14.061  -0.919  -2.744
  539    HD3  ARG 147           HD1      ARG 147  15.720  -0.913  -3.341
  540    HE   ARG 147           HE       ARG 147  14.117  -3.069  -4.371
  541   HH11  ARG 147          HH11      ARG 147  15.075   0.257  -4.817
  542   HH12  ARG 147          HH12      ARG 147  14.727   0.260  -6.513
  543   HH21  ARG 147          HH21      ARG 147  13.655  -3.066  -6.601
  544   HH22  ARG 147          HH22      ARG 147  13.919  -1.625  -7.526
  545    H    LEU 148           HN       LEU 148  16.048  -3.198   0.554
  546    HA   LEU 148           HA       LEU 148  17.313  -5.848   0.392
  547    HB2  LEU 148           HB2      LEU 148  18.295  -3.748  -0.768
  548    HB3  LEU 148           HB1      LEU 148  18.786  -3.276   0.848
  549    HG   LEU 148           HG       LEU 148  20.057  -5.411   1.035
  550   HD11  LEU 148          HD11      LEU 148  18.842  -5.809  -1.626
  551   HD12  LEU 148          HD12      LEU 148  19.294  -6.986  -0.393
  552   HD13  LEU 148          HD13      LEU 148  20.528  -6.295  -1.447
  553   HD21  LEU 148          HD21      LEU 148  20.647  -3.235  -0.871
  554   HD22  LEU 148          HD22      LEU 148  21.659  -4.675  -0.988
  555   HD23  LEU 148          HD23      LEU 148  21.553  -3.792   0.536
  556    H    LEU 149           HN       LEU 149  16.988  -2.994   2.476
  557    HA   LEU 149           HA       LEU 149  18.344  -3.875   4.713
  558    HB2  LEU 149           HB2      LEU 149  15.794  -2.262   4.697
  559    HB3  LEU 149           HB1      LEU 149  16.970  -2.326   5.996
  560    HG   LEU 149           HG       LEU 149  17.821  -1.389   3.284
  561   HD11  LEU 149          HD11      LEU 149  16.873   0.650   3.445
  562   HD12  LEU 149          HD12      LEU 149  16.953   0.669   5.207
  563   HD13  LEU 149          HD13      LEU 149  15.668  -0.223   4.392
  564   HD21  LEU 149          HD21      LEU 149  19.231  -1.842   5.503
  565   HD22  LEU 149          HD22      LEU 149  18.727  -0.183   5.830
  566   HD23  LEU 149          HD23      LEU 149  19.633  -0.557   4.364
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1   5.518   9.957   6.797
    2    H2   GLY   1           HT2      GLY   1   5.066  11.070   7.987
    3    H3   GLY   1           HT3      GLY   1   4.654  11.347   6.371
    4    HA2  GLY   1           HA1      GLY   1   2.885  10.424   8.009
    5    HA3  GLY   1           HA2      GLY   1   2.968   9.830   6.357
    6    H    SER   2           HN       SER   2   5.006   8.091   6.346
    7    HA   SER   2           HA       SER   2   4.789   6.290   8.607
    8    HB2  SER   2           HB2      SER   2   4.016   5.277   5.868
    9    HB3  SER   2           HB1      SER   2   3.899   4.426   7.408
   10    HG   SER   2           HG       SER   2   1.985   5.242   7.588
   11    H    LYS   2           HN       LYS   2   5.848   4.019   7.466
   12    HA   LYS   2           HA       LYS   2   8.563   4.466   7.510
   13    HB2  LYS   2           HB2      LYS   2   7.322   2.233   5.911
   14    HB3  LYS   2           HB1      LYS   2   8.855   2.230   6.770
   15    HG2  LYS   2           HG2      LYS   2   7.729   1.155   8.367
   16    HG3  LYS   2           HG1      LYS   2   7.094   2.748   8.783
   17    HD2  LYS   2           HD2      LYS   2   5.283   2.218   7.004
   18    HD3  LYS   2           HD1      LYS   2   5.802   0.545   7.217
   19    HE2  LYS   2           HE2      LYS   2   3.852   1.286   8.636
   20    HE3  LYS   2           HE1      LYS   2   5.198   0.546   9.501
   21    HZ1  LYS   2           HZ1      LYS   2   5.049   3.475   9.204
   22    HZ2  LYS   2           HZ2      LYS   2   5.849   2.564  10.383
   23    HZ3  LYS   2           HZ3      LYS   2   4.163   2.695  10.416
   24    H    LEU   2           HN       LEU   2   6.951   3.430   4.501
   25    HA   LEU   2           HA       LEU   2   7.545   3.760   2.319
   26    HB2  LEU   2           HB2      LEU   2   7.205   6.426   3.575
   27    HB3  LEU   2           HB1      LEU   2   7.864   6.383   1.951
   28    HG   LEU   2           HG       LEU   2   5.895   5.258   1.119
   29   HD11  LEU   2          HD11      LEU   2   4.916   3.855   2.566
   30   HD12  LEU   2          HD12      LEU   2   3.991   5.271   3.062
   31   HD13  LEU   2          HD13      LEU   2   5.423   4.791   3.972
   32   HD21  LEU   2          HD21      LEU   2   5.990   7.831   1.755
   33   HD22  LEU   2          HD22      LEU   2   4.667   7.355   2.819
   34   HD23  LEU   2          HD23      LEU   2   4.541   7.086   1.081
   35    H    GLU   3           HN       GLU   3   9.457   6.532   3.327
   36    HA   GLU   3           HA       GLU   3  11.608   7.099   2.818
   37    HB2  GLU   3           HB2      GLU   3  13.269   5.718   3.911
   38    HB3  GLU   3           HB1      GLU   3  11.837   5.841   4.923
   39    HG2  GLU   3           HG2      GLU   3  11.143   3.636   4.321
   40    HG3  GLU   3           HG1      GLU   3  12.421   3.512   3.114
   41    H    GLY   4           HN       GLY   4  10.341   6.092   0.534
   42    HA2  GLY   4           HA2      GLY   4  11.606   5.927  -1.562
   43    HA3  GLY   4           HA1      GLY   4  12.616   4.730  -0.769
   44    H    LYS   5           HN       LYS   5  12.186   2.681  -1.143
   45    HA   LYS   5           HA       LYS   5  11.118   0.768  -1.738
   46    HB2  LYS   5           HB2      LYS   5   9.383   1.433  -0.127
   47    HB3  LYS   5           HB1      LYS   5   8.582   2.363  -1.381
   48    HG2  LYS   5           HG2      LYS   5   7.616   0.099  -0.873
   49    HG3  LYS   5           HG1      LYS   5   7.960   0.438  -2.567
   50    HD2  LYS   5           HD2      LYS   5   9.478  -1.209  -2.697
   51    HD3  LYS   5           HD1      LYS   5  10.198  -0.788  -1.142
   52    HE2  LYS   5           HE2      LYS   5   8.522  -2.020   0.038
   53    HE3  LYS   5           HE1      LYS   5   7.600  -2.281  -1.442
   54    HZ1  LYS   5           HZ1      LYS   5   9.312  -4.053  -0.436
   55    HZ2  LYS   5           HZ2      LYS   5  10.344  -3.224  -1.489
   56    HZ3  LYS   5           HZ3      LYS   5   8.938  -3.952  -2.083
   57    H    THR   6           HN       THR   6  10.727  -0.178  -3.653
   58    HA   THR   6           HA       THR   6  10.983   1.240  -6.026
   59    HB   THR   6           HB       THR   6  11.555  -0.993  -6.213
   60    HG1  THR   6           HG1      THR   6   8.934  -1.217  -7.213
   61   HG21  THR   6          HG21      THR   6  10.661  -2.021  -4.315
   62   HG22  THR   6          HG22      THR   6   9.916  -2.856  -5.677
   63   HG23  THR   6          HG23      THR   6   9.004  -1.639  -4.782
   64    H    CYS   7           HN       CYS   7   9.408   1.112  -7.892
   65    HA   CYS   7           HA       CYS   7   6.613   1.416  -7.087
   66    HB2  CYS   7           HB2      CYS   7   7.406   3.452  -9.033
   67    HB3  CYS   7           HB1      CYS   7   6.411   3.605  -7.591
   68    H    GLY   8           HN       GLY   8   8.514  -0.338  -8.839
   69    HA2  GLY   8           HA2      GLY   8   7.554  -0.026 -11.509
   70    HA3  GLY   8           HA1      GLY   8   8.459  -1.394 -10.883
   71    HA   PRO   9           HA       PRO   9   4.924  -3.998 -11.105
   72    HB2  PRO   9           HB2      PRO   9   4.991  -5.220  -8.604
   73    HB3  PRO   9           HB1      PRO   9   5.893  -5.747 -10.025
   74    HG2  PRO   9           HG2      PRO   9   6.798  -4.143  -7.690
   75    HG3  PRO   9           HG1      PRO   9   7.683  -5.348  -8.639
   76    HD2  PRO   9           HD2      PRO   9   8.099  -2.698  -8.919
   77    HD3  PRO   9           HD1      PRO   9   8.241  -3.828 -10.280
   78    H    SER  10           HN       SER  10   3.212  -4.839  -9.058
   79    HA   SER  10           HA       SER  10   1.292  -2.900  -8.952
   80    HB2  SER  10           HB2      SER  10   1.862  -5.101  -6.958
   81    HB3  SER  10           HB1      SER  10   0.392  -4.128  -6.939
   82    HG   SER  10           HG       SER  10   0.606  -6.282  -8.213
   83    H    SER  11           HN       SER  11   2.170  -0.869  -8.522
   84    HA   SER  11           HA       SER  11   2.494  -0.282  -5.686
   85    HB2  SER  11           HB2      SER  11   4.669  -0.248  -7.612
   86    HB3  SER  11           HB1      SER  11   4.424   1.346  -6.898
   87    HG   SER  11           HG       SER  11   5.107   0.618  -5.039
   88    H    PHE  12           HN       PHE  12   1.775   1.716  -5.093
   89    HA   PHE  12           HA       PHE  12   0.583   3.355  -7.231
   90    HB2  PHE  12           HB2      PHE  12  -1.172   2.499  -5.880
   91    HB3  PHE  12           HB1      PHE  12  -0.288   2.818  -4.394
   92    HD1  PHE  12           HD1      PHE  12  -1.612   4.689  -7.340
   93    HD2  PHE  12           HD2      PHE  12  -0.952   4.610  -3.136
   94    HE1  PHE  12           HE1      PHE  12  -2.767   6.851  -7.122
   95    HE2  PHE  12           HE2      PHE  12  -2.106   6.771  -2.911
   96    HZ   PHE  12           HZ       PHE  12  -3.015   7.894  -4.905
   97    H    SER  13           HN       SER  13   1.426   5.318  -7.526
   98    HA   SER  13           HA       SER  13   3.522   6.303  -5.881
   99    HB2  SER  13           HB2      SER  13   2.300   6.998  -8.414
  100    HB3  SER  13           HB1      SER  13   2.634   8.440  -7.455
  101    HG   SER  13           HG       SER  13   4.407   7.756  -8.788
  102    H    CYS  14           HN       CYS  14   3.357   7.378  -4.023
  103    HA   CYS  14           HA       CYS  14   0.930   8.102  -2.851
  104    HB2  CYS  14           HB2      CYS  14   3.789   8.546  -2.243
  105    HB3  CYS  14           HB1      CYS  14   2.663   9.658  -1.481
  106    HA   PRO  15           HA       PRO  15   0.039  11.724  -5.395
  107    HB2  PRO  15           HB2      PRO  15  -1.994  12.022  -3.244
  108    HB3  PRO  15           HB1      PRO  15  -2.195  12.076  -4.996
  109    HG2  PRO  15           HG2      PRO  15  -2.961   9.943  -3.598
  110    HG3  PRO  15           HG1      PRO  15  -2.223   9.773  -5.201
  111    HD2  PRO  15           HD2      PRO  15  -1.040   9.282  -2.510
  112    HD3  PRO  15           HD1      PRO  15  -0.754   8.437  -4.040
  113    H    GLY  16           HN       GLY  16   1.012  13.642  -5.236
  114    HA2  GLY  16           HA2      GLY  16   1.447  15.731  -4.250
  115    HA3  GLY  16           HA1      GLY  16   1.007  15.062  -2.688
  116    H    THR  17           HN       THR  17   2.784  12.713  -3.104
  117    HA   THR  17           HA       THR  17   5.357  14.083  -2.671
  118    HB   THR  17           HB       THR  17   5.896  12.116  -1.176
  119    HG1  THR  17           HG1      THR  17   3.097  11.699  -1.282
  120   HG21  THR  17          HG21      THR  17   4.083  14.304  -0.586
  121   HG22  THR  17          HG22      THR  17   5.456  13.684   0.331
  122   HG23  THR  17          HG23      THR  17   3.874  12.920   0.486
  123    H    HIS  18           HN       HIS  18   7.159  13.294  -3.641
  124    HA   HIS  18           HA       HIS  18   6.955  11.847  -6.013
  125    HB2  HIS  18           HB2      HIS  18   9.381  11.781  -6.001
  126    HB3  HIS  18           HB1      HIS  18   8.844  13.350  -5.407
  127    HD1  HIS  18           HD1      HIS  18   9.487  13.969  -2.997
  128    HD2  HIS  18           HD2      HIS  18  10.475  10.072  -4.038
  129    HE1  HIS  18           HE1      HIS  18  10.925  13.073  -1.118
  130    H    VAL  19           HN       VAL  19   7.175  10.767  -2.752
  131    HA   VAL  19           HA       VAL  19   8.319   8.248  -3.043
  132    HB   VAL  19           HB       VAL  19   7.872   9.286  -0.869
  133   HG11  VAL  19          HG11      VAL  19   5.093   8.477  -0.646
  134   HG12  VAL  19          HG12      VAL  19   5.338   9.728  -1.864
  135   HG13  VAL  19          HG13      VAL  19   5.869   9.997  -0.204
  136   HG21  VAL  19          HG21      VAL  19   7.859   6.664  -1.417
  137   HG22  VAL  19          HG22      VAL  19   6.265   6.814  -0.675
  138   HG23  VAL  19          HG23      VAL  19   7.705   7.308   0.217
  139    H    CYS  20           HN       CYS  20   7.440   6.179  -3.282
  140    HA   CYS  20           HA       CYS  20   4.772   6.096  -4.525
  141    HB2  CYS  20           HB2      CYS  20   5.716   4.055  -5.765
  142    HB3  CYS  20           HB1      CYS  20   6.259   5.644  -6.292
  143    H    VAL  21           HN       VAL  21   3.368   5.075  -3.293
  144    HA   VAL  21           HA       VAL  21   4.286   3.178  -1.286
  145    HB   VAL  21           HB       VAL  21   2.741   4.809  -0.483
  146   HG11  VAL  21          HG11      VAL  21   0.408   4.919  -1.412
  147   HG12  VAL  21          HG12      VAL  21   0.980   3.952  -2.767
  148   HG13  VAL  21          HG13      VAL  21   1.670   5.547  -2.469
  149   HG21  VAL  21          HG21      VAL  21   1.222   2.227  -0.808
  150   HG22  VAL  21          HG22      VAL  21   0.996   3.438   0.454
  151   HG23  VAL  21          HG23      VAL  21   2.493   2.509   0.383
  152    HA   PRO  22           HA       PRO  22   3.437  -0.268  -4.010
  153    HB2  PRO  22           HB2      PRO  22   3.444  -1.790  -1.473
  154    HB3  PRO  22           HB1      PRO  22   4.406  -2.023  -2.934
  155    HG2  PRO  22           HG2      PRO  22   5.482  -1.006  -0.707
  156    HG3  PRO  22           HG1      PRO  22   5.977  -0.457  -2.317
  157    HD2  PRO  22           HD2      PRO  22   4.195   0.868  -0.323
  158    HD3  PRO  22           HD1      PRO  22   5.382   1.587  -1.429
  159    H    GLU  23           HN       GLU  23   1.792  -1.841  -4.360
  160    HA   GLU  23           HA       GLU  23  -0.803  -0.990  -3.719
  161    HB2  GLU  23           HB2      GLU  23   0.291  -2.767  -5.505
  162    HB3  GLU  23           HB1      GLU  23  -0.559  -3.836  -4.398
  163    HG2  GLU  23           HG2      GLU  23  -2.632  -2.732  -4.813
  164    HG3  GLU  23           HG1      GLU  23  -1.830  -1.463  -5.738
  165    H    ARG  24           HN       ARG  24   1.303  -3.397  -2.245
  166    HA   ARG  24           HA       ARG  24  -0.656  -4.529  -0.541
  167    HB2  ARG  24           HB2      ARG  24   1.178  -5.909  -0.717
  168    HB3  ARG  24           HB1      ARG  24   2.319  -4.577  -0.710
  169    HG2  ARG  24           HG2      ARG  24   2.642  -5.829   1.282
  170    HG3  ARG  24           HG1      ARG  24   1.878  -4.306   1.734
  171    HD2  ARG  24           HD2      ARG  24  -0.189  -5.332   2.124
  172    HD3  ARG  24           HD1      ARG  24   0.258  -6.780   1.227
  173    HE   ARG  24           HE       ARG  24   2.006  -6.851   3.235
  174   HH11  ARG  24          HH11      ARG  24  -1.441  -6.286   3.237
  175   HH12  ARG  24          HH12      ARG  24  -1.670  -6.931   4.826
  176   HH21  ARG  24          HH21      ARG  24   1.702  -7.700   5.327
  177   HH22  ARG  24          HH22      ARG  24   0.112  -7.731   6.013
  178    H    TRP  25           HN       TRP  25   1.036  -1.563  -0.511
  179    HA   TRP  25           HA       TRP  25   0.567  -1.135   2.341
  180    HB2  TRP  25           HB2      TRP  25   1.975   0.610   0.314
  181    HB3  TRP  25           HB1      TRP  25   1.902   0.905   2.046
  182    HD1  TRP  25           HD1      TRP  25   2.584  -2.664   0.888
  183    HE1  TRP  25           HE1      TRP  25   5.024  -3.262   1.424
  184    HE3  TRP  25           HE3      TRP  25   4.255   1.954   2.300
  185    HZ2  TRP  25           HZ2      TRP  25   7.355  -1.952   2.322
  186    HZ3  TRP  25           HZ3      TRP  25   6.605   2.195   2.984
  187    HH2  TRP  25           HH2      TRP  25   8.122   0.282   2.996
  188    H    LEU  26           HN       LEU  26  -1.426  -1.072  -0.093
  189    HA   LEU  26           HA       LEU  26  -2.445   1.625   0.042
  190    HB2  LEU  26           HB2      LEU  26  -2.976  -0.796  -1.536
  191    HB3  LEU  26           HB1      LEU  26  -4.394   0.170  -1.197
  192    HG   LEU  26           HG       LEU  26  -3.540   2.036  -2.362
  193   HD11  LEU  26          HD11      LEU  26  -1.388   2.550  -2.204
  194   HD12  LEU  26          HD12      LEU  26  -1.046   1.288  -3.387
  195   HD13  LEU  26          HD13      LEU  26  -0.986   0.920  -1.664
  196   HD21  LEU  26          HD21      LEU  26  -2.826  -0.476  -3.865
  197   HD22  LEU  26          HD22      LEU  26  -3.018   1.119  -4.592
  198   HD23  LEU  26          HD23      LEU  26  -4.396   0.327  -3.829
  199    H    CYS  27           HN       CYS  27  -4.205  -1.422   0.441
  200    HA   CYS  27           HA       CYS  27  -5.779  -0.177   2.578
  201    HB2  CYS  27           HB2      CYS  27  -6.393  -2.804   1.238
  202    HB3  CYS  27           HB1      CYS  27  -7.490  -1.734   2.103
  203    H    ASP  28           HN       ASP  28  -3.066  -1.222   2.983
  204    HA   ASP  28           HA       ASP  28  -3.107  -3.729   4.248
  205    HB2  ASP  28           HB2      ASP  28  -0.901  -3.359   4.310
  206    HB3  ASP  28           HB1      ASP  28  -1.190  -1.743   3.680
  207    H    GLY  29           HN       GLY  29  -4.012  -0.551   5.330
  208    HA2  GLY  29           HA2      GLY  29  -5.640  -0.488   7.162
  209    HA3  GLY  29           HA1      GLY  29  -4.664  -1.707   7.967
  210    H    ASP  30           HN       ASP  30  -3.248   1.007   6.294
  211    HA   ASP  30           HA       ASP  30  -3.025   2.716   8.556
  212    HB2  ASP  30           HB2      ASP  30  -0.833   0.778   7.991
  213    HB3  ASP  30           HB1      ASP  30  -0.377   2.417   8.444
  214    H    LYS  31           HN       LYS  31  -2.994   4.676   7.684
  215    HA   LYS  31           HA       LYS  31  -2.638   5.219   4.983
  216    HB2  LYS  31           HB2      LYS  31  -2.368   7.051   7.366
  217    HB3  LYS  31           HB1      LYS  31  -2.423   7.609   5.703
  218    HG2  LYS  31           HG2      LYS  31  -4.647   6.612   5.452
  219    HG3  LYS  31           HG1      LYS  31  -4.595   6.102   7.140
  220    HD2  LYS  31           HD2      LYS  31  -5.038   8.173   7.910
  221    HD3  LYS  31           HD1      LYS  31  -4.033   8.951   6.687
  222    HE2  LYS  31           HE2      LYS  31  -5.760   9.249   5.274
  223    HE3  LYS  31           HE1      LYS  31  -6.482   7.689   5.667
  224    HZ1  LYS  31           HZ1      LYS  31  -6.583   9.698   7.762
  225    HZ2  LYS  31           HZ2      LYS  31  -7.759   8.586   7.269
  226    HZ3  LYS  31           HZ3      LYS  31  -7.531  10.017   6.397
  227    H    ASP  32           HN       ASP  32  -0.744   4.246   4.251
  228    HA   ASP  32           HA       ASP  32   1.822   4.736   5.328
  229    HB2  ASP  32           HB2      ASP  32   0.893   3.734   2.640
  230    HB3  ASP  32           HB1      ASP  32   2.595   3.895   3.050
  231    H    CYS  33           HN       CYS  33  -0.020   6.247   2.713
  232    HA   CYS  33           HA       CYS  33   2.063   7.963   1.844
  233    HB2  CYS  33           HB2      CYS  33  -0.916   7.924   1.469
  234    HB3  CYS  33           HB1      CYS  33   0.017   9.312   0.931
  235    H    ALA  34           HN       ALA  34   1.262  10.486   1.810
  236    HA   ALA  34           HA       ALA  34   1.778  11.383   4.458
  237    HB1  ALA  34           HB1      ALA  34   2.674  12.819   2.926
  238    HB2  ALA  34           HB2      ALA  34   1.164  13.658   3.282
  239    HB3  ALA  34           HB3      ALA  34   1.305  12.674   1.825
  240    H    ASP  35           HN       ASP  35  -1.113  11.241   2.435
  241    HA   ASP  35           HA       ASP  35  -2.694  12.042   4.789
  242    HB2  ASP  35           HB2      ASP  35  -3.218  12.711   1.887
  243    HB3  ASP  35           HB1      ASP  35  -4.347  13.026   3.202
  244    H    GLY  36           HN       GLY  36  -1.948   9.355   3.972
  245    HA2  GLY  36           HA2      GLY  36  -2.960   7.291   3.873
  246    HA3  GLY  36           HA1      GLY  36  -4.469   8.109   4.238
  247    H    ALA  37           HN       ALA  37  -2.700   9.108   1.441
  248    HA   ALA  37           HA       ALA  37  -4.805   8.715  -0.332
  249    HB1  ALA  37           HB1      ALA  37  -1.870   9.130  -0.673
  250    HB2  ALA  37           HB2      ALA  37  -3.214  10.183  -1.116
  251    HB3  ALA  37           HB3      ALA  37  -2.867   8.744  -2.075
  252    H    ASP  38           HN       ASP  38  -2.183   6.581   0.615
  253    HA   ASP  38           HA       ASP  38  -2.456   4.600  -1.342
  254    HB2  ASP  38           HB2      ASP  38  -1.350   3.111   0.265
  255    HB3  ASP  38           HB1      ASP  38  -0.577   4.689   0.251
  256    H    GLU  39           HN       GLU  39  -4.074   5.058   1.760
  257    HA   GLU  39           HA       GLU  39  -5.691   2.695   1.484
  258    HB2  GLU  39           HB2      GLU  39  -5.914   5.029   3.395
  259    HB3  GLU  39           HB1      GLU  39  -6.838   3.538   3.509
  260    HG2  GLU  39           HG2      GLU  39  -3.997   3.028   3.356
  261    HG3  GLU  39           HG1      GLU  39  -4.405   4.086   4.705
  262    H    SER  40           HN       SER  40  -5.861   5.993   0.523
  263    HA   SER  40           HA       SER  40  -8.678   6.221   0.270
  264    HB2  SER  40           HB2      SER  40  -6.418   7.748  -1.039
  265    HB3  SER  40           HB1      SER  40  -8.120   8.181  -1.194
  266    HG   SER  40           HG       SER  40  -6.697   9.155   0.573
  267    H    ILE  41           HN       ILE  41  -9.907   6.280  -1.670
  268    HA   ILE  41           HA       ILE  41  -9.588   4.063  -3.320
  269    HB   ILE  41           HB       ILE  41 -11.708   5.317  -2.906
  270   HG12  ILE  41          HG12      ILE  41 -12.344   5.182  -5.485
  271   HG13  ILE  41          HG11      ILE  41 -10.777   4.389  -5.570
  272   HG21  ILE  41          HG21      ILE  41 -10.706   7.561  -3.373
  273   HG22  ILE  41          HG22      ILE  41 -12.259   7.257  -4.152
  274   HG23  ILE  41          HG23      ILE  41 -10.767   7.153  -5.088
  275   HD11  ILE  41          HD11      ILE  41 -11.877   3.092  -3.476
  276   HD12  ILE  41          HD12      ILE  41 -11.979   2.546  -5.150
  277   HD13  ILE  41          HD13      ILE  41 -13.312   3.453  -4.435
  278    H    ALA  42           HN       ALA  42  -8.217   7.223  -3.541
  279    HA   ALA  42           HA       ALA  42  -7.734   7.554  -6.232
  280    HB1  ALA  42           HB1      ALA  42  -7.026   8.901  -4.012
  281    HB2  ALA  42           HB2      ALA  42  -6.345   9.219  -5.608
  282    HB3  ALA  42           HB3      ALA  42  -5.469   8.204  -4.462
  283    H    ALA  43           HN       ALA  43  -6.316   5.287  -4.026
  284    HA   ALA  43           HA       ALA  43  -4.211   4.547  -5.909
  285    HB1  ALA  43           HB1      ALA  43  -3.868   4.785  -3.392
  286    HB2  ALA  43           HB2      ALA  43  -3.228   3.331  -4.159
  287    HB3  ALA  43           HB3      ALA  43  -4.739   3.259  -3.251
  288    H    GLY  44           HN       GLY  44  -7.345   3.539  -4.896
  289    HA2  GLY  44           HA2      GLY  44  -8.553   2.009  -6.346
  290    HA3  GLY  44           HA1      GLY  44  -7.056   1.103  -6.537
  291    H    CYS  45           HN       CYS  45  -8.225   2.391  -3.504
  292    HA   CYS  45           HA       CYS  45  -8.058  -0.181  -2.267
  293    HB2  CYS  45           HB2      CYS  45  -7.613   2.215  -1.287
  294    HB3  CYS  45           HB1      CYS  45  -9.337   2.179  -0.949
  295    H    LEU  46           HN       LEU  46 -10.376   1.028  -4.221
  296    HA   LEU  46           HA       LEU  46 -12.445   0.259  -4.757
  297    HB2  LEU  46           HB2      LEU  46 -12.367  -1.410  -2.250
  298    HB3  LEU  46           HB1      LEU  46 -13.455  -1.596  -3.608
  299    HG   LEU  46           HG       LEU  46 -12.023  -3.248  -4.166
  300   HD11  LEU  46          HD11      LEU  46 -10.460  -2.628  -5.818
  301   HD12  LEU  46          HD12      LEU  46 -10.218  -1.037  -5.098
  302   HD13  LEU  46          HD13      LEU  46 -11.748  -1.426  -5.882
  303   HD21  LEU  46          HD21      LEU  46  -9.505  -2.027  -3.210
  304   HD22  LEU  46          HD22      LEU  46 -10.058  -3.700  -3.139
  305   HD23  LEU  46          HD23      LEU  46 -10.678  -2.518  -1.988
  306    H    TYR  47           HN       TYR  47 -12.203   0.704  -1.221
  307    HA   TYR  47           HA       TYR  47 -14.786   2.056  -1.270
  308    HB2  TYR  47           HB2      TYR  47 -14.648   1.928   1.194
  309    HB3  TYR  47           HB1      TYR  47 -14.477   0.357   0.425
  310    HD1  TYR  47           HD1      TYR  47 -12.301  -0.779   0.381
  311    HD2  TYR  47           HD2      TYR  47 -12.835   2.899   2.449
  312    HE1  TYR  47           HE1      TYR  47 -10.204  -1.168   1.597
  313    HE2  TYR  47           HE2      TYR  47 -10.737   2.520   3.675
  314    HH   TYR  47           HH       TYR  47  -9.323   0.543   4.337
  315    H    ASN  48           HN       ASN  48 -14.157   3.624   1.146
  316    HA   ASN  48           HA       ASN  48 -12.957   5.501   1.838
  317    HB2  ASN  48           HB2      ASN  48 -12.040   5.818  -1.029
  318    HB3  ASN  48           HB1      ASN  48 -11.526   6.782   0.347
  319   HD21  ASN  48          HD21      ASN  48 -10.583   5.478   2.177
  320   HD22  ASN  48          HD22      ASN  48  -9.490   4.216   1.737
  321    H    SER  49           HN       SER  49 -15.614   5.219   1.201
  322    HA   SER  49           HA       SER  49 -16.262   7.950   0.378
  323    HB2  SER  49           HB2      SER  49 -16.585   6.180  -1.511
  324    HB3  SER  49           HB1      SER  49 -17.999   5.691  -0.578
  325    HG   SER  49           HG       SER  49 -17.472   8.306  -1.554
  326    H    THR  50           HN       THR  50 -17.444   4.902   1.744
  327    HA   THR  50           HA       THR  50 -19.501   6.303   3.254
  328    HB   THR  50           HB       THR  50 -20.354   4.145   3.817
  329    HG1  THR  50           HG1      THR  50 -18.854   2.750   4.281
  330   HG21  THR  50          HG21      THR  50 -19.654   3.084   1.281
  331   HG22  THR  50          HG22      THR  50 -19.897   4.824   1.118
  332   HG23  THR  50          HG23      THR  50 -21.174   3.815   1.798
  333    H    GLY  51           HN       GLY  51 -19.614   4.756   5.552
  334    HA2  GLY  51           HA2      GLY  51 -17.259   5.775   6.973
  335    HA3  GLY  51           HA1      GLY  51 -18.795   5.335   7.706
  336    H    SER  52           HN       SER  52 -17.147   4.282   9.193
  337    HA   SER  52           HA       SER  52 -16.281   2.375  10.079
  338    HB2  SER  52           HB2      SER  52 -18.471   1.431   9.352
  339    HB3  SER  52           HB1      SER  52 -17.726   0.965   7.823
  340    HG   SER  52           HG       SER  52 -16.208  -0.264   9.137
  341    H    GLY  53           HN       GLY  53 -14.556   0.877   9.830
  342    HA2  GLY  53           HA2      GLY  53 -12.752   1.605   7.688
  343    HA3  GLY  53           HA1      GLY  53 -12.391   0.553   9.048
  344    H    SER  54           HN       SER  54 -11.622   0.053   6.371
  345    HA   SER  54           HA       SER  54 -11.616  -1.575   4.780
  346    HB2  SER  54           HB2      SER  54 -11.903  -3.815   5.545
  347    HB3  SER  54           HB1      SER  54 -11.260  -2.904   6.910
  348    HG   SER  54           HG       SER  54 -13.218  -2.946   7.877
  349    H    GLY  55           HN       GLY  55 -13.053  -0.653   3.319
  350    HA2  GLY  55           HA2      GLY  55 -15.894  -1.027   3.575
  351    HA3  GLY  55           HA1      GLY  55 -15.053  -0.322   2.203
  352    H    SER  56           HN       SER  56 -13.567  -2.130   1.102
  353    HA   SER  56           HA       SER  56 -15.312  -3.881  -0.189
  354    HB2  SER  56           HB2      SER  56 -12.852  -3.033  -0.761
  355    HB3  SER  56           HB1      SER  56 -12.420  -4.594  -0.063
  356    HG   SER  56           HG       SER  56 -14.115  -5.427  -1.570
  357    H    GLY  57           HN       GLY  57 -13.457  -4.272   2.730
  358    HA2  GLY  57           HA2      GLY  57 -13.764  -5.875   4.383
  359    HA3  GLY  57           HA1      GLY  57 -14.864  -6.728   3.312
  360    H    SER 129           HN       SER 129 -14.176  -8.693   2.831
  361    HA   SER 129           HA       SER 129 -11.604  -9.659   3.334
  362    HB2  SER 129           HB2      SER 129 -13.718 -10.739   1.453
  363    HB3  SER 129           HB1      SER 129 -12.290 -11.630   1.983
  364    HG   SER 129           HG       SER 129 -13.128 -11.175   4.184
  365    H    THR 130           HN       THR 130 -13.088  -8.601   0.286
  366    HA   THR 130           HA       THR 130 -10.990  -9.197  -1.435
  367    HB   THR 130           HB       THR 130 -12.597  -6.690  -1.786
  368    HG1  THR 130           HG1      THR 130 -14.237  -7.958  -1.254
  369   HG21  THR 130          HG21      THR 130 -11.394  -6.972  -3.699
  370   HG22  THR 130          HG22      THR 130 -12.843  -7.896  -4.096
  371   HG23  THR 130          HG23      THR 130 -11.382  -8.731  -3.567
  372    H    GLU 131           HN       GLU 131 -11.346  -6.614   0.865
  373    HA   GLU 131           HA       GLU 131  -9.469  -4.789  -0.103
  374    HB2  GLU 131           HB2      GLU 131 -11.065  -4.415   1.795
  375    HB3  GLU 131           HB1      GLU 131 -10.026  -5.414   2.801
  376    HG2  GLU 131           HG2      GLU 131  -8.689  -3.193   1.418
  377    HG3  GLU 131           HG1      GLU 131  -9.867  -2.735   2.647
  378    H    GLU 132           HN       GLU 132  -8.963  -7.181   2.496
  379    HA   GLU 132           HA       GLU 132  -6.156  -6.890   2.518
  380    HB2  GLU 132           HB2      GLU 132  -7.574  -9.388   3.408
  381    HB3  GLU 132           HB1      GLU 132  -6.111  -8.667   4.062
  382    HG2  GLU 132           HG2      GLU 132  -8.310  -6.833   4.283
  383    HG3  GLU 132           HG1      GLU 132  -8.727  -8.387   5.000
  384    H    LEU 133           HN       LEU 133  -8.305  -8.782   0.577
  385    HA   LEU 133           HA       LEU 133  -6.590 -10.813  -0.279
  386    HB2  LEU 133           HB2      LEU 133  -9.106  -9.610  -1.170
  387    HB3  LEU 133           HB1      LEU 133  -8.163 -10.313  -2.469
  388    HG   LEU 133           HG       LEU 133  -8.194 -12.475  -1.406
  389   HD11  LEU 133          HD11      LEU 133  -8.202 -11.350   0.949
  390   HD12  LEU 133          HD12      LEU 133  -8.944 -12.932   0.720
  391   HD13  LEU 133          HD13      LEU 133  -9.953 -11.489   0.791
  392   HD21  LEU 133          HD21      LEU 133 -10.241 -12.944  -2.167
  393   HD22  LEU 133          HD22      LEU 133 -10.386 -11.215  -2.484
  394   HD23  LEU 133          HD23      LEU 133 -11.017 -11.892  -0.982
  395    H    ARG 134           HN       ARG 134  -7.534  -8.024  -2.284
  396    HA   ARG 134           HA       ARG 134  -5.586  -8.245  -4.206
  397    HB2  ARG 134           HB2      ARG 134  -6.013  -5.948  -4.769
  398    HB3  ARG 134           HB1      ARG 134  -7.528  -6.686  -4.269
  399    HG2  ARG 134           HG2      ARG 134  -7.401  -5.616  -2.120
  400    HG3  ARG 134           HG1      ARG 134  -5.795  -4.986  -2.487
  401    HD2  ARG 134           HD2      ARG 134  -8.346  -4.279  -3.936
  402    HD3  ARG 134           HD1      ARG 134  -7.519  -3.269  -2.752
  403    HE   ARG 134           HE       ARG 134  -5.923  -2.739  -4.336
  404   HH11  ARG 134          HH11      ARG 134  -8.038  -5.231  -5.567
  405   HH12  ARG 134          HH12      ARG 134  -7.473  -5.078  -7.195
  406   HH21  ARG 134          HH21      ARG 134  -5.178  -2.543  -6.477
  407   HH22  ARG 134          HH22      ARG 134  -5.849  -3.554  -7.712
  408    H    VAL 135           HN       VAL 135  -5.340  -6.723  -1.048
  409    HA   VAL 135           HA       VAL 135  -2.747  -5.600  -1.538
  410    HB   VAL 135           HB       VAL 135  -4.223  -6.011   1.067
  411   HG11  VAL 135          HG11      VAL 135  -2.222  -3.871   0.816
  412   HG12  VAL 135          HG12      VAL 135  -1.580  -5.512   0.845
  413   HG13  VAL 135          HG13      VAL 135  -2.583  -4.935   2.174
  414   HG21  VAL 135          HG21      VAL 135  -4.644  -3.537   0.811
  415   HG22  VAL 135          HG22      VAL 135  -5.519  -4.584  -0.306
  416   HG23  VAL 135          HG23      VAL 135  -4.094  -3.704  -0.856
  417    H    ARG 136           HN       ARG 136  -3.980  -8.559  -0.087
  418    HA   ARG 136           HA       ARG 136  -1.680  -9.417   1.233
  419    HB2  ARG 136           HB2      ARG 136  -4.169 -10.625   0.316
  420    HB3  ARG 136           HB1      ARG 136  -2.819 -11.751   0.268
  421    HG2  ARG 136           HG2      ARG 136  -2.647 -11.857   2.506
  422    HG3  ARG 136           HG1      ARG 136  -3.054 -10.154   2.726
  423    HD2  ARG 136           HD2      ARG 136  -5.432 -10.828   2.063
  424    HD3  ARG 136           HD1      ARG 136  -4.901 -12.488   2.326
  425    HE   ARG 136           HE       ARG 136  -5.471 -10.513   4.329
  426   HH11  ARG 136          HH11      ARG 136  -3.671 -13.418   3.623
  427   HH12  ARG 136          HH12      ARG 136  -3.556 -13.899   5.282
  428   HH21  ARG 136          HH21      ARG 136  -5.320 -11.143   6.512
  429   HH22  ARG 136          HH22      ARG 136  -4.493 -12.608   6.923
  430    H    LEU 137           HN       LEU 137  -2.373  -9.284  -2.158
  431    HA   LEU 137           HA       LEU 137  -0.507 -11.234  -3.017
  432    HB2  LEU 137           HB2      LEU 137  -2.322 -10.359  -4.445
  433    HB3  LEU 137           HB1      LEU 137  -1.521  -8.802  -4.496
  434    HG   LEU 137           HG       LEU 137  -1.228 -10.274  -6.529
  435   HD11  LEU 137          HD11      LEU 137   0.343  -8.376  -5.608
  436   HD12  LEU 137          HD12      LEU 137   0.812  -9.357  -6.995
  437   HD13  LEU 137          HD13      LEU 137   1.467  -9.719  -5.399
  438   HD21  LEU 137          HD21      LEU 137  -0.884 -12.353  -5.116
  439   HD22  LEU 137          HD22      LEU 137   0.754 -11.763  -4.834
  440   HD23  LEU 137          HD23      LEU 137   0.218 -12.128  -6.474
  441    H    ALA 138           HN       ALA 138  -0.228  -7.734  -3.564
  442    HA   ALA 138           HA       ALA 138   2.357  -7.456  -4.189
  443    HB1  ALA 138           HB1      ALA 138   1.398  -5.427  -4.202
  444    HB2  ALA 138           HB2      ALA 138   2.151  -5.291  -2.614
  445    HB3  ALA 138           HB3      ALA 138   0.450  -5.742  -2.747
  446    H    SER 139           HN       SER 139   1.188  -8.201  -0.977
  447    HA   SER 139           HA       SER 139   3.351  -7.576   0.599
  448    HB2  SER 139           HB2      SER 139   1.486  -8.364   1.747
  449    HB3  SER 139           HB1      SER 139   1.327  -9.786   0.721
  450    HG   SER 139           HG       SER 139   3.062  -9.320   2.872
  451    H    HIS 140           HN       HIS 140   3.156  -9.996  -1.856
  452    HA   HIS 140           HA       HIS 140   4.970 -11.904  -1.092
  453    HB2  HIS 140           HB2      HIS 140   5.383 -12.307  -3.458
  454    HB3  HIS 140           HB1      HIS 140   3.675 -11.978  -3.187
  455    HD1  HIS 140           HD1      HIS 140   6.587 -10.808  -5.123
  456    HD2  HIS 140           HD2      HIS 140   2.851  -9.368  -4.044
  457    HE1  HIS 140           HE1      HIS 140   6.096  -8.855  -6.656
  458    H    LEU 141           HN       LEU 141   5.636  -8.621  -2.111
  459    HA   LEU 141           HA       LEU 141   8.477  -9.086  -1.509
  460    HB2  LEU 141           HB2      LEU 141   8.339  -9.066  -3.901
  461    HB3  LEU 141           HB1      LEU 141   7.349  -7.618  -3.884
  462    HG   LEU 141           HG       LEU 141   9.691  -6.886  -2.548
  463   HD11  LEU 141          HD11      LEU 141  10.212  -8.885  -4.668
  464   HD12  LEU 141          HD12      LEU 141  11.119  -8.517  -3.201
  465   HD13  LEU 141          HD13      LEU 141  11.252  -7.462  -4.609
  466   HD21  LEU 141          HD21      LEU 141  10.096  -5.711  -4.831
  467   HD22  LEU 141          HD22      LEU 141   8.684  -5.285  -3.862
  468   HD23  LEU 141          HD23      LEU 141   8.513  -6.371  -5.242
  469    H    ARG 142           HN       ARG 142   6.047  -6.570  -2.152
  470    HA   ARG 142           HA       ARG 142   7.242  -4.350  -1.190
  471    HB2  ARG 142           HB2      ARG 142   4.386  -5.079  -0.550
  472    HB3  ARG 142           HB1      ARG 142   5.060  -3.461  -0.688
  473    HG2  ARG 142           HG2      ARG 142   4.548  -5.456  -2.867
  474    HG3  ARG 142           HG1      ARG 142   3.895  -3.829  -2.692
  475    HD2  ARG 142           HD2      ARG 142   6.461  -3.186  -2.800
  476    HD3  ARG 142           HD1      ARG 142   6.562  -4.722  -3.658
  477    HE   ARG 142           HE       ARG 142   4.480  -3.033  -4.657
  478   HH11  ARG 142          HH11      ARG 142   7.902  -3.693  -4.806
  479   HH12  ARG 142          HH12      ARG 142   8.092  -3.007  -6.384
  480   HH21  ARG 142          HH21      ARG 142   4.732  -2.126  -6.730
  481   HH22  ARG 142          HH22      ARG 142   6.295  -2.114  -7.474
  482    H    LYS 143           HN       LYS 143   5.331  -6.538   0.894
  483    HA   LYS 143           HA       LYS 143   6.628  -5.322   3.223
  484    HB2  LYS 143           HB2      LYS 143   4.197  -7.096   2.990
  485    HB3  LYS 143           HB1      LYS 143   4.876  -6.560   4.521
  486    HG2  LYS 143           HG2      LYS 143   3.907  -4.702   2.365
  487    HG3  LYS 143           HG1      LYS 143   2.932  -5.228   3.738
  488    HD2  LYS 143           HD2      LYS 143   4.803  -4.329   5.210
  489    HD3  LYS 143           HD1      LYS 143   5.428  -3.551   3.755
  490    HE2  LYS 143           HE2      LYS 143   3.883  -1.940   3.834
  491    HE3  LYS 143           HE1      LYS 143   2.582  -3.093   4.130
  492    HZ1  LYS 143           HZ1      LYS 143   4.404  -1.898   6.145
  493    HZ2  LYS 143           HZ2      LYS 143   3.321  -3.152   6.483
  494    HZ3  LYS 143           HZ3      LYS 143   2.738  -1.642   5.992
  495    H    LEU 144           HN       LEU 144   7.086  -7.945   1.228
  496    HA   LEU 144           HA       LEU 144   8.107  -9.628   3.404
  497    HB2  LEU 144           HB2      LEU 144   7.168 -10.195   0.632
  498    HB3  LEU 144           HB1      LEU 144   8.334 -11.278   1.368
  499    HG   LEU 144           HG       LEU 144   5.723 -10.588   2.697
  500   HD11  LEU 144          HD11      LEU 144   6.249 -12.355   0.425
  501   HD12  LEU 144          HD12      LEU 144   4.728 -11.693   1.023
  502   HD13  LEU 144          HD13      LEU 144   5.417 -13.134   1.770
  503   HD21  LEU 144          HD21      LEU 144   6.264 -12.132   4.255
  504   HD22  LEU 144          HD22      LEU 144   7.907 -11.732   3.756
  505   HD23  LEU 144          HD23      LEU 144   7.110 -13.161   3.100
  506    H    ARG 145           HN       ARG 145   9.287  -7.272   1.489
  507    HA   ARG 145           HA       ARG 145  11.969  -8.420   1.593
  508    HB2  ARG 145           HB2      ARG 145  10.618  -7.416  -0.893
  509    HB3  ARG 145           HB1      ARG 145  12.369  -7.389  -0.736
  510    HG2  ARG 145           HG2      ARG 145  11.404  -9.961   0.030
  511    HG3  ARG 145           HG1      ARG 145  10.722  -9.523  -1.534
  512    HD2  ARG 145           HD2      ARG 145  12.845  -9.265  -2.508
  513    HD3  ARG 145           HD1      ARG 145  13.646  -9.214  -0.938
  514    HE   ARG 145           HE       ARG 145  13.659 -11.509  -0.896
  515   HH11  ARG 145          HH11      ARG 145  11.552 -10.422  -3.458
  516   HH12  ARG 145          HH12      ARG 145  11.354 -12.003  -4.135
  517   HH21  ARG 145          HH21      ARG 145  13.398 -13.589  -1.786
  518   HH22  ARG 145          HH22      ARG 145  12.401 -13.800  -3.187
  519    H    LYS 146           HN       LYS 146  11.024  -5.525  -0.177
  520    HA   LYS 146           HA       LYS 146  11.313  -3.301   0.229
  521    HB2  LYS 146           HB2      LYS 146  10.414  -3.876   2.525
  522    HB3  LYS 146           HB1      LYS 146  12.084  -3.989   3.058
  523    HG2  LYS 146           HG2      LYS 146  11.136  -1.827   3.612
  524    HG3  LYS 146           HG1      LYS 146  12.451  -1.659   2.448
  525    HD2  LYS 146           HD2      LYS 146  10.869  -1.404   0.639
  526    HD3  LYS 146           HD1      LYS 146   9.519  -1.703   1.737
  527    HE2  LYS 146           HE2      LYS 146   9.512   0.597   1.622
  528    HE3  LYS 146           HE1      LYS 146  10.508   0.322   3.050
  529    HZ1  LYS 146           HZ1      LYS 146  11.250   1.382   0.452
  530    HZ2  LYS 146           HZ2      LYS 146  12.364   0.316   1.145
  531    HZ3  LYS 146           HZ3      LYS 146  11.895   1.710   1.981
  532    H    ARG 147           HN       ARG 147  13.662  -5.598   0.284
  533    HA   ARG 147           HA       ARG 147  15.944  -5.618   0.217
  534    HB2  ARG 147           HB2      ARG 147  15.015  -4.179  -1.816
  535    HB3  ARG 147           HB1      ARG 147  15.916  -2.903  -1.008
  536    HG2  ARG 147           HG2      ARG 147  17.408  -5.399  -1.314
  537    HG3  ARG 147           HG1      ARG 147  16.940  -4.642  -2.838
  538    HD2  ARG 147           HD2      ARG 147  17.870  -2.481  -1.849
  539    HD3  ARG 147           HD1      ARG 147  18.606  -3.499  -0.613
  540    HE   ARG 147           HE       ARG 147  19.428  -3.226  -3.356
  541   HH11  ARG 147          HH11      ARG 147  19.501  -5.275  -0.531
  542   HH12  ARG 147          HH12      ARG 147  20.934  -6.113  -1.023
  543   HH21  ARG 147          HH21      ARG 147  21.312  -4.328  -4.004
  544   HH22  ARG 147          HH22      ARG 147  21.962  -5.576  -2.993
  545    H    LEU 148           HN       LEU 148  14.812  -4.418   2.639
  546    HA   LEU 148           HA       LEU 148  17.194  -2.925   3.455
  547    HB2  LEU 148           HB2      LEU 148  15.584  -1.203   3.006
  548    HB3  LEU 148           HB1      LEU 148  14.345  -2.049   3.912
  549    HG   LEU 148           HG       LEU 148  15.689  -1.688   5.985
  550   HD11  LEU 148          HD11      LEU 148  17.420  -0.174   4.057
  551   HD12  LEU 148          HD12      LEU 148  17.887  -1.409   5.227
  552   HD13  LEU 148          HD13      LEU 148  17.398   0.192   5.782
  553   HD21  LEU 148          HD21      LEU 148  14.932   0.807   4.470
  554   HD22  LEU 148          HD22      LEU 148  15.111   0.666   6.218
  555   HD23  LEU 148          HD23      LEU 148  13.828  -0.216   5.390
  556    H    LEU 149           HN       LEU 149  14.181  -3.482   5.237
  557    HA   LEU 149           HA       LEU 149  15.565  -4.531   7.477
  558    HB2  LEU 149           HB2      LEU 149  13.476  -4.701   8.521
  559    HB3  LEU 149           HB1      LEU 149  13.336  -3.316   7.459
  560    HG   LEU 149           HG       LEU 149  12.097  -6.038   7.140
  561   HD11  LEU 149          HD11      LEU 149  10.908  -4.364   8.478
  562   HD12  LEU 149          HD12      LEU 149  10.042  -4.755   6.992
  563   HD13  LEU 149          HD13      LEU 149  10.955  -3.250   7.112
  564   HD21  LEU 149          HD21      LEU 149  12.230  -3.867   5.049
  565   HD22  LEU 149          HD22      LEU 149  11.323  -5.375   4.935
  566   HD23  LEU 149          HD23      LEU 149  13.085  -5.407   4.979
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1   2.879  11.241   6.858
    2    H2   GLY   1           HT2      GLY   1   1.673  10.129   7.271
    3    H3   GLY   1           HT3      GLY   1   1.892  10.577   5.655
    4    HA2  GLY   1           HA1      GLY   1   3.093   8.719   5.477
    5    HA3  GLY   1           HA2      GLY   1   4.341   9.677   6.259
    6    H    SER   2           HN       SER   2   3.302   6.735   6.308
    7    HA   SER   2           HA       SER   2   3.127   6.470   9.232
    8    HB2  SER   2           HB2      SER   2   2.532   4.288   7.237
    9    HB3  SER   2           HB1      SER   2   2.025   4.397   8.923
   10    HG   SER   2           HG       SER   2   1.183   6.144   6.849
   11    H    LYS   2           HN       LYS   2   4.389   4.505   6.539
   12    HA   LYS   2           HA       LYS   2   6.959   4.306   7.913
   13    HB2  LYS   2           HB2      LYS   2   5.526   1.846   6.918
   14    HB3  LYS   2           HB1      LYS   2   7.021   1.917   7.842
   15    HG2  LYS   2           HG2      LYS   2   5.631   1.405   9.540
   16    HG3  LYS   2           HG1      LYS   2   5.397   3.154   9.566
   17    HD2  LYS   2           HD2      LYS   2   3.220   2.383   9.571
   18    HD3  LYS   2           HD1      LYS   2   3.504   2.652   7.850
   19    HE2  LYS   2           HE2      LYS   2   2.743   0.554   7.618
   20    HE3  LYS   2           HE1      LYS   2   4.363   0.091   8.137
   21    HZ1  LYS   2           HZ1      LYS   2   2.995  -1.109   9.537
   22    HZ2  LYS   2           HZ2      LYS   2   1.865   0.138   9.701
   23    HZ3  LYS   2           HZ3      LYS   2   3.360   0.245  10.485
   24    H    LEU   2           HN       LEU   2   6.412   5.796   5.659
   25    HA   LEU   2           HA       LEU   2   7.116   4.266   3.311
   26    HB2  LEU   2           HB2      LEU   2   6.403   7.103   3.876
   27    HB3  LEU   2           HB1      LEU   2   7.289   6.746   2.405
   28    HG   LEU   2           HG       LEU   2   5.519   5.240   1.670
   29   HD11  LEU   2          HD11      LEU   2   4.671   5.528   4.441
   30   HD12  LEU   2          HD12      LEU   2   4.324   4.253   3.273
   31   HD13  LEU   2          HD13      LEU   2   3.357   5.726   3.284
   32   HD21  LEU   2          HD21      LEU   2   4.725   7.083   0.719
   33   HD22  LEU   2          HD22      LEU   2   5.218   8.072   2.093
   34   HD23  LEU   2          HD23      LEU   2   3.648   7.269   2.102
   35    H    GLU   3           HN       GLU   3   9.127   3.637   4.732
   36    HA   GLU   3           HA       GLU   3  11.308   5.492   4.037
   37    HB2  GLU   3           HB2      GLU   3  12.555   4.429   5.954
   38    HB3  GLU   3           HB1      GLU   3  11.181   5.427   6.411
   39    HG2  GLU   3           HG2      GLU   3   9.841   3.521   6.863
   40    HG3  GLU   3           HG1      GLU   3  11.033   2.438   6.146
   41    H    GLY   4           HN       GLY   4  11.178   4.286   1.951
   42    HA2  GLY   4           HA2      GLY   4  12.856   2.994   0.772
   43    HA3  GLY   4           HA1      GLY   4  12.867   1.874   2.125
   44    H    LYS   5           HN       LYS   5  11.813   2.328  -0.972
   45    HA   LYS   5           HA       LYS   5  10.359  -0.085  -1.039
   46    HB2  LYS   5           HB2      LYS   5   8.126   0.680  -1.471
   47    HB3  LYS   5           HB1      LYS   5   8.653   1.368   0.058
   48    HG2  LYS   5           HG2      LYS   5   9.188   3.058  -2.269
   49    HG3  LYS   5           HG1      LYS   5   7.479   2.756  -1.959
   50    HD2  LYS   5           HD2      LYS   5   7.631   4.450  -0.503
   51    HD3  LYS   5           HD1      LYS   5   8.442   3.288   0.548
   52    HE2  LYS   5           HE2      LYS   5  10.600   4.004  -0.265
   53    HE3  LYS   5           HE1      LYS   5   9.838   5.086  -1.429
   54    HZ1  LYS   5           HZ1      LYS   5   9.143   5.449   1.382
   55    HZ2  LYS   5           HZ2      LYS   5   9.346   6.602   0.160
   56    HZ3  LYS   5           HZ3      LYS   5  10.699   5.918   0.910
   57    H    THR   6           HN       THR   6   8.811   0.197  -3.262
   58    HA   THR   6           HA       THR   6  10.558   1.419  -5.276
   59    HB   THR   6           HB       THR   6  11.256  -0.767  -5.550
   60    HG1  THR   6           HG1      THR   6  10.631  -0.434  -7.555
   61   HG21  THR   6          HG21      THR   6   9.085  -2.475  -5.726
   62   HG22  THR   6          HG22      THR   6   8.754  -1.475  -4.312
   63   HG23  THR   6          HG23      THR   6  10.262  -2.383  -4.417
   64    H    CYS   7           HN       CYS   7   9.519   1.766  -7.349
   65    HA   CYS   7           HA       CYS   7   6.586   1.945  -7.154
   66    HB2  CYS   7           HB2      CYS   7   7.869   4.003  -8.819
   67    HB3  CYS   7           HB1      CYS   7   6.560   4.155  -7.655
   68    H    GLY   8           HN       GLY   8   7.404  -0.254  -8.281
   69    HA2  GLY   8           HA2      GLY   8   6.942   0.202 -11.139
   70    HA3  GLY   8           HA1      GLY   8   8.374  -0.703 -10.679
   71    HA   PRO   9           HA       PRO   9   6.450  -4.654 -10.367
   72    HB2  PRO   9           HB2      PRO   9   6.190  -4.948  -7.543
   73    HB3  PRO   9           HB1      PRO   9   7.452  -5.614  -8.579
   74    HG2  PRO   9           HG2      PRO   9   7.475  -3.171  -6.902
   75    HG3  PRO   9           HG1      PRO   9   8.819  -4.219  -7.387
   76    HD2  PRO   9           HD2      PRO   9   8.485  -1.789  -8.462
   77    HD3  PRO   9           HD1      PRO   9   9.069  -3.155  -9.437
   78    H    SER  10           HN       SER  10   5.147  -3.205  -7.408
   79    HA   SER  10           HA       SER  10   2.528  -2.855  -8.606
   80    HB2  SER  10           HB2      SER  10   2.726  -4.585  -6.145
   81    HB3  SER  10           HB1      SER  10   1.347  -4.360  -7.219
   82    HG   SER  10           HG       SER  10   2.433  -5.533  -8.800
   83    H    SER  11           HN       SER  11   3.067  -0.656  -8.107
   84    HA   SER  11           HA       SER  11   2.497  -0.007  -5.312
   85    HB2  SER  11           HB2      SER  11   4.771   1.186  -6.913
   86    HB3  SER  11           HB1      SER  11   4.259   1.731  -5.316
   87    HG   SER  11           HG       SER  11   6.032  -0.049  -5.749
   88    H    PHE  12           HN       PHE  12   2.138   2.393  -5.051
   89    HA   PHE  12           HA       PHE  12   0.847   3.586  -7.399
   90    HB2  PHE  12           HB2      PHE  12  -1.034   2.720  -6.297
   91    HB3  PHE  12           HB1      PHE  12  -0.365   3.038  -4.702
   92    HD1  PHE  12           HD1      PHE  12  -1.563   4.820  -7.746
   93    HD2  PHE  12           HD2      PHE  12  -1.102   4.867  -3.515
   94    HE1  PHE  12           HE1      PHE  12  -2.843   6.918  -7.634
   95    HE2  PHE  12           HE2      PHE  12  -2.383   6.964  -3.396
   96    HZ   PHE  12           HZ       PHE  12  -3.255   7.992  -5.456
   97    H    SER  13           HN       SER  13   1.653   5.555  -7.733
   98    HA   SER  13           HA       SER  13   3.442   6.819  -5.984
   99    HB2  SER  13           HB2      SER  13   2.133   7.485  -8.540
  100    HB3  SER  13           HB1      SER  13   2.645   8.870  -7.578
  101    HG   SER  13           HG       SER  13   4.733   8.084  -7.596
  102    H    CYS  14           HN       CYS  14   3.060   7.835  -4.138
  103    HA   CYS  14           HA       CYS  14   0.517   8.413  -3.140
  104    HB2  CYS  14           HB2      CYS  14   3.298   9.004  -2.329
  105    HB3  CYS  14           HB1      CYS  14   2.067  10.063  -1.657
  106    HA   PRO  15           HA       PRO  15  -0.406  11.980  -5.752
  107    HB2  PRO  15           HB2      PRO  15  -2.552  12.181  -3.698
  108    HB3  PRO  15           HB1      PRO  15  -2.669  12.245  -5.457
  109    HG2  PRO  15           HG2      PRO  15  -3.406  10.063  -4.125
  110    HG3  PRO  15           HG1      PRO  15  -2.570   9.943  -5.684
  111    HD2  PRO  15           HD2      PRO  15  -1.521   9.477  -2.934
  112    HD3  PRO  15           HD1      PRO  15  -1.103   8.669  -4.454
  113    H    GLY  16           HN       GLY  16   0.490  13.930  -5.560
  114    HA2  GLY  16           HA2      GLY  16   0.798  16.044  -4.585
  115    HA3  GLY  16           HA1      GLY  16   0.274  15.388  -3.044
  116    H    THR  17           HN       THR  17   2.201  13.082  -3.447
  117    HA   THR  17           HA       THR  17   4.679  14.551  -2.837
  118    HB   THR  17           HB       THR  17   5.190  12.661  -1.242
  119    HG1  THR  17           HG1      THR  17   3.344  11.486  -0.529
  120   HG21  THR  17          HG21      THR  17   3.188  14.754  -0.834
  121   HG22  THR  17          HG22      THR  17   4.612  14.333   0.118
  122   HG23  THR  17          HG23      THR  17   3.116  13.421   0.318
  123    H    HIS  18           HN       HIS  18   6.523  13.844  -3.755
  124    HA   HIS  18           HA       HIS  18   6.489  12.293  -6.055
  125    HB2  HIS  18           HB2      HIS  18   8.996  12.165  -5.723
  126    HB3  HIS  18           HB1      HIS  18   8.312  13.788  -5.704
  127    HD1  HIS  18           HD1      HIS  18  10.173  11.366  -3.592
  128    HD2  HIS  18           HD2      HIS  18   8.237  15.015  -3.155
  129    HE1  HIS  18           HE1      HIS  18  10.906  12.296  -1.357
  130    H    VAL  19           HN       VAL  19   6.630  11.328  -2.751
  131    HA   VAL  19           HA       VAL  19   7.874   8.848  -2.908
  132    HB   VAL  19           HB       VAL  19   7.303   9.888  -0.784
  133   HG11  VAL  19          HG11      VAL  19   5.287  10.686  -0.302
  134   HG12  VAL  19          HG12      VAL  19   4.526   9.127  -0.621
  135   HG13  VAL  19          HG13      VAL  19   4.796  10.264  -1.942
  136   HG21  VAL  19          HG21      VAL  19   6.706   7.943   0.411
  137   HG22  VAL  19          HG22      VAL  19   7.531   7.370  -1.039
  138   HG23  VAL  19          HG23      VAL  19   5.771   7.305  -0.943
  139    H    CYS  20           HN       CYS  20   7.082   6.736  -3.112
  140    HA   CYS  20           HA       CYS  20   4.487   6.507  -4.486
  141    HB2  CYS  20           HB2      CYS  20   5.446   4.601  -5.743
  142    HB3  CYS  20           HB1      CYS  20   6.286   6.113  -6.069
  143    H    VAL  21           HN       VAL  21   3.052   5.451  -3.303
  144    HA   VAL  21           HA       VAL  21   3.956   3.689  -1.170
  145    HB   VAL  21           HB       VAL  21   2.288   5.228  -0.481
  146   HG11  VAL  21          HG11      VAL  21   0.016   5.239  -1.564
  147   HG12  VAL  21          HG12      VAL  21   0.721   4.294  -2.873
  148   HG13  VAL  21          HG13      VAL  21   1.321   5.916  -2.536
  149   HG21  VAL  21          HG21      VAL  21   0.523   3.786   0.331
  150   HG22  VAL  21          HG22      VAL  21   2.068   2.941   0.402
  151   HG23  VAL  21          HG23      VAL  21   0.919   2.573  -0.885
  152    HA   PRO  22           HA       PRO  22   3.541   0.099  -3.810
  153    HB2  PRO  22           HB2      PRO  22   3.411  -1.202  -1.136
  154    HB3  PRO  22           HB1      PRO  22   4.411  -1.594  -2.538
  155    HG2  PRO  22           HG2      PRO  22   5.476  -0.346  -0.455
  156    HG3  PRO  22           HG1      PRO  22   5.925   0.117  -2.106
  157    HD2  PRO  22           HD2      PRO  22   4.086   1.483  -0.189
  158    HD3  PRO  22           HD1      PRO  22   5.244   2.187  -1.335
  159    H    GLU  23           HN       GLU  23   2.005  -1.589  -4.186
  160    HA   GLU  23           HA       GLU  23  -0.667  -0.799  -3.838
  161    HB2  GLU  23           HB2      GLU  23   0.673  -2.638  -5.404
  162    HB3  GLU  23           HB1      GLU  23  -0.318  -3.652  -4.365
  163    HG2  GLU  23           HG2      GLU  23  -2.306  -2.426  -5.054
  164    HG3  GLU  23           HG1      GLU  23  -1.315  -1.392  -6.083
  165    H    ARG  24           HN       ARG  24   1.345  -3.090  -2.052
  166    HA   ARG  24           HA       ARG  24  -0.816  -4.117  -0.504
  167    HB2  ARG  24           HB2      ARG  24   1.686  -4.995  -0.915
  168    HB3  ARG  24           HB1      ARG  24   1.930  -4.183   0.624
  169    HG2  ARG  24           HG2      ARG  24  -0.452  -5.807   0.652
  170    HG3  ARG  24           HG1      ARG  24   0.975  -6.748   0.234
  171    HD2  ARG  24           HD2      ARG  24   1.912  -6.484   2.275
  172    HD3  ARG  24           HD1      ARG  24   1.260  -4.858   2.477
  173    HE   ARG  24           HE       ARG  24  -0.615  -7.082   2.643
  174   HH11  ARG  24          HH11      ARG  24   1.309  -4.713   4.336
  175   HH12  ARG  24          HH12      ARG  24   0.389  -4.829   5.797
  176   HH21  ARG  24          HH21      ARG  24  -1.818  -7.242   4.564
  177   HH22  ARG  24          HH22      ARG  24  -1.386  -6.265   5.928
  178    H    TRP  25           HN       TRP  25   1.055  -1.256  -0.400
  179    HA   TRP  25           HA       TRP  25   0.425  -0.735   2.396
  180    HB2  TRP  25           HB2      TRP  25   1.925   0.979   0.407
  181    HB3  TRP  25           HB1      TRP  25   1.807   1.262   2.140
  182    HD1  TRP  25           HD1      TRP  25   2.367  -2.357   1.336
  183    HE1  TRP  25           HE1      TRP  25   4.816  -2.987   1.793
  184    HE3  TRP  25           HE3      TRP  25   4.307   2.332   1.985
  185    HZ2  TRP  25           HZ2      TRP  25   7.248  -1.679   2.350
  186    HZ3  TRP  25           HZ3      TRP  25   6.708   2.550   2.480
  187    HH2  TRP  25           HH2      TRP  25   8.146   0.586   2.661
  188    H    LEU  26           HN       LEU  26  -1.463  -0.744  -0.100
  189    HA   LEU  26           HA       LEU  26  -2.486   1.956  -0.098
  190    HB2  LEU  26           HB2      LEU  26  -2.960  -0.530  -1.598
  191    HB3  LEU  26           HB1      LEU  26  -4.378   0.463  -1.366
  192    HG   LEU  26           HG       LEU  26  -3.506   2.229  -2.624
  193   HD11  LEU  26          HD11      LEU  26  -0.902   1.524  -3.388
  194   HD12  LEU  26          HD12      LEU  26  -0.976   1.304  -1.641
  195   HD13  LEU  26          HD13      LEU  26  -1.398   2.861  -2.351
  196   HD21  LEU  26          HD21      LEU  26  -2.691   1.160  -4.726
  197   HD22  LEU  26          HD22      LEU  26  -4.165   0.448  -4.067
  198   HD23  LEU  26          HD23      LEU  26  -2.617  -0.371  -3.852
  199    H    CYS  27           HN       CYS  27  -3.954  -1.207   0.610
  200    HA   CYS  27           HA       CYS  27  -5.698   0.128   2.576
  201    HB2  CYS  27           HB2      CYS  27  -6.301  -2.552   1.360
  202    HB3  CYS  27           HB1      CYS  27  -7.409  -1.397   2.089
  203    H    ASP  28           HN       ASP  28  -3.137  -0.585   3.354
  204    HA   ASP  28           HA       ASP  28  -3.083  -3.167   4.566
  205    HB2  ASP  28           HB2      ASP  28  -0.903  -2.708   4.778
  206    HB3  ASP  28           HB1      ASP  28  -1.215  -1.148   4.029
  207    H    GLY  29           HN       GLY  29  -4.733  -0.363   5.361
  208    HA2  GLY  29           HA2      GLY  29  -6.294  -0.600   7.243
  209    HA3  GLY  29           HA1      GLY  29  -4.948  -1.244   8.169
  210    H    ASP  30           HN       ASP  30  -3.310   0.962   6.689
  211    HA   ASP  30           HA       ASP  30  -4.186   3.210   8.377
  212    HB2  ASP  30           HB2      ASP  30  -1.844   1.691   8.724
  213    HB3  ASP  30           HB1      ASP  30  -1.320   3.205   7.994
  214    H    LYS  31           HN       LYS  31  -2.764   5.241   7.673
  215    HA   LYS  31           HA       LYS  31  -3.124   5.442   4.764
  216    HB2  LYS  31           HB2      LYS  31  -3.045   7.541   6.931
  217    HB3  LYS  31           HB1      LYS  31  -3.063   7.928   5.219
  218    HG2  LYS  31           HG2      LYS  31  -5.213   6.878   4.955
  219    HG3  LYS  31           HG1      LYS  31  -5.187   6.335   6.633
  220    HD2  LYS  31           HD2      LYS  31  -5.752   8.371   7.438
  221    HD3  LYS  31           HD1      LYS  31  -4.811   9.229   6.216
  222    HE2  LYS  31           HE2      LYS  31  -6.624   9.576   4.979
  223    HE3  LYS  31           HE1      LYS  31  -7.022   7.859   4.992
  224    HZ1  LYS  31           HZ1      LYS  31  -7.602   9.343   7.428
  225    HZ2  LYS  31           HZ2      LYS  31  -8.488   8.119   6.669
  226    HZ3  LYS  31           HZ3      LYS  31  -8.567   9.704   6.085
  227    H    ASP  32           HN       ASP  32  -1.198   4.690   3.977
  228    HA   ASP  32           HA       ASP  32   1.339   5.346   5.033
  229    HB2  ASP  32           HB2      ASP  32   0.338   4.059   2.545
  230    HB3  ASP  32           HB1      ASP  32   1.987   4.665   2.533
  231    H    CYS  33           HN       CYS  33  -0.595   6.734   2.409
  232    HA   CYS  33           HA       CYS  33   1.400   8.590   1.587
  233    HB2  CYS  33           HB2      CYS  33  -1.563   8.373   1.105
  234    HB3  CYS  33           HB1      CYS  33  -0.646   9.753   0.520
  235    H    ALA  34           HN       ALA  34   0.457  11.038   1.497
  236    HA   ALA  34           HA       ALA  34   0.776  11.999   4.143
  237    HB1  ALA  34           HB1      ALA  34  -0.304  13.730   1.973
  238    HB2  ALA  34           HB2      ALA  34   1.334  13.092   1.836
  239    HB3  ALA  34           HB3      ALA  34   0.892  14.095   3.217
  240    H    ASP  35           HN       ASP  35  -2.026  11.796   1.973
  241    HA   ASP  35           HA       ASP  35  -3.743  12.443   4.280
  242    HB2  ASP  35           HB2      ASP  35  -3.830  13.317   1.446
  243    HB3  ASP  35           HB1      ASP  35  -5.378  12.971   2.211
  244    H    GLY  36           HN       GLY  36  -2.762   9.799   3.502
  245    HA2  GLY  36           HA2      GLY  36  -3.624   7.666   3.433
  246    HA3  GLY  36           HA1      GLY  36  -5.203   8.378   3.724
  247    H    ALA  37           HN       ALA  37  -3.357   9.418   0.982
  248    HA   ALA  37           HA       ALA  37  -5.359   8.872  -0.872
  249    HB1  ALA  37           HB1      ALA  37  -2.437   9.444  -1.099
  250    HB2  ALA  37           HB2      ALA  37  -3.816  10.419  -1.610
  251    HB3  ALA  37           HB3      ALA  37  -3.358   8.987  -2.532
  252    H    ASP  38           HN       ASP  38  -2.701   6.906   0.286
  253    HA   ASP  38           HA       ASP  38  -2.755   4.876  -1.647
  254    HB2  ASP  38           HB2      ASP  38  -1.552   3.533  -0.059
  255    HB3  ASP  38           HB1      ASP  38  -1.003   5.190   0.134
  256    H    GLU  39           HN       GLU  39  -4.558   5.327   1.348
  257    HA   GLU  39           HA       GLU  39  -6.028   2.875   1.088
  258    HB2  GLU  39           HB2      GLU  39  -6.497   5.291   2.844
  259    HB3  GLU  39           HB1      GLU  39  -7.373   3.773   2.971
  260    HG2  GLU  39           HG2      GLU  39  -4.401   3.771   3.159
  261    HG3  GLU  39           HG1      GLU  39  -5.366   4.275   4.545
  262    H    SER  40           HN       SER  40  -6.275   6.054  -0.150
  263    HA   SER  40           HA       SER  40  -9.078   6.169  -0.563
  264    HB2  SER  40           HB2      SER  40  -6.898   7.590  -2.106
  265    HB3  SER  40           HB1      SER  40  -8.599   8.047  -2.032
  266    HG   SER  40           HG       SER  40  -6.833   7.957   0.190
  267    H    ILE  41           HN       ILE  41  -9.978   6.365  -2.831
  268    HA   ILE  41           HA       ILE  41  -9.592   3.867  -4.147
  269    HB   ILE  41           HB       ILE  41 -11.771   5.099  -3.946
  270   HG12  ILE  41          HG12      ILE  41 -12.240   4.665  -6.543
  271   HG13  ILE  41          HG11      ILE  41 -10.671   3.881  -6.415
  272   HG21  ILE  41          HG21      ILE  41 -10.824   7.311  -4.598
  273   HG22  ILE  41          HG22      ILE  41 -12.301   6.866  -5.456
  274   HG23  ILE  41          HG23      ILE  41 -10.737   6.720  -6.259
  275   HD11  ILE  41          HD11      ILE  41 -13.170   2.821  -5.763
  276   HD12  ILE  41          HD12      ILE  41 -12.342   3.090  -4.229
  277   HD13  ILE  41          HD13      ILE  41 -11.585   2.101  -5.478
  278    H    ALA  42           HN       ALA  42  -8.298   7.037  -4.532
  279    HA   ALA  42           HA       ALA  42  -7.666   7.186  -7.210
  280    HB1  ALA  42           HB1      ALA  42  -7.101   9.094  -6.083
  281    HB2  ALA  42           HB2      ALA  42  -5.508   8.354  -6.239
  282    HB3  ALA  42           HB3      ALA  42  -6.400   8.214  -4.724
  283    H    ALA  43           HN       ALA  43  -6.316   5.158  -4.745
  284    HA   ALA  43           HA       ALA  43  -4.113   4.294  -6.461
  285    HB1  ALA  43           HB1      ALA  43  -3.941   4.812  -3.934
  286    HB2  ALA  43           HB2      ALA  43  -3.128   3.378  -4.565
  287    HB3  ALA  43           HB3      ALA  43  -4.671   3.221  -3.724
  288    H    GLY  44           HN       GLY  44  -7.242   3.302  -5.390
  289    HA2  GLY  44           HA2      GLY  44  -8.400   1.605  -6.677
  290    HA3  GLY  44           HA1      GLY  44  -6.875   0.736  -6.799
  291    H    CYS  45           HN       CYS  45  -8.113   2.251  -3.895
  292    HA   CYS  45           HA       CYS  45  -7.861  -0.223  -2.449
  293    HB2  CYS  45           HB2      CYS  45  -7.296   2.166  -1.634
  294    HB3  CYS  45           HB1      CYS  45  -9.024   2.318  -1.341
  295    H    LEU  46           HN       LEU  46 -10.249   0.869  -4.398
  296    HA   LEU  46           HA       LEU  46 -12.426   0.296  -4.703
  297    HB2  LEU  46           HB2      LEU  46 -12.183  -1.602  -2.387
  298    HB3  LEU  46           HB1      LEU  46 -13.253  -1.712  -3.769
  299    HG   LEU  46           HG       LEU  46 -11.749  -3.294  -4.381
  300   HD11  LEU  46          HD11      LEU  46 -11.595  -1.245  -5.950
  301   HD12  LEU  46          HD12      LEU  46 -10.414  -2.545  -6.112
  302   HD13  LEU  46          HD13      LEU  46  -9.978  -1.058  -5.272
  303   HD21  LEU  46          HD21      LEU  46  -9.222  -2.086  -3.546
  304   HD22  LEU  46          HD22      LEU  46  -9.845  -3.716  -3.293
  305   HD23  LEU  46          HD23      LEU  46 -10.339  -2.408  -2.219
  306    H    TYR  47           HN       TYR  47 -11.431   2.160  -2.411
  307    HA   TYR  47           HA       TYR  47 -13.934   3.149  -1.668
  308    HB2  TYR  47           HB2      TYR  47 -14.122   2.528   0.650
  309    HB3  TYR  47           HB1      TYR  47 -13.979   1.051  -0.296
  310    HD1  TYR  47           HD1      TYR  47 -12.156   3.349   1.951
  311    HD2  TYR  47           HD2      TYR  47 -12.168  -0.450   0.038
  312    HE1  TYR  47           HE1      TYR  47 -10.262   2.648   3.348
  313    HE2  TYR  47           HE2      TYR  47 -10.272  -1.164   1.431
  314    HH   TYR  47           HH       TYR  47  -9.132  -0.643   3.406
  315    H    ASN  48           HN       ASN  48 -13.567   4.555   0.527
  316    HA   ASN  48           HA       ASN  48 -10.991   5.541   1.043
  317    HB2  ASN  48           HB2      ASN  48 -11.082   6.361  -1.249
  318    HB3  ASN  48           HB1      ASN  48 -12.603   7.175  -0.922
  319   HD21  ASN  48          HD21      ASN  48  -9.710   7.014   1.095
  320   HD22  ASN  48          HD22      ASN  48  -9.395   8.711   1.083
  321    H    SER  49           HN       SER  49 -13.384   4.842   2.446
  322    HA   SER  49           HA       SER  49 -13.459   6.769   4.415
  323    HB2  SER  49           HB2      SER  49 -15.030   7.543   2.145
  324    HB3  SER  49           HB1      SER  49 -16.106   7.245   3.509
  325    HG   SER  49           HG       SER  49 -15.333   9.398   3.477
  326    H    THR  50           HN       THR  50 -16.454   5.457   3.078
  327    HA   THR  50           HA       THR  50 -18.008   4.073   4.014
  328    HB   THR  50           HB       THR  50 -17.293   1.827   4.216
  329    HG1  THR  50           HG1      THR  50 -14.664   2.792   4.658
  330   HG21  THR  50          HG21      THR  50 -16.073   3.446   2.160
  331   HG22  THR  50          HG22      THR  50 -16.807   1.845   2.056
  332   HG23  THR  50          HG23      THR  50 -15.115   2.011   2.526
  333    H    GLY  51           HN       GLY  51 -16.762   6.024   5.859
  334    HA2  GLY  51           HA2      GLY  51 -16.577   6.474   8.113
  335    HA3  GLY  51           HA1      GLY  51 -18.060   5.539   8.188
  336    H    SER  52           HN       SER  52 -14.993   4.122   7.253
  337    HA   SER  52           HA       SER  52 -14.466   3.103   9.902
  338    HB2  SER  52           HB2      SER  52 -15.484   1.314   7.698
  339    HB3  SER  52           HB1      SER  52 -14.542   0.693   9.053
  340    HG   SER  52           HG       SER  52 -17.086   1.000   9.034
  341    H    GLY  53           HN       GLY  53 -13.698   1.633   6.771
  342    HA2  GLY  53           HA2      GLY  53 -11.399   2.727   5.970
  343    HA3  GLY  53           HA1      GLY  53 -10.865   1.850   7.397
  344    H    SER  54           HN       SER  54 -10.624  -0.348   7.315
  345    HA   SER  54           HA       SER  54 -10.176  -1.554   4.827
  346    HB2  SER  54           HB2      SER  54  -9.982  -3.665   6.098
  347    HB3  SER  54           HB1      SER  54  -9.088  -2.350   6.859
  348    HG   SER  54           HG       SER  54 -10.424  -3.671   8.291
  349    H    GLY  55           HN       GLY  55 -12.055  -1.225   3.573
  350    HA2  GLY  55           HA2      GLY  55 -14.343  -2.924   4.352
  351    HA3  GLY  55           HA1      GLY  55 -14.497  -1.454   3.402
  352    H    SER  56           HN       SER  56 -15.231  -2.104   1.475
  353    HA   SER  56           HA       SER  56 -15.455  -3.285  -0.468
  354    HB2  SER  56           HB2      SER  56 -13.468  -3.400  -1.787
  355    HB3  SER  56           HB1      SER  56 -13.299  -1.982  -0.753
  356    HG   SER  56           HG       SER  56 -11.579  -2.861   0.046
  357    H    GLY  57           HN       GLY  57 -15.437  -4.880   2.018
  358    HA2  GLY  57           HA2      GLY  57 -15.489  -7.088   2.636
  359    HA3  GLY  57           HA1      GLY  57 -15.576  -7.444   0.917
  360    H    SER 129           HN       SER 129 -14.330  -9.358   1.566
  361    HA   SER 129           HA       SER 129 -11.757  -9.280   2.633
  362    HB2  SER 129           HB2      SER 129 -12.375 -11.297   0.523
  363    HB3  SER 129           HB1      SER 129 -11.626 -11.517   2.104
  364    HG   SER 129           HG       SER 129 -13.804 -10.976   2.944
  365    H    THR 130           HN       THR 130 -12.885  -8.370  -0.493
  366    HA   THR 130           HA       THR 130 -10.699  -8.765  -2.120
  367    HB   THR 130           HB       THR 130 -12.049  -6.137  -2.365
  368    HG1  THR 130           HG1      THR 130 -13.976  -7.156  -3.042
  369   HG21  THR 130          HG21      THR 130 -11.078  -6.527  -4.351
  370   HG22  THR 130          HG22      THR 130 -12.557  -7.441  -4.648
  371   HG23  THR 130          HG23      THR 130 -11.090  -8.278  -4.138
  372    H    GLU 131           HN       GLU 131 -11.117  -6.457   0.453
  373    HA   GLU 131           HA       GLU 131  -9.101  -4.628  -0.201
  374    HB2  GLU 131           HB2      GLU 131 -10.874  -4.474   1.640
  375    HB3  GLU 131           HB1      GLU 131  -9.787  -5.449   2.617
  376    HG2  GLU 131           HG2      GLU 131  -8.543  -3.109   1.369
  377    HG3  GLU 131           HG1      GLU 131  -9.807  -2.742   2.542
  378    H    GLU 132           HN       GLU 132  -8.906  -7.271   2.190
  379    HA   GLU 132           HA       GLU 132  -6.091  -7.139   2.424
  380    HB2  GLU 132           HB2      GLU 132  -7.713  -9.603   3.016
  381    HB3  GLU 132           HB1      GLU 132  -6.251  -9.038   3.813
  382    HG2  GLU 132           HG2      GLU 132  -8.290  -7.057   4.073
  383    HG3  GLU 132           HG1      GLU 132  -8.925  -8.622   4.575
  384    H    LEU 133           HN       LEU 133  -8.211  -8.771   0.219
  385    HA   LEU 133           HA       LEU 133  -6.550 -10.820  -0.685
  386    HB2  LEU 133           HB2      LEU 133  -8.903  -9.371  -1.699
  387    HB3  LEU 133           HB1      LEU 133  -7.918 -10.136  -2.931
  388    HG   LEU 133           HG       LEU 133  -8.205 -12.301  -1.875
  389   HD11  LEU 133          HD11      LEU 133 -10.197 -11.275   0.062
  390   HD12  LEU 133          HD12      LEU 133  -8.492 -11.057   0.454
  391   HD13  LEU 133          HD13      LEU 133  -9.130 -12.675   0.164
  392   HD21  LEU 133          HD21      LEU 133 -10.485 -10.657  -2.735
  393   HD22  LEU 133          HD22      LEU 133 -10.904 -12.131  -1.862
  394   HD23  LEU 133          HD23      LEU 133  -9.923 -12.221  -3.325
  395    H    ARG 134           HN       ARG 134  -7.209  -7.873  -2.572
  396    HA   ARG 134           HA       ARG 134  -5.065  -8.084  -4.302
  397    HB2  ARG 134           HB2      ARG 134  -5.387  -5.720  -4.785
  398    HB3  ARG 134           HB1      ARG 134  -6.943  -6.519  -4.606
  399    HG2  ARG 134           HG2      ARG 134  -7.138  -5.636  -2.336
  400    HG3  ARG 134           HG1      ARG 134  -5.578  -4.832  -2.517
  401    HD2  ARG 134           HD2      ARG 134  -8.130  -4.280  -4.012
  402    HD3  ARG 134           HD1      ARG 134  -7.261  -3.201  -2.922
  403    HE   ARG 134           HE       ARG 134  -6.684  -3.709  -5.701
  404   HH11  ARG 134          HH11      ARG 134  -5.415  -2.558  -2.659
  405   HH12  ARG 134          HH12      ARG 134  -4.172  -1.605  -3.396
  406   HH21  ARG 134          HH21      ARG 134  -5.050  -2.456  -6.671
  407   HH22  ARG 134          HH22      ARG 134  -3.966  -1.545  -5.673
  408    H    VAL 135           HN       VAL 135  -5.201  -6.639  -1.106
  409    HA   VAL 135           HA       VAL 135  -2.635  -5.431  -1.169
  410    HB   VAL 135           HB       VAL 135  -4.307  -6.292   1.196
  411   HG11  VAL 135          HG11      VAL 135  -1.945  -4.427   1.052
  412   HG12  VAL 135          HG12      VAL 135  -2.013  -5.983   1.877
  413   HG13  VAL 135          HG13      VAL 135  -2.987  -4.634   2.458
  414   HG21  VAL 135          HG21      VAL 135  -4.035  -3.476   0.266
  415   HG22  VAL 135          HG22      VAL 135  -5.354  -4.252   1.143
  416   HG23  VAL 135          HG23      VAL 135  -5.141  -4.558  -0.581
  417    H    ARG 136           HN       ARG 136  -3.685  -8.198   0.816
  418    HA   ARG 136           HA       ARG 136  -1.351  -9.153   1.740
  419    HB2  ARG 136           HB2      ARG 136  -3.718 -10.691   0.693
  420    HB3  ARG 136           HB1      ARG 136  -2.369 -11.482   1.496
  421    HG2  ARG 136           HG2      ARG 136  -2.804 -10.366   3.533
  422    HG3  ARG 136           HG1      ARG 136  -3.931  -9.250   2.761
  423    HD2  ARG 136           HD2      ARG 136  -5.635 -10.702   2.887
  424    HD3  ARG 136           HD1      ARG 136  -4.628 -12.067   2.409
  425    HE   ARG 136           HE       ARG 136  -3.924 -11.395   5.011
  426   HH11  ARG 136          HH11      ARG 136  -6.727 -12.584   3.305
  427   HH12  ARG 136          HH12      ARG 136  -7.344 -13.453   4.670
  428   HH21  ARG 136          HH21      ARG 136  -4.735 -12.537   6.808
  429   HH22  ARG 136          HH22      ARG 136  -6.214 -13.426   6.659
  430    H    LEU 137           HN       LEU 137  -2.618  -9.894  -1.499
  431    HA   LEU 137           HA       LEU 137  -0.779 -11.714  -2.385
  432    HB2  LEU 137           HB2      LEU 137  -2.813 -10.662  -3.572
  433    HB3  LEU 137           HB1      LEU 137  -1.671  -9.467  -4.157
  434    HG   LEU 137           HG       LEU 137  -2.100 -11.279  -5.784
  435   HD11  LEU 137          HD11      LEU 137   0.714 -11.750  -5.074
  436   HD12  LEU 137          HD12      LEU 137   0.241 -10.057  -5.218
  437   HD13  LEU 137          HD13      LEU 137   0.001 -11.158  -6.576
  438   HD21  LEU 137          HD21      LEU 137  -1.799 -13.479  -5.356
  439   HD22  LEU 137          HD22      LEU 137  -2.132 -12.966  -3.702
  440   HD23  LEU 137          HD23      LEU 137  -0.466 -13.193  -4.237
  441    H    ALA 138           HN       ALA 138  -0.275  -8.304  -1.869
  442    HA   ALA 138           HA       ALA 138   2.324  -8.416  -3.204
  443    HB1  ALA 138           HB1      ALA 138   1.197  -6.502  -3.860
  444    HB2  ALA 138           HB2      ALA 138   2.292  -5.915  -2.608
  445    HB3  ALA 138           HB3      ALA 138   0.588  -6.183  -2.235
  446    H    SER 139           HN       SER 139   1.204  -9.112  -0.197
  447    HA   SER 139           HA       SER 139   3.149  -7.756   1.405
  448    HB2  SER 139           HB2      SER 139   1.129  -8.291   2.501
  449    HB3  SER 139           HB1      SER 139   1.178  -9.965   1.957
  450    HG   SER 139           HG       SER 139   3.021  -8.771   3.756
  451    H    HIS 140           HN       HIS 140   3.526 -10.261  -0.726
  452    HA   HIS 140           HA       HIS 140   5.325 -11.840   0.908
  453    HB2  HIS 140           HB2      HIS 140   5.393 -12.334  -1.986
  454    HB3  HIS 140           HB1      HIS 140   5.149 -13.457  -0.656
  455    HD1  HIS 140           HD1      HIS 140   2.467 -11.992   0.373
  456    HD2  HIS 140           HD2      HIS 140   3.315 -13.275  -3.484
  457    HE1  HIS 140           HE1      HIS 140   0.240 -12.297  -0.779
  458    H    LEU 141           HN       LEU 141   5.518  -9.274  -1.426
  459    HA   LEU 141           HA       LEU 141   8.449  -9.516  -1.416
  460    HB2  LEU 141           HB2      LEU 141   7.531  -9.640  -3.640
  461    HB3  LEU 141           HB1      LEU 141   6.606  -8.172  -3.384
  462    HG   LEU 141           HG       LEU 141   9.233  -7.396  -2.905
  463   HD11  LEU 141          HD11      LEU 141  10.091  -9.454  -3.822
  464   HD12  LEU 141          HD12      LEU 141  10.432  -8.122  -4.927
  465   HD13  LEU 141          HD13      LEU 141   9.119  -9.246  -5.280
  466   HD21  LEU 141          HD21      LEU 141   7.488  -6.101  -4.029
  467   HD22  LEU 141          HD22      LEU 141   7.620  -7.150  -5.441
  468   HD23  LEU 141          HD23      LEU 141   8.980  -6.132  -4.969
  469    H    ARG 142           HN       ARG 142   6.148  -6.838  -1.888
  470    HA   ARG 142           HA       ARG 142   7.767  -4.809  -1.015
  471    HB2  ARG 142           HB2      ARG 142   4.939  -5.183  -1.492
  472    HB3  ARG 142           HB1      ARG 142   5.204  -4.080  -0.153
  473    HG2  ARG 142           HG2      ARG 142   5.100  -3.350  -2.748
  474    HG3  ARG 142           HG1      ARG 142   5.923  -2.434  -1.490
  475    HD2  ARG 142           HD2      ARG 142   7.412  -4.570  -2.939
  476    HD3  ARG 142           HD1      ARG 142   7.122  -3.034  -3.752
  477    HE   ARG 142           HE       ARG 142   8.140  -2.208  -1.432
  478   HH11  ARG 142          HH11      ARG 142   9.210  -4.702  -3.628
  479   HH12  ARG 142          HH12      ARG 142  10.876  -4.548  -3.188
  480   HH21  ARG 142          HH21      ARG 142  10.333  -2.016  -0.846
  481   HH22  ARG 142          HH22      ARG 142  11.514  -3.024  -1.612
  482    H    LYS 143           HN       LYS 143   5.125  -6.028   1.053
  483    HA   LYS 143           HA       LYS 143   6.181  -4.888   3.390
  484    HB2  LYS 143           HB2      LYS 143   3.851  -6.274   2.674
  485    HB3  LYS 143           HB1      LYS 143   4.566  -7.198   3.988
  486    HG2  LYS 143           HG2      LYS 143   2.994  -5.553   4.831
  487    HG3  LYS 143           HG1      LYS 143   4.632  -5.193   5.373
  488    HD2  LYS 143           HD2      LYS 143   4.860  -3.469   3.710
  489    HD3  LYS 143           HD1      LYS 143   3.302  -3.893   3.001
  490    HE2  LYS 143           HE2      LYS 143   3.342  -1.859   4.514
  491    HE3  LYS 143           HE1      LYS 143   2.118  -3.075   4.869
  492    HZ1  LYS 143           HZ1      LYS 143   3.210  -3.755   6.757
  493    HZ2  LYS 143           HZ2      LYS 143   3.536  -2.095   6.774
  494    HZ3  LYS 143           HZ3      LYS 143   4.717  -3.182   6.242
  495    H    LEU 144           HN       LEU 144   6.838  -7.933   1.832
  496    HA   LEU 144           HA       LEU 144   8.176  -9.006   4.178
  497    HB2  LEU 144           HB2      LEU 144   6.982 -10.114   1.880
  498    HB3  LEU 144           HB1      LEU 144   8.687 -10.507   1.776
  499    HG   LEU 144           HG       LEU 144   7.213 -11.022   4.328
  500   HD11  LEU 144          HD11      LEU 144   5.752 -12.100   2.845
  501   HD12  LEU 144          HD12      LEU 144   6.849 -13.365   3.399
  502   HD13  LEU 144          HD13      LEU 144   7.069 -12.642   1.805
  503   HD21  LEU 144          HD21      LEU 144   8.891 -12.647   4.677
  504   HD22  LEU 144          HD22      LEU 144   9.719 -11.216   4.061
  505   HD23  LEU 144          HD23      LEU 144   9.407 -12.584   2.991
  506    H    ARG 145           HN       ARG 145   9.349  -8.966   0.821
  507    HA   ARG 145           HA       ARG 145  12.043  -8.936   1.372
  508    HB2  ARG 145           HB2      ARG 145  10.363  -8.357  -0.931
  509    HB3  ARG 145           HB1      ARG 145  11.816  -7.369  -0.926
  510    HG2  ARG 145           HG2      ARG 145  12.104  -9.438  -2.188
  511    HG3  ARG 145           HG1      ARG 145  13.197  -9.352  -0.805
  512    HD2  ARG 145           HD2      ARG 145  11.297 -10.658   0.416
  513    HD3  ARG 145           HD1      ARG 145  10.789 -11.073  -1.221
  514    HE   ARG 145           HE       ARG 145  13.574 -11.564  -0.744
  515   HH11  ARG 145          HH11      ARG 145  10.357 -12.873  -0.403
  516   HH12  ARG 145          HH12      ARG 145  10.894 -14.519  -0.383
  517   HH21  ARG 145          HH21      ARG 145  14.282 -13.729  -0.718
  518   HH22  ARG 145          HH22      ARG 145  13.122 -15.005  -0.561
  519    H    LYS 146           HN       LYS 146  10.228  -6.042   0.356
  520    HA   LYS 146           HA       LYS 146  10.466  -3.837   0.847
  521    HB2  LYS 146           HB2      LYS 146  10.084  -4.751   3.163
  522    HB3  LYS 146           HB1      LYS 146  11.829  -4.755   3.377
  523    HG2  LYS 146           HG2      LYS 146  11.241  -2.762   4.353
  524    HG3  LYS 146           HG1      LYS 146  11.651  -2.247   2.716
  525    HD2  LYS 146           HD2      LYS 146   9.644  -1.267   2.675
  526    HD3  LYS 146           HD1      LYS 146   8.975  -2.893   2.527
  527    HE2  LYS 146           HE2      LYS 146   9.532  -2.385   5.276
  528    HE3  LYS 146           HE1      LYS 146   8.622  -1.021   4.627
  529    HZ1  LYS 146           HZ1      LYS 146   7.468  -3.216   5.536
  530    HZ2  LYS 146           HZ2      LYS 146   7.665  -3.678   3.921
  531    HZ3  LYS 146           HZ3      LYS 146   6.794  -2.278   4.299
  532    H    ARG 147           HN       ARG 147  12.356  -4.779  -0.872
  533    HA   ARG 147           HA       ARG 147  14.357  -4.249  -1.815
  534    HB2  ARG 147           HB2      ARG 147  13.701  -1.959  -1.482
  535    HB3  ARG 147           HB1      ARG 147  14.195  -2.011   0.204
  536    HG2  ARG 147           HG2      ARG 147  16.388  -2.714  -1.528
  537    HG3  ARG 147           HG1      ARG 147  15.701  -1.151  -1.974
  538    HD2  ARG 147           HD2      ARG 147  16.157  -0.217   0.100
  539    HD3  ARG 147           HD1      ARG 147  16.274  -1.788   0.890
  540    HE   ARG 147           HE       ARG 147  18.320  -1.527  -1.034
  541   HH11  ARG 147          HH11      ARG 147  17.383  -0.338   2.111
  542   HH12  ARG 147          HH12      ARG 147  19.010  -0.033   2.619
  543   HH21  ARG 147          HH21      ARG 147  20.463  -1.126  -0.365
  544   HH22  ARG 147          HH22      ARG 147  20.758  -0.480   1.214
  545    H    LEU 148           HN       LEU 148  15.434  -6.112  -1.204
  546    HA   LEU 148           HA       LEU 148  17.090  -7.347  -0.268
  547    HB2  LEU 148           HB2      LEU 148  17.935  -4.567   0.453
  548    HB3  LEU 148           HB1      LEU 148  18.833  -5.943   1.065
  549    HG   LEU 148           HG       LEU 148  19.326  -6.675  -1.204
  550   HD11  LEU 148          HD11      LEU 148  17.471  -4.447  -1.920
  551   HD12  LEU 148          HD12      LEU 148  17.538  -6.096  -2.542
  552   HD13  LEU 148          HD13      LEU 148  18.757  -4.919  -3.031
  553   HD21  LEU 148          HD21      LEU 148  20.476  -4.601   0.088
  554   HD22  LEU 148          HD22      LEU 148  20.027  -3.826  -1.432
  555   HD23  LEU 148          HD23      LEU 148  21.059  -5.257  -1.442
  556    H    LEU 149           HN       LEU 149  17.081  -4.975   2.357
  557    HA   LEU 149           HA       LEU 149  16.938  -6.929   4.362
  558    HB2  LEU 149           HB2      LEU 149  16.230  -4.870   5.796
  559    HB3  LEU 149           HB1      LEU 149  17.849  -4.979   5.138
  560    HG   LEU 149           HG       LEU 149  17.336  -3.393   3.409
  561   HD11  LEU 149          HD11      LEU 149  14.996  -4.170   3.038
  562   HD12  LEU 149          HD12      LEU 149  15.182  -2.417   3.078
  563   HD13  LEU 149          HD13      LEU 149  14.524  -3.266   4.476
  564   HD21  LEU 149          HD21      LEU 149  16.013  -2.025   5.660
  565   HD22  LEU 149          HD22      LEU 149  17.436  -1.564   4.725
  566   HD23  LEU 149          HD23      LEU 149  17.575  -2.766   6.009
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1   4.484  12.977   7.253
    2    H2   GLY   1           HT2      GLY   1   4.895  13.848   5.863
    3    H3   GLY   1           HT3      GLY   1   6.078  13.497   7.020
    4    HA2  GLY   1           HA1      GLY   1   5.031  11.857   4.884
    5    HA3  GLY   1           HA2      GLY   1   6.605  11.811   5.665
    6    H    SER   2           HN       SER   2   6.271   9.465   5.498
    7    HA   SER   2           HA       SER   2   5.365   8.404   7.989
    8    HB2  SER   2           HB2      SER   2   3.895   7.350   5.576
    9    HB3  SER   2           HB1      SER   2   3.542   7.069   7.281
   10    HG   SER   2           HG       SER   2   2.197   8.664   7.023
   11    H    LYS   2           HN       LYS   2   5.013   5.710   7.087
   12    HA   LYS   2           HA       LYS   2   7.726   4.907   6.892
   13    HB2  LYS   2           HB2      LYS   2   5.443   3.079   6.228
   14    HB3  LYS   2           HB1      LYS   2   6.951   2.709   7.049
   15    HG2  LYS   2           HG2      LYS   2   5.760   2.766   8.926
   16    HG3  LYS   2           HG1      LYS   2   5.772   4.521   8.741
   17    HD2  LYS   2           HD2      LYS   2   3.506   3.788   9.100
   18    HD3  LYS   2           HD1      LYS   2   3.668   4.347   7.435
   19    HE2  LYS   2           HE2      LYS   2   2.369   2.240   7.671
   20    HE3  LYS   2           HE1      LYS   2   3.777   2.100   6.621
   21    HZ1  LYS   2           HZ1      LYS   2   4.968   0.961   8.294
   22    HZ2  LYS   2           HZ2      LYS   2   3.441   0.235   8.236
   23    HZ3  LYS   2           HZ3      LYS   2   3.815   1.318   9.480
   24    H    LEU   2           HN       LEU   2   7.996   6.357   4.891
   25    HA   LEU   2           HA       LEU   2   7.859   4.617   2.542
   26    HB2  LEU   2           HB2      LEU   2   6.348   7.046   2.922
   27    HB3  LEU   2           HB1      LEU   2   7.444   7.216   1.564
   28    HG   LEU   2           HG       LEU   2   6.481   5.256   0.494
   29   HD11  LEU   2          HD11      LEU   2   5.856   3.803   2.187
   30   HD12  LEU   2          HD12      LEU   2   4.309   4.378   1.571
   31   HD13  LEU   2          HD13      LEU   2   4.966   5.044   3.067
   32   HD21  LEU   2          HD21      LEU   2   5.230   7.716   0.855
   33   HD22  LEU   2          HD22      LEU   2   3.951   6.522   1.073
   34   HD23  LEU   2          HD23      LEU   2   4.903   6.533  -0.412
   35    H    GLU   3           HN       GLU   3   9.840   4.424   1.723
   36    HA   GLU   3           HA       GLU   3  11.581   6.761   1.607
   37    HB2  GLU   3           HB2      GLU   3  13.507   5.266   2.396
   38    HB3  GLU   3           HB1      GLU   3  12.398   5.877   3.615
   39    HG2  GLU   3           HG2      GLU   3  11.234   3.509   2.944
   40    HG3  GLU   3           HG1      GLU   3  12.948   3.136   2.773
   41    H    GLY   4           HN       GLY   4  11.537   3.249   0.924
   42    HA2  GLY   4           HA2      GLY   4  11.862   3.714  -1.889
   43    HA3  GLY   4           HA1      GLY   4  13.341   3.144  -1.133
   44    H    LYS   5           HN       LYS   5  11.700   1.853  -3.161
   45    HA   LYS   5           HA       LYS   5  11.796  -0.778  -2.257
   46    HB2  LYS   5           HB2      LYS   5   9.954  -0.326  -0.813
   47    HB3  LYS   5           HB1      LYS   5   9.068   0.487  -2.094
   48    HG2  LYS   5           HG2      LYS   5   8.939  -1.683  -3.296
   49    HG3  LYS   5           HG1      LYS   5   9.678  -2.448  -1.890
   50    HD2  LYS   5           HD2      LYS   5   7.259  -0.748  -1.528
   51    HD3  LYS   5           HD1      LYS   5   7.074  -2.384  -2.160
   52    HE2  LYS   5           HE2      LYS   5   8.181  -1.508   0.485
   53    HE3  LYS   5           HE1      LYS   5   6.816  -2.576   0.168
   54    HZ1  LYS   5           HZ1      LYS   5   9.681  -3.153   0.117
   55    HZ2  LYS   5           HZ2      LYS   5   8.704  -3.976  -0.991
   56    HZ3  LYS   5           HZ3      LYS   5   8.397  -4.108   0.667
   57    H    THR   6           HN       THR   6   9.050   0.514  -4.060
   58    HA   THR   6           HA       THR   6  10.205   0.257  -6.634
   59    HB   THR   6           HB       THR   6  10.090  -2.128  -6.145
   60    HG1  THR   6           HG1      THR   6   8.869  -2.725  -7.932
   61   HG21  THR   6          HG21      THR   6   7.699  -1.518  -4.822
   62   HG22  THR   6          HG22      THR   6   8.455  -3.099  -5.026
   63   HG23  THR   6          HG23      THR   6   7.266  -2.532  -6.198
   64    H    CYS   7           HN       CYS   7   8.532   0.484  -8.365
   65    HA   CYS   7           HA       CYS   7   5.959   1.487  -7.428
   66    HB2  CYS   7           HB2      CYS   7   7.268   3.244  -9.417
   67    HB3  CYS   7           HB1      CYS   7   6.208   3.657  -8.077
   68    H    GLY   8           HN       GLY   8   6.543  -0.870  -8.847
   69    HA2  GLY   8           HA2      GLY   8   5.270  -0.239 -11.435
   70    HA3  GLY   8           HA1      GLY   8   6.596  -1.386 -11.335
   71    HA   PRO   9           HA       PRO   9   3.781  -4.706 -10.707
   72    HB2  PRO   9           HB2      PRO   9   5.403  -5.728  -8.467
   73    HB3  PRO   9           HB1      PRO   9   5.048  -6.472 -10.027
   74    HG2  PRO   9           HG2      PRO   9   7.483  -5.510  -9.460
   75    HG3  PRO   9           HG1      PRO   9   6.794  -5.399 -11.090
   76    HD2  PRO   9           HD2      PRO   9   6.998  -3.294  -8.970
   77    HD3  PRO   9           HD1      PRO   9   7.266  -3.159 -10.721
   78    H    SER  10           HN       SER  10   1.874  -4.089  -9.859
   79    HA   SER  10           HA       SER  10   0.272  -3.495  -8.354
   80    HB2  SER  10           HB2      SER  10   0.240  -4.841  -6.276
   81    HB3  SER  10           HB1      SER  10   0.577  -5.828  -7.699
   82    HG   SER  10           HG       SER  10   2.629  -4.756  -6.072
   83    H    SER  11           HN       SER  11   1.772  -1.406  -8.532
   84    HA   SER  11           HA       SER  11   2.209  -0.536  -5.761
   85    HB2  SER  11           HB2      SER  11   3.908   0.418  -8.065
   86    HB3  SER  11           HB1      SER  11   4.186   0.655  -6.340
   87    HG   SER  11           HG       SER  11   4.855  -1.449  -7.935
   88    H    PHE  12           HN       PHE  12   1.986   1.756  -5.403
   89    HA   PHE  12           HA       PHE  12   0.422   3.164  -7.455
   90    HB2  PHE  12           HB2      PHE  12  -1.251   2.359  -5.974
   91    HB3  PHE  12           HB1      PHE  12  -0.289   2.747  -4.554
   92    HD1  PHE  12           HD1      PHE  12  -1.778   4.484  -7.506
   93    HD2  PHE  12           HD2      PHE  12  -0.898   4.589  -3.343
   94    HE1  PHE  12           HE1      PHE  12  -2.933   6.649  -7.320
   95    HE2  PHE  12           HE2      PHE  12  -2.051   6.753  -3.150
   96    HZ   PHE  12           HZ       PHE  12  -3.072   7.786  -5.138
   97    H    SER  13           HN       SER  13   1.183   5.152  -7.848
   98    HA   SER  13           HA       SER  13   3.382   6.191  -6.356
   99    HB2  SER  13           HB2      SER  13   3.026   6.527  -8.826
  100    HB3  SER  13           HB1      SER  13   1.729   7.651  -8.423
  101    HG   SER  13           HG       SER  13   4.444   7.890  -7.627
  102    H    CYS  14           HN       CYS  14   3.247   7.230  -4.489
  103    HA   CYS  14           HA       CYS  14   0.877   8.044  -3.279
  104    HB2  CYS  14           HB2      CYS  14   3.754   8.367  -2.738
  105    HB3  CYS  14           HB1      CYS  14   2.725   9.592  -2.008
  106    HA   PRO  15           HA       PRO  15   0.022  11.644  -5.858
  107    HB2  PRO  15           HB2      PRO  15  -2.025  11.992  -3.733
  108    HB3  PRO  15           HB1      PRO  15  -2.214  11.996  -5.487
  109    HG2  PRO  15           HG2      PRO  15  -2.997   9.905  -4.039
  110    HG3  PRO  15           HG1      PRO  15  -2.238   9.685  -5.626
  111    HD2  PRO  15           HD2      PRO  15  -1.078   9.303  -2.902
  112    HD3  PRO  15           HD1      PRO  15  -0.799   8.375  -4.386
  113    H    GLY  16           HN       GLY  16   0.698  13.707  -5.730
  114    HA2  GLY  16           HA2      GLY  16   1.162  15.773  -4.742
  115    HA3  GLY  16           HA1      GLY  16   0.847  15.065  -3.166
  116    H    THR  17           HN       THR  17   2.635  12.880  -3.330
  117    HA   THR  17           HA       THR  17   5.163  14.325  -3.036
  118    HB   THR  17           HB       THR  17   5.833  12.115  -1.889
  119    HG1  THR  17           HG1      THR  17   4.003  10.977  -1.076
  120   HG21  THR  17          HG21      THR  17   4.259  12.707   0.132
  121   HG22  THR  17          HG22      THR  17   3.960  14.153  -0.832
  122   HG23  THR  17          HG23      THR  17   5.603  13.751  -0.332
  123    H    HIS  18           HN       HIS  18   7.152  13.077  -3.573
  124    HA   HIS  18           HA       HIS  18   6.896  11.957  -6.261
  125    HB2  HIS  18           HB2      HIS  18   9.378  12.229  -6.311
  126    HB3  HIS  18           HB1      HIS  18   8.525  13.739  -5.998
  127    HD1  HIS  18           HD1      HIS  18  10.913  11.335  -4.440
  128    HD2  HIS  18           HD2      HIS  18   8.779  14.738  -3.382
  129    HE1  HIS  18           HE1      HIS  18  11.883  12.127  -2.244
  130    H    VAL  19           HN       VAL  19   6.161  10.488  -3.810
  131    HA   VAL  19           HA       VAL  19   8.131   8.309  -3.879
  132    HB   VAL  19           HB       VAL  19   7.892   9.237  -1.668
  133   HG11  VAL  19          HG11      VAL  19   5.208   9.616  -2.411
  134   HG12  VAL  19          HG12      VAL  19   5.998  10.098  -0.912
  135   HG13  VAL  19          HG13      VAL  19   5.197   8.531  -1.021
  136   HG21  VAL  19          HG21      VAL  19   6.369   6.636  -1.769
  137   HG22  VAL  19          HG22      VAL  19   7.314   7.264  -0.419
  138   HG23  VAL  19          HG23      VAL  19   8.123   6.775  -1.908
  139    H    CYS  20           HN       CYS  20   7.295   6.120  -3.731
  140    HA   CYS  20           HA       CYS  20   4.599   5.830  -4.882
  141    HB2  CYS  20           HB2      CYS  20   5.474   3.866  -6.141
  142    HB3  CYS  20           HB1      CYS  20   6.206   5.390  -6.632
  143    H    VAL  21           HN       VAL  21   3.271   4.578  -3.754
  144    HA   VAL  21           HA       VAL  21   4.431   2.811  -1.707
  145    HB   VAL  21           HB       VAL  21   3.010   4.699  -0.902
  146   HG11  VAL  21          HG11      VAL  21   1.343   4.052  -2.958
  147   HG12  VAL  21          HG12      VAL  21   0.910   5.066  -1.583
  148   HG13  VAL  21          HG13      VAL  21   0.504   3.350  -1.576
  149   HG21  VAL  21          HG21      VAL  21   3.105   2.069  -0.047
  150   HG22  VAL  21          HG22      VAL  21   1.388   2.475  -0.011
  151   HG23  VAL  21          HG23      VAL  21   2.546   3.459   0.883
  152    HA   PRO  22           HA       PRO  22   3.068  -0.650  -4.162
  153    HB2  PRO  22           HB2      PRO  22   2.992  -1.976  -1.503
  154    HB3  PRO  22           HB1      PRO  22   3.790  -2.480  -2.998
  155    HG2  PRO  22           HG2      PRO  22   5.212  -1.466  -1.001
  156    HG3  PRO  22           HG1      PRO  22   5.584  -1.045  -2.682
  157    HD2  PRO  22           HD2      PRO  22   4.166   0.553  -0.596
  158    HD3  PRO  22           HD1      PRO  22   5.323   1.087  -1.832
  159    H    GLU  23           HN       GLU  23   1.250  -2.034  -4.407
  160    HA   GLU  23           HA       GLU  23  -1.217  -0.856  -3.758
  161    HB2  GLU  23           HB2      GLU  23  -0.412  -2.707  -5.565
  162    HB3  GLU  23           HB1      GLU  23  -1.226  -3.741  -4.401
  163    HG2  GLU  23           HG2      GLU  23  -3.243  -2.365  -4.610
  164    HG3  GLU  23           HG1      GLU  23  -2.419  -1.360  -5.802
  165    H    ARG  24           HN       ARG  24   0.706  -3.283  -2.143
  166    HA   ARG  24           HA       ARG  24  -1.371  -4.250  -0.448
  167    HB2  ARG  24           HB2      ARG  24   1.127  -5.128  -1.007
  168    HB3  ARG  24           HB1      ARG  24   1.414  -4.356   0.544
  169    HG2  ARG  24           HG2      ARG  24  -0.791  -6.342   0.136
  170    HG3  ARG  24           HG1      ARG  24   0.847  -6.813   0.573
  171    HD2  ARG  24           HD2      ARG  24  -0.076  -4.674   2.256
  172    HD3  ARG  24           HD1      ARG  24  -1.200  -6.027   2.288
  173    HE   ARG  24           HE       ARG  24   1.578  -6.730   2.639
  174   HH11  ARG  24          HH11      ARG  24  -1.428  -5.882   4.204
  175   HH12  ARG  24          HH12      ARG  24  -0.995  -6.618   5.709
  176   HH21  ARG  24          HH21      ARG  24   2.146  -7.698   4.622
  177   HH22  ARG  24          HH22      ARG  24   1.032  -7.648   5.948
  178    H    TRP  25           HN       TRP  25   0.842  -1.578  -0.364
  179    HA   TRP  25           HA       TRP  25   0.349  -0.964   2.409
  180    HB2  TRP  25           HB2      TRP  25   1.782   0.561   0.234
  181    HB3  TRP  25           HB1      TRP  25   1.734   1.047   1.926
  182    HD1  TRP  25           HD1      TRP  25   2.105  -2.659   1.427
  183    HE1  TRP  25           HE1      TRP  25   4.526  -3.366   1.929
  184    HE3  TRP  25           HE3      TRP  25   4.267   1.969   1.709
  185    HZ2  TRP  25           HZ2      TRP  25   7.019  -2.133   2.382
  186    HZ3  TRP  25           HZ3      TRP  25   6.678   2.112   2.182
  187    HH2  TRP  25           HH2      TRP  25   8.023   0.104   2.515
  188    H    LEU  26           HN       LEU  26  -1.663  -0.783  -0.092
  189    HA   LEU  26           HA       LEU  26  -2.596   1.923   0.122
  190    HB2  LEU  26           HB2      LEU  26  -3.324  -0.497  -1.400
  191    HB3  LEU  26           HB1      LEU  26  -4.642   0.597  -1.055
  192    HG   LEU  26           HG       LEU  26  -3.701   2.330  -2.323
  193   HD11  LEU  26          HD11      LEU  26  -1.188   1.053  -1.643
  194   HD12  LEU  26          HD12      LEU  26  -1.529   2.729  -2.073
  195   HD13  LEU  26          HD13      LEU  26  -1.265   1.530  -3.339
  196   HD21  LEU  26          HD21      LEU  26  -4.513   1.086  -4.012
  197   HD22  LEU  26          HD22      LEU  26  -3.638  -0.360  -3.508
  198   HD23  LEU  26          HD23      LEU  26  -2.809   0.898  -4.425
  199    H    CYS  27           HN       CYS  27  -4.119  -1.207   0.864
  200    HA   CYS  27           HA       CYS  27  -5.699   0.145   2.954
  201    HB2  CYS  27           HB2      CYS  27  -6.399  -2.528   1.767
  202    HB3  CYS  27           HB1      CYS  27  -7.449  -1.376   2.584
  203    H    ASP  28           HN       ASP  28  -3.064  -0.652   3.532
  204    HA   ASP  28           HA       ASP  28  -3.107  -3.220   4.827
  205    HB2  ASP  28           HB2      ASP  28  -0.846  -2.725   5.509
  206    HB3  ASP  28           HB1      ASP  28  -1.043  -2.243   3.829
  207    H    GLY  29           HN       GLY  29  -3.917   0.009   5.706
  208    HA2  GLY  29           HA2      GLY  29  -5.283   0.330   7.677
  209    HA3  GLY  29           HA1      GLY  29  -4.322  -0.901   8.480
  210    H    ASP  30           HN       ASP  30  -3.090   1.764   6.533
  211    HA   ASP  30           HA       ASP  30  -2.499   3.524   8.649
  212    HB2  ASP  30           HB2      ASP  30  -0.616   1.330   8.246
  213    HB3  ASP  30           HB1      ASP  30   0.151   2.908   8.105
  214    H    LYS  31           HN       LYS  31  -2.613   5.378   7.575
  215    HA   LYS  31           HA       LYS  31  -2.357   5.712   4.836
  216    HB2  LYS  31           HB2      LYS  31  -1.986   7.737   7.044
  217    HB3  LYS  31           HB1      LYS  31  -2.137   8.148   5.343
  218    HG2  LYS  31           HG2      LYS  31  -4.361   7.139   5.296
  219    HG3  LYS  31           HG1      LYS  31  -4.212   6.743   7.009
  220    HD2  LYS  31           HD2      LYS  31  -4.633   8.858   7.662
  221    HD3  LYS  31           HD1      LYS  31  -3.702   9.558   6.336
  222    HE2  LYS  31           HE2      LYS  31  -5.516   9.821   5.055
  223    HE3  LYS  31           HE1      LYS  31  -6.142   8.223   5.460
  224    HZ1  LYS  31           HZ1      LYS  31  -6.278  10.345   7.482
  225    HZ2  LYS  31           HZ2      LYS  31  -7.311   9.029   7.232
  226    HZ3  LYS  31           HZ3      LYS  31  -7.390  10.371   6.206
  227    H    ASP  32           HN       ASP  32  -0.524   4.784   4.004
  228    HA   ASP  32           HA       ASP  32   2.097   5.304   4.954
  229    HB2  ASP  32           HB2      ASP  32   1.191   4.308   2.245
  230    HB3  ASP  32           HB1      ASP  32   2.834   4.235   2.867
  231    H    CYS  33           HN       CYS  33   0.122   6.671   2.363
  232    HA   CYS  33           HA       CYS  33   2.142   8.355   1.307
  233    HB2  CYS  33           HB2      CYS  33  -0.859   8.326   1.100
  234    HB3  CYS  33           HB1      CYS  33   0.083   9.622   0.378
  235    H    ALA  34           HN       ALA  34   1.286  10.865   1.170
  236    HA   ALA  34           HA       ALA  34   1.941  11.917   3.730
  237    HB1  ALA  34           HB1      ALA  34   1.377  13.014   1.043
  238    HB2  ALA  34           HB2      ALA  34   2.731  13.315   2.132
  239    HB3  ALA  34           HB3      ALA  34   1.179  14.103   2.415
  240    H    ASP  35           HN       ASP  35  -1.057  11.656   1.878
  241    HA   ASP  35           HA       ASP  35  -2.512  12.564   4.275
  242    HB2  ASP  35           HB2      ASP  35  -3.001  13.209   1.378
  243    HB3  ASP  35           HB1      ASP  35  -4.295  13.317   2.567
  244    H    GLY  36           HN       GLY  36  -1.786   9.842   3.499
  245    HA2  GLY  36           HA2      GLY  36  -2.787   7.773   3.562
  246    HA3  GLY  36           HA1      GLY  36  -4.279   8.596   3.979
  247    H    ALA  37           HN       ALA  37  -2.655   9.453   1.042
  248    HA   ALA  37           HA       ALA  37  -4.854   9.007  -0.596
  249    HB1  ALA  37           HB1      ALA  37  -2.920   8.843  -2.404
  250    HB2  ALA  37           HB2      ALA  37  -1.959   9.448  -1.055
  251    HB3  ALA  37           HB3      ALA  37  -3.352  10.367  -1.628
  252    H    ASP  38           HN       ASP  38  -2.230   6.874   0.337
  253    HA   ASP  38           HA       ASP  38  -2.658   4.804  -1.506
  254    HB2  ASP  38           HB2      ASP  38  -1.525   3.362   0.192
  255    HB3  ASP  38           HB1      ASP  38  -0.652   4.847  -0.153
  256    H    GLU  39           HN       GLU  39  -4.080   5.482   1.652
  257    HA   GLU  39           HA       GLU  39  -5.741   3.125   1.605
  258    HB2  GLU  39           HB2      GLU  39  -6.251   5.452   3.417
  259    HB3  GLU  39           HB1      GLU  39  -6.465   3.737   3.730
  260    HG2  GLU  39           HG2      GLU  39  -3.798   3.826   3.379
  261    HG3  GLU  39           HG1      GLU  39  -4.089   5.438   4.031
  262    H    SER  40           HN       SER  40  -5.883   6.288   0.348
  263    HA   SER  40           HA       SER  40  -8.742   6.508   0.293
  264    HB2  SER  40           HB2      SER  40  -6.942   8.088  -1.505
  265    HB3  SER  40           HB1      SER  40  -8.435   8.583  -0.716
  266    HG   SER  40           HG       SER  40  -7.068   9.473   0.631
  267    H    ILE  41           HN       ILE  41 -10.081   6.387  -1.519
  268    HA   ILE  41           HA       ILE  41  -9.770   4.196  -3.162
  269    HB   ILE  41           HB       ILE  41 -11.881   5.498  -2.686
  270   HG12  ILE  41          HG12      ILE  41 -12.610   5.137  -5.241
  271   HG13  ILE  41          HG11      ILE  41 -11.073   4.283  -5.264
  272   HG21  ILE  41          HG21      ILE  41 -11.120   7.109  -5.102
  273   HG22  ILE  41          HG22      ILE  41 -10.865   7.684  -3.453
  274   HG23  ILE  41          HG23      ILE  41 -12.497   7.335  -4.024
  275   HD11  ILE  41          HD11      ILE  41 -13.406   3.140  -4.613
  276   HD12  ILE  41          HD12      ILE  41 -12.858   3.650  -3.015
  277   HD13  ILE  41          HD13      ILE  41 -11.845   2.593  -4.000
  278    H    ALA  42           HN       ALA  42  -8.516   7.405  -3.554
  279    HA   ALA  42           HA       ALA  42  -8.105   7.593  -6.277
  280    HB1  ALA  42           HB1      ALA  42  -6.167   8.472  -4.142
  281    HB2  ALA  42           HB2      ALA  42  -7.606   9.368  -4.628
  282    HB3  ALA  42           HB3      ALA  42  -6.297   9.110  -5.781
  283    H    ALA  43           HN       ALA  43  -6.540   5.554  -3.953
  284    HA   ALA  43           HA       ALA  43  -4.419   4.798  -5.804
  285    HB1  ALA  43           HB1      ALA  43  -4.056   5.181  -3.322
  286    HB2  ALA  43           HB2      ALA  43  -3.405   3.683  -3.990
  287    HB3  ALA  43           HB3      ALA  43  -4.908   3.658  -3.068
  288    H    GLY  44           HN       GLY  44  -7.509   3.721  -4.738
  289    HA2  GLY  44           HA2      GLY  44  -8.679   2.080  -6.066
  290    HA3  GLY  44           HA1      GLY  44  -7.146   1.246  -6.297
  291    H    CYS  45           HN       CYS  45  -8.260   2.547  -3.246
  292    HA   CYS  45           HA       CYS  45  -7.911   0.005  -1.968
  293    HB2  CYS  45           HB2      CYS  45  -7.423   2.332  -0.991
  294    HB3  CYS  45           HB1      CYS  45  -9.156   2.445  -0.714
  295    H    LEU  46           HN       LEU  46 -10.402   1.223  -3.760
  296    HA   LEU  46           HA       LEU  46 -12.535   0.536  -4.118
  297    HB2  LEU  46           HB2      LEU  46 -12.122  -1.519  -1.957
  298    HB3  LEU  46           HB1      LEU  46 -13.297  -1.556  -3.255
  299    HG   LEU  46           HG       LEU  46 -11.801  -3.024  -4.121
  300   HD11  LEU  46          HD11      LEU  46 -10.555  -2.069  -5.847
  301   HD12  LEU  46          HD12      LEU  46 -10.219  -0.607  -4.921
  302   HD13  LEU  46          HD13      LEU  46 -11.842  -0.901  -5.546
  303   HD21  LEU  46          HD21      LEU  46  -9.761  -3.445  -3.280
  304   HD22  LEU  46          HD22      LEU  46 -10.278  -2.352  -1.996
  305   HD23  LEU  46          HD23      LEU  46  -9.277  -1.750  -3.318
  306    H    TYR  47           HN       TYR  47 -11.589   2.243  -1.651
  307    HA   TYR  47           HA       TYR  47 -14.145   3.078  -0.863
  308    HB2  TYR  47           HB2      TYR  47 -14.299   2.261   1.405
  309    HB3  TYR  47           HB1      TYR  47 -14.134   0.883   0.321
  310    HD1  TYR  47           HD1      TYR  47 -12.432   2.935   2.851
  311    HD2  TYR  47           HD2      TYR  47 -12.191  -0.526   0.392
  312    HE1  TYR  47           HE1      TYR  47 -10.499   2.155   4.151
  313    HE2  TYR  47           HE2      TYR  47 -10.255  -1.317   1.682
  314    HH   TYR  47           HH       TYR  47  -9.253  -1.019   3.868
  315    H    ASN  48           HN       ASN  48 -13.895   4.279   1.433
  316    HA   ASN  48           HA       ASN  48 -11.446   5.331   2.228
  317    HB2  ASN  48           HB2      ASN  48 -11.800   6.261  -0.232
  318    HB3  ASN  48           HB1      ASN  48 -12.813   7.428   0.601
  319   HD21  ASN  48          HD21      ASN  48 -11.179   8.903  -0.295
  320   HD22  ASN  48          HD22      ASN  48  -9.753   9.197   0.635
  321    H    SER  49           HN       SER  49 -12.149   7.944   2.929
  322    HA   SER  49           HA       SER  49 -13.300   9.138   4.478
  323    HB2  SER  49           HB2      SER  49 -15.548   7.396   3.461
  324    HB3  SER  49           HB1      SER  49 -15.791   8.652   4.674
  325    HG   SER  49           HG       SER  49 -16.191   9.465   2.600
  326    H    THR  50           HN       THR  50 -15.077   6.105   4.947
  327    HA   THR  50           HA       THR  50 -14.404   6.156   7.764
  328    HB   THR  50           HB       THR  50 -15.835   3.892   7.510
  329    HG1  THR  50           HG1      THR  50 -17.398   4.268   5.870
  330   HG21  THR  50          HG21      THR  50 -17.116   6.609   7.391
  331   HG22  THR  50          HG22      THR  50 -16.478   5.857   8.852
  332   HG23  THR  50          HG23      THR  50 -17.834   5.119   8.001
  333    H    GLY  51           HN       GLY  51 -13.604   4.239   8.884
  334    HA2  GLY  51           HA2      GLY  51 -12.018   2.423   7.206
  335    HA3  GLY  51           HA1      GLY  51 -11.199   3.353   8.451
  336    H    SER  52           HN       SER  52 -13.853   1.045   7.969
  337    HA   SER  52           HA       SER  52 -13.434   0.092  10.719
  338    HB2  SER  52           HB2      SER  52 -15.658  -0.690  10.735
  339    HB3  SER  52           HB1      SER  52 -15.751   0.866   9.912
  340    HG   SER  52           HG       SER  52 -16.844  -0.450   8.590
  341    H    GLY  53           HN       GLY  53 -11.515  -0.677   8.927
  342    HA2  GLY  53           HA2      GLY  53 -10.397  -2.709   8.618
  343    HA3  GLY  53           HA1      GLY  53 -11.905  -3.559   8.920
  344    H    SER  54           HN       SER  54 -12.169  -4.829   7.186
  345    HA   SER  54           HA       SER  54 -11.903  -3.599   4.525
  346    HB2  SER  54           HB2      SER  54 -10.404  -5.404   4.572
  347    HB3  SER  54           HB1      SER  54 -11.515  -6.423   5.487
  348    HG   SER  54           HG       SER  54 -12.577  -6.912   3.694
  349    H    GLY  55           HN       GLY  55 -13.833  -2.919   3.849
  350    HA2  GLY  55           HA2      GLY  55 -16.168  -4.657   4.343
  351    HA3  GLY  55           HA1      GLY  55 -16.253  -2.915   4.133
  352    H    SER  56           HN       SER  56 -14.234  -3.167   1.883
  353    HA   SER  56           HA       SER  56 -15.993  -3.096  -0.259
  354    HB2  SER  56           HB2      SER  56 -13.929  -2.127  -0.712
  355    HB3  SER  56           HB1      SER  56 -13.029  -3.484  -0.038
  356    HG   SER  56           HG       SER  56 -14.481  -3.464  -2.478
  357    H    GLY  57           HN       GLY  57 -13.824  -5.781   0.669
  358    HA2  GLY  57           HA2      GLY  57 -15.151  -7.975   0.665
  359    HA3  GLY  57           HA1      GLY  57 -15.469  -7.557  -1.011
  360    H    SER 129           HN       SER 129 -14.488  -9.532  -1.639
  361    HA   SER 129           HA       SER 129 -11.964 -10.440  -0.987
  362    HB2  SER 129           HB2      SER 129 -13.120 -10.638  -3.770
  363    HB3  SER 129           HB1      SER 129 -12.052 -11.780  -2.956
  364    HG   SER 129           HG       SER 129 -14.780 -11.491  -2.791
  365    H    THR 130           HN       THR 130 -12.890  -8.004  -3.365
  366    HA   THR 130           HA       THR 130 -10.460  -7.699  -4.681
  367    HB   THR 130           HB       THR 130 -12.125  -5.296  -4.044
  368    HG1  THR 130           HG1      THR 130 -13.839  -6.194  -4.810
  369   HG21  THR 130          HG21      THR 130 -10.603  -4.648  -5.597
  370   HG22  THR 130          HG22      THR 130 -11.883  -5.231  -6.661
  371   HG23  THR 130          HG23      THR 130 -10.487  -6.254  -6.319
  372    H    GLU 131           HN       GLU 131 -11.552  -6.413  -1.596
  373    HA   GLU 131           HA       GLU 131  -9.495  -4.564  -1.149
  374    HB2  GLU 131           HB2      GLU 131 -11.477  -4.599   0.250
  375    HB3  GLU 131           HB1      GLU 131 -11.092  -6.216   0.818
  376    HG2  GLU 131           HG2      GLU 131  -9.617  -5.475   2.332
  377    HG3  GLU 131           HG1      GLU 131  -8.991  -4.219   1.264
  378    H    GLU 132           HN       GLU 132  -9.717  -8.021  -0.471
  379    HA   GLU 132           HA       GLU 132  -7.101  -8.112   0.739
  380    HB2  GLU 132           HB2      GLU 132  -8.549 -10.557  -0.205
  381    HB3  GLU 132           HB1      GLU 132  -7.533 -10.345   1.213
  382    HG2  GLU 132           HG2      GLU 132  -9.381  -8.827   2.099
  383    HG3  GLU 132           HG1      GLU 132 -10.380  -9.498   0.810
  384    H    LEU 133           HN       LEU 133  -8.555  -8.943  -2.357
  385    HA   LEU 133           HA       LEU 133  -6.583 -10.380  -3.582
  386    HB2  LEU 133           HB2      LEU 133  -8.720  -8.593  -4.454
  387    HB3  LEU 133           HB1      LEU 133  -7.393  -8.681  -5.594
  388    HG   LEU 133           HG       LEU 133  -7.713 -10.976  -5.977
  389   HD11  LEU 133          HD11      LEU 133  -9.359 -10.966  -3.460
  390   HD12  LEU 133          HD12      LEU 133  -7.881 -11.868  -3.795
  391   HD13  LEU 133          HD13      LEU 133  -9.382 -12.298  -4.615
  392   HD21  LEU 133          HD21      LEU 133  -9.814  -9.167  -6.325
  393   HD22  LEU 133          HD22      LEU 133 -10.563 -10.647  -5.724
  394   HD23  LEU 133          HD23      LEU 133  -9.562 -10.693  -7.175
  395    H    ARG 134           HN       ARG 134  -6.561  -6.951  -2.873
  396    HA   ARG 134           HA       ARG 134  -4.092  -6.578  -4.386
  397    HB2  ARG 134           HB2      ARG 134  -4.378  -4.207  -3.943
  398    HB3  ARG 134           HB1      ARG 134  -5.865  -4.887  -4.587
  399    HG2  ARG 134           HG2      ARG 134  -6.549  -5.118  -2.102
  400    HG3  ARG 134           HG1      ARG 134  -5.264  -3.943  -1.818
  401    HD2  ARG 134           HD2      ARG 134  -7.796  -3.629  -3.397
  402    HD3  ARG 134           HD1      ARG 134  -7.195  -2.647  -2.065
  403    HE   ARG 134           HE       ARG 134  -5.764  -1.540  -3.540
  404   HH11  ARG 134          HH11      ARG 134  -7.574  -4.040  -5.183
  405   HH12  ARG 134          HH12      ARG 134  -7.210  -3.433  -6.762
  406   HH21  ARG 134          HH21      ARG 134  -5.291  -0.748  -5.617
  407   HH22  ARG 134          HH22      ARG 134  -5.915  -1.568  -7.009
  408    H    VAL 135           HN       VAL 135  -5.283  -6.279  -1.057
  409    HA   VAL 135           HA       VAL 135  -2.705  -5.600  -0.006
  410    HB   VAL 135           HB       VAL 135  -5.174  -6.505   1.480
  411   HG11  VAL 135          HG11      VAL 135  -4.201  -5.402   3.404
  412   HG12  VAL 135          HG12      VAL 135  -2.795  -4.929   2.453
  413   HG13  VAL 135          HG13      VAL 135  -3.095  -6.632   2.797
  414   HG21  VAL 135          HG21      VAL 135  -6.087  -4.574   0.863
  415   HG22  VAL 135          HG22      VAL 135  -4.605  -4.077   0.046
  416   HG23  VAL 135          HG23      VAL 135  -4.819  -3.744   1.764
  417    H    ARG 136           HN       ARG 136  -4.091  -8.514  -0.976
  418    HA   ARG 136           HA       ARG 136  -2.642 -10.143   0.959
  419    HB2  ARG 136           HB2      ARG 136  -4.923 -10.793   0.414
  420    HB3  ARG 136           HB1      ARG 136  -4.514 -10.889  -1.292
  421    HG2  ARG 136           HG2      ARG 136  -2.722 -12.617  -0.333
  422    HG3  ARG 136           HG1      ARG 136  -3.972 -12.783   0.902
  423    HD2  ARG 136           HD2      ARG 136  -4.939 -14.231  -0.500
  424    HD3  ARG 136           HD1      ARG 136  -5.422 -12.812  -1.430
  425    HE   ARG 136           HE       ARG 136  -2.808 -13.808  -2.100
  426   HH11  ARG 136          HH11      ARG 136  -6.229 -14.089  -2.731
  427   HH12  ARG 136          HH12      ARG 136  -6.009 -14.747  -4.317
  428   HH21  ARG 136          HH21      ARG 136  -2.517 -14.674  -4.186
  429   HH22  ARG 136          HH22      ARG 136  -3.902 -15.080  -5.143
  430    H    LEU 137           HN       LEU 137  -3.018 -10.362  -2.585
  431    HA   LEU 137           HA       LEU 137  -0.722 -11.853  -3.044
  432    HB2  LEU 137           HB2      LEU 137  -2.280 -11.736  -4.795
  433    HB3  LEU 137           HB1      LEU 137  -2.312  -9.985  -4.772
  434    HG   LEU 137           HG       LEU 137  -1.135 -11.187  -6.732
  435   HD11  LEU 137          HD11      LEU 137  -0.951  -8.699  -5.728
  436   HD12  LEU 137          HD12      LEU 137  -0.093  -9.242  -7.170
  437   HD13  LEU 137          HD13      LEU 137   0.734  -9.207  -5.613
  438   HD21  LEU 137          HD21      LEU 137   0.748 -12.331  -6.392
  439   HD22  LEU 137          HD22      LEU 137   0.325 -12.328  -4.681
  440   HD23  LEU 137          HD23      LEU 137   1.405 -11.090  -5.324
  441    H    ALA 138           HN       ALA 138  -1.139  -8.345  -2.953
  442    HA   ALA 138           HA       ALA 138   1.482  -7.703  -3.792
  443    HB1  ALA 138           HB1      ALA 138   0.992  -5.468  -3.139
  444    HB2  ALA 138           HB2      ALA 138  -0.321  -6.003  -2.090
  445    HB3  ALA 138           HB3      ALA 138  -0.469  -6.162  -3.840
  446    H    SER 139           HN       SER 139   0.452  -9.126  -0.929
  447    HA   SER 139           HA       SER 139   2.412  -7.877   0.788
  448    HB2  SER 139           HB2      SER 139   1.044  -8.628   2.389
  449    HB3  SER 139           HB1      SER 139   0.049  -9.407   1.161
  450    HG   SER 139           HG       SER 139   1.073 -11.290   1.501
  451    H    HIS 140           HN       HIS 140   2.607 -10.110  -1.625
  452    HA   HIS 140           HA       HIS 140   4.184 -12.159  -0.600
  453    HB2  HIS 140           HB2      HIS 140   4.975 -12.448  -2.957
  454    HB3  HIS 140           HB1      HIS 140   3.227 -12.394  -2.775
  455    HD1  HIS 140           HD1      HIS 140   4.484 -11.791  -5.510
  456    HD2  HIS 140           HD2      HIS 140   3.585  -8.885  -2.685
  457    HE1  HIS 140           HE1      HIS 140   4.219  -9.617  -6.777
  458    H    LEU 141           HN       LEU 141   5.120  -8.905  -1.601
  459    HA   LEU 141           HA       LEU 141   7.792  -9.458  -0.531
  460    HB2  LEU 141           HB2      LEU 141   8.034  -9.715  -2.910
  461    HB3  LEU 141           HB1      LEU 141   7.209  -8.195  -3.202
  462    HG   LEU 141           HG       LEU 141   9.362  -7.512  -1.562
  463   HD11  LEU 141          HD11      LEU 141  10.372  -9.290  -3.765
  464   HD12  LEU 141          HD12      LEU 141  10.229  -9.815  -2.087
  465   HD13  LEU 141          HD13      LEU 141  11.301  -8.478  -2.505
  466   HD21  LEU 141          HD21      LEU 141   8.638  -6.057  -3.260
  467   HD22  LEU 141          HD22      LEU 141   8.846  -7.283  -4.513
  468   HD23  LEU 141          HD23      LEU 141  10.259  -6.560  -3.743
  469    H    ARG 142           HN       ARG 142   5.654  -6.915  -1.792
  470    HA   ARG 142           HA       ARG 142   6.824  -4.641  -0.984
  471    HB2  ARG 142           HB2      ARG 142   3.902  -5.131  -0.432
  472    HB3  ARG 142           HB1      ARG 142   4.680  -3.605  -0.826
  473    HG2  ARG 142           HG2      ARG 142   4.195  -5.946  -2.647
  474    HG3  ARG 142           HG1      ARG 142   3.513  -4.329  -2.757
  475    HD2  ARG 142           HD2      ARG 142   5.189  -3.747  -4.087
  476    HD3  ARG 142           HD1      ARG 142   6.316  -4.031  -2.764
  477    HE   ARG 142           HE       ARG 142   6.324  -6.417  -3.587
  478   HH11  ARG 142          HH11      ARG 142   5.724  -3.725  -5.741
  479   HH12  ARG 142          HH12      ARG 142   6.303  -4.563  -7.138
  480   HH21  ARG 142          HH21      ARG 142   7.082  -7.506  -5.429
  481   HH22  ARG 142          HH22      ARG 142   7.072  -6.704  -6.964
  482    H    LYS 143           HN       LYS 143   4.813  -6.620   1.216
  483    HA   LYS 143           HA       LYS 143   5.783  -5.001   3.452
  484    HB2  LYS 143           HB2      LYS 143   3.483  -6.871   3.078
  485    HB3  LYS 143           HB1      LYS 143   4.077  -6.550   4.701
  486    HG2  LYS 143           HG2      LYS 143   3.125  -4.479   2.741
  487    HG3  LYS 143           HG1      LYS 143   2.214  -5.093   4.120
  488    HD2  LYS 143           HD2      LYS 143   4.465  -4.338   5.370
  489    HD3  LYS 143           HD1      LYS 143   4.475  -3.191   4.029
  490    HE2  LYS 143           HE2      LYS 143   2.667  -2.074   4.797
  491    HE3  LYS 143           HE1      LYS 143   1.888  -3.538   5.396
  492    HZ1  LYS 143           HZ1      LYS 143   2.411  -2.594   7.364
  493    HZ2  LYS 143           HZ2      LYS 143   3.725  -1.725   6.748
  494    HZ3  LYS 143           HZ3      LYS 143   3.892  -3.370   7.103
  495    H    LEU 144           HN       LEU 144   6.864  -7.666   1.889
  496    HA   LEU 144           HA       LEU 144   7.676  -9.041   4.342
  497    HB2  LEU 144           HB2      LEU 144   7.018  -9.905   1.656
  498    HB3  LEU 144           HB1      LEU 144   8.570 -10.540   2.170
  499    HG   LEU 144           HG       LEU 144   7.296 -11.251   4.321
  500   HD11  LEU 144          HD11      LEU 144   4.925 -11.522   2.580
  501   HD12  LEU 144          HD12      LEU 144   5.240  -9.922   3.252
  502   HD13  LEU 144          HD13      LEU 144   5.037 -11.305   4.327
  503   HD21  LEU 144          HD21      LEU 144   7.296 -13.345   3.481
  504   HD22  LEU 144          HD22      LEU 144   8.106 -12.568   2.121
  505   HD23  LEU 144          HD23      LEU 144   6.373 -12.888   2.050
  506    H    ARG 145           HN       ARG 145   9.049  -7.792   1.300
  507    HA   ARG 145           HA       ARG 145  11.737  -8.211   2.261
  508    HB2  ARG 145           HB2      ARG 145  10.769  -8.293  -0.202
  509    HB3  ARG 145           HB1      ARG 145  11.206  -6.593  -0.180
  510    HG2  ARG 145           HG2      ARG 145  13.191  -8.628   0.707
  511    HG3  ARG 145           HG1      ARG 145  12.900  -8.376  -1.013
  512    HD2  ARG 145           HD2      ARG 145  13.185  -5.853   0.334
  513    HD3  ARG 145           HD1      ARG 145  14.569  -6.890   0.678
  514    HE   ARG 145           HE       ARG 145  14.053  -6.987  -2.070
  515   HH11  ARG 145          HH11      ARG 145  15.166  -4.720   0.339
  516   HH12  ARG 145          HH12      ARG 145  16.128  -3.813  -0.780
  517   HH21  ARG 145          HH21      ARG 145  15.317  -5.795  -3.542
  518   HH22  ARG 145          HH22      ARG 145  16.213  -4.422  -2.983
  519    H    LYS 146           HN       LYS 146  10.791  -5.213   0.641
  520    HA   LYS 146           HA       LYS 146  11.409  -3.061   1.100
  521    HB2  LYS 146           HB2      LYS 146   9.405  -3.813   2.755
  522    HB3  LYS 146           HB1      LYS 146  10.614  -3.318   3.936
  523    HG2  LYS 146           HG2      LYS 146  10.622  -1.300   2.019
  524    HG3  LYS 146           HG1      LYS 146   8.923  -1.706   2.247
  525    HD2  LYS 146           HD2      LYS 146   8.872  -0.840   4.320
  526    HD3  LYS 146           HD1      LYS 146  10.452  -1.508   4.738
  527    HE2  LYS 146           HE2      LYS 146  11.476   0.429   4.319
  528    HE3  LYS 146           HE1      LYS 146  10.665   0.601   2.763
  529    HZ1  LYS 146           HZ1      LYS 146   9.680   2.328   3.764
  530    HZ2  LYS 146           HZ2      LYS 146  10.008   1.768   5.326
  531    HZ3  LYS 146           HZ3      LYS 146   8.680   1.161   4.472
  532    H    ARG 147           HN       ARG 147  12.254  -1.781   3.418
  533    HA   ARG 147           HA       ARG 147  15.002  -2.675   3.522
  534    HB2  ARG 147           HB2      ARG 147  13.746  -0.199   3.650
  535    HB3  ARG 147           HB1      ARG 147  14.325  -0.462   5.289
  536    HG2  ARG 147           HG2      ARG 147  16.355  -1.160   3.371
  537    HG3  ARG 147           HG1      ARG 147  15.776   0.486   3.106
  538    HD2  ARG 147           HD2      ARG 147  16.638   1.241   5.051
  539    HD3  ARG 147           HD1      ARG 147  16.267  -0.251   5.914
  540    HE   ARG 147           HE       ARG 147  18.421  -0.884   5.563
  541   HH11  ARG 147          HH11      ARG 147  17.548   1.386   3.060
  542   HH12  ARG 147          HH12      ARG 147  19.124   1.391   2.341
  543   HH21  ARG 147          HH21      ARG 147  20.495  -0.877   4.621
  544   HH22  ARG 147          HH22      ARG 147  20.796   0.107   3.227
  545    H    LEU 148           HN       LEU 148  12.342  -3.646   5.123
  546    HA   LEU 148           HA       LEU 148  11.968  -4.809   7.032
  547    HB2  LEU 148           HB2      LEU 148  14.974  -4.823   7.015
  548    HB3  LEU 148           HB1      LEU 148  14.062  -5.562   8.315
  549    HG   LEU 148           HG       LEU 148  14.626  -7.313   6.837
  550   HD11  LEU 148          HD11      LEU 148  11.842  -6.641   5.949
  551   HD12  LEU 148          HD12      LEU 148  12.198  -7.110   7.612
  552   HD13  LEU 148          HD13      LEU 148  12.547  -8.222   6.288
  553   HD21  LEU 148          HD21      LEU 148  14.035  -7.213   4.411
  554   HD22  LEU 148          HD22      LEU 148  15.308  -6.095   4.903
  555   HD23  LEU 148          HD23      LEU 148  13.671  -5.502   4.629
  556    H    LEU 149           HN       LEU 149  14.849  -2.993   8.041
  557    HA   LEU 149           HA       LEU 149  13.325  -1.931  10.297
  558    HB2  LEU 149           HB2      LEU 149  16.274  -1.610   9.798
  559    HB3  LEU 149           HB1      LEU 149  15.413  -1.437  11.316
  560    HG   LEU 149           HG       LEU 149  15.370  -4.093   9.960
  561   HD11  LEU 149          HD11      LEU 149  17.762  -3.058  10.073
  562   HD12  LEU 149          HD12      LEU 149  17.487  -4.720  10.594
  563   HD13  LEU 149          HD13      LEU 149  17.629  -3.433  11.791
  564   HD21  LEU 149          HD21      LEU 149  14.063  -4.055  11.880
  565   HD22  LEU 149          HD22      LEU 149  15.202  -3.031  12.755
  566   HD23  LEU 149          HD23      LEU 149  15.592  -4.724  12.450
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1   3.383  13.724   5.317
    2    H2   GLY   1           HT2      GLY   1   3.657  15.104   4.377
    3    H3   GLY   1           HT3      GLY   1   4.942  14.371   5.196
    4    HA2  GLY   1           HA1      GLY   1   3.774  13.722   2.648
    5    HA3  GLY   1           HA2      GLY   1   5.380  13.365   3.267
    6    H    SER   2           HN       SER   2   5.579  11.550   4.774
    7    HA   SER   2           HA       SER   2   3.678   9.705   5.452
    8    HB2  SER   2           HB2      SER   2   4.432   7.994   3.477
    9    HB3  SER   2           HB1      SER   2   2.957   8.957   3.427
   10    HG   SER   2           HG       SER   2   3.756   9.948   1.770
   11    H    LYS   2           HN       LYS   2   4.764   7.300   5.310
   12    HA   LYS   2           HA       LYS   2   7.424   7.678   6.488
   13    HB2  LYS   2           HB2      LYS   2   6.829   5.161   7.204
   14    HB3  LYS   2           HB1      LYS   2   6.367   6.562   8.157
   15    HG2  LYS   2           HG2      LYS   2   4.517   5.510   6.063
   16    HG3  LYS   2           HG1      LYS   2   4.624   4.717   7.635
   17    HD2  LYS   2           HD2      LYS   2   4.275   7.068   8.615
   18    HD3  LYS   2           HD1      LYS   2   3.745   7.514   6.992
   19    HE2  LYS   2           HE2      LYS   2   1.817   6.938   8.302
   20    HE3  LYS   2           HE1      LYS   2   2.075   5.686   7.088
   21    HZ1  LYS   2           HZ1      LYS   2   1.563   4.991   9.490
   22    HZ2  LYS   2           HZ2      LYS   2   3.178   5.382   9.805
   23    HZ3  LYS   2           HZ3      LYS   2   2.805   4.186   8.669
   24    H    LEU   2           HN       LEU   2   6.012   4.734   5.149
   25    HA   LEU   2           HA       LEU   2   6.822   3.215   3.685
   26    HB2  LEU   2           HB2      LEU   2   7.296   5.832   2.329
   27    HB3  LEU   2           HB1      LEU   2   7.859   4.356   1.570
   28    HG   LEU   2           HG       LEU   2   5.707   4.963   0.663
   29   HD11  LEU   2          HD11      LEU   2   4.425   2.858   1.846
   30   HD12  LEU   2          HD12      LEU   2   6.122   2.491   2.151
   31   HD13  LEU   2          HD13      LEU   2   5.559   2.747   0.502
   32   HD21  LEU   2          HD21      LEU   2   5.144   5.840   3.254
   33   HD22  LEU   2          HD22      LEU   2   4.041   4.494   2.967
   34   HD23  LEU   2          HD23      LEU   2   4.066   5.866   1.858
   35    H    GLU   3           HN       GLU   3   9.347   5.536   2.886
   36    HA   GLU   3           HA       GLU   3  11.568   5.626   3.536
   37    HB2  GLU   3           HB2      GLU   3  11.263   2.839   4.666
   38    HB3  GLU   3           HB1      GLU   3  12.644   3.906   4.852
   39    HG2  GLU   3           HG2      GLU   3   9.912   4.627   5.865
   40    HG3  GLU   3           HG1      GLU   3  11.077   3.715   6.824
   41    H    GLY   4           HN       GLY   4  10.962   2.174   2.781
   42    HA2  GLY   4           HA2      GLY   4  11.901   2.502   0.088
   43    HA3  GLY   4           HA1      GLY   4  13.109   1.772   1.130
   44    H    LYS   5           HN       LYS   5  10.800   1.090  -1.059
   45    HA   LYS   5           HA       LYS   5  10.650  -1.689  -0.201
   46    HB2  LYS   5           HB2      LYS   5   8.215  -0.002  -0.784
   47    HB3  LYS   5           HB1      LYS   5   8.196  -1.758  -0.783
   48    HG2  LYS   5           HG2      LYS   5   7.831  -1.748   1.390
   49    HG3  LYS   5           HG1      LYS   5   9.375  -0.936   1.641
   50    HD2  LYS   5           HD2      LYS   5   7.672   1.072   0.757
   51    HD3  LYS   5           HD1      LYS   5   6.680   0.104   1.846
   52    HE2  LYS   5           HE2      LYS   5   9.088   1.741   2.406
   53    HE3  LYS   5           HE1      LYS   5   7.615   1.542   3.348
   54    HZ1  LYS   5           HZ1      LYS   5   8.560  -0.869   3.626
   55    HZ2  LYS   5           HZ2      LYS   5   9.081   0.391   4.627
   56    HZ3  LYS   5           HZ3      LYS   5  10.036  -0.099   3.321
   57    H    THR   6           HN       THR   6   8.829   0.144  -2.611
   58    HA   THR   6           HA       THR   6  10.390  -0.307  -4.848
   59    HB   THR   6           HB       THR   6  10.227  -2.609  -4.825
   60    HG1  THR   6           HG1      THR   6   7.787  -2.013  -6.123
   61   HG21  THR   6          HG21      THR   6   8.051  -3.811  -4.329
   62   HG22  THR   6          HG22      THR   6   7.488  -2.282  -3.653
   63   HG23  THR   6          HG23      THR   6   8.896  -3.088  -2.961
   64    H    CYS   7           HN       CYS   7   9.277   0.208  -6.838
   65    HA   CYS   7           HA       CYS   7   6.511   1.066  -6.638
   66    HB2  CYS   7           HB2      CYS   7   8.118   3.201  -7.822
   67    HB3  CYS   7           HB1      CYS   7   6.829   3.300  -6.633
   68    H    GLY   8           HN       GLY   8   6.784  -0.903  -8.149
   69    HA2  GLY   8           HA2      GLY   8   7.056   0.153 -10.882
   70    HA3  GLY   8           HA1      GLY   8   7.909  -1.315 -10.441
   71    HA   PRO   9           HA       PRO   9   4.252  -3.568 -11.386
   72    HB2  PRO   9           HB2      PRO   9   4.289  -5.662  -9.700
   73    HB3  PRO   9           HB1      PRO   9   5.520  -5.434 -10.943
   74    HG2  PRO   9           HG2      PRO   9   5.681  -4.963  -8.016
   75    HG3  PRO   9           HG1      PRO   9   6.937  -5.502  -9.138
   76    HD2  PRO   9           HD2      PRO   9   6.590  -2.894  -8.154
   77    HD3  PRO   9           HD1      PRO   9   7.617  -3.373  -9.519
   78    H    SER  10           HN       SER  10   3.784  -4.712  -8.135
   79    HA   SER  10           HA       SER  10   1.157  -3.493  -8.099
   80    HB2  SER  10           HB2      SER  10   0.757  -4.915  -6.139
   81    HB3  SER  10           HB1      SER  10   1.418  -5.864  -7.470
   82    HG   SER  10           HG       SER  10   3.151  -6.249  -6.331
   83    H    SER  11           HN       SER  11   2.465  -1.358  -7.971
   84    HA   SER  11           HA       SER  11   2.545  -0.600  -5.141
   85    HB2  SER  11           HB2      SER  11   4.681  -0.187  -7.199
   86    HB3  SER  11           HB1      SER  11   4.473   1.002  -5.913
   87    HG   SER  11           HG       SER  11   5.081  -1.752  -5.670
   88    H    PHE  12           HN       PHE  12   2.123   1.607  -4.711
   89    HA   PHE  12           HA       PHE  12   0.895   3.095  -6.933
   90    HB2  PHE  12           HB2      PHE  12  -0.952   2.194  -5.733
   91    HB3  PHE  12           HB1      PHE  12  -0.215   2.568  -4.181
   92    HD1  PHE  12           HD1      PHE  12  -1.403   4.297  -7.266
   93    HD2  PHE  12           HD2      PHE  12  -0.955   4.409  -3.035
   94    HE1  PHE  12           HE1      PHE  12  -2.633   6.428  -7.195
   95    HE2  PHE  12           HE2      PHE  12  -2.185   6.537  -2.957
   96    HZ   PHE  12           HZ       PHE  12  -3.026   7.550  -5.038
   97    H    SER  13           HN       SER  13   1.792   5.037  -7.170
   98    HA   SER  13           HA       SER  13   3.689   6.070  -5.336
   99    HB2  SER  13           HB2      SER  13   3.946   6.615  -7.656
  100    HB3  SER  13           HB1      SER  13   2.325   7.302  -7.731
  101    HG   SER  13           HG       SER  13   4.333   8.334  -6.029
  102    H    CYS  14           HN       CYS  14   3.307   7.081  -3.486
  103    HA   CYS  14           HA       CYS  14   0.773   7.797  -2.567
  104    HB2  CYS  14           HB2      CYS  14   3.547   8.170  -1.645
  105    HB3  CYS  14           HB1      CYS  14   2.397   9.346  -1.024
  106    HA   PRO  15           HA       PRO  15   0.141  11.436  -5.160
  107    HB2  PRO  15           HB2      PRO  15  -2.082  11.706  -3.195
  108    HB3  PRO  15           HB1      PRO  15  -2.119  11.809  -4.957
  109    HG2  PRO  15           HG2      PRO  15  -3.016   9.640  -3.709
  110    HG3  PRO  15           HG1      PRO  15  -2.111   9.509  -5.228
  111    HD2  PRO  15           HD2      PRO  15  -1.218   8.950  -2.439
  112    HD3  PRO  15           HD1      PRO  15  -0.768   8.144  -3.950
  113    H    GLY  16           HN       GLY  16   0.890  13.453  -4.930
  114    HA2  GLY  16           HA2      GLY  16   1.381  15.482  -3.922
  115    HA3  GLY  16           HA1      GLY  16   0.694  14.872  -2.426
  116    H    THR  17           HN       THR  17   2.758  12.511  -3.250
  117    HA   THR  17           HA       THR  17   5.168  13.827  -2.256
  118    HB   THR  17           HB       THR  17   5.493  11.930  -0.625
  119    HG1  THR  17           HG1      THR  17   3.549  10.852  -0.011
  120   HG21  THR  17          HG21      THR  17   3.465  14.052  -0.331
  121   HG22  THR  17          HG22      THR  17   4.925  13.732   0.605
  122   HG23  THR  17          HG23      THR  17   3.471  12.770   0.880
  123    H    HIS  18           HN       HIS  18   7.018  13.023  -3.071
  124    HA   HIS  18           HA       HIS  18   7.015  11.426  -5.349
  125    HB2  HIS  18           HB2      HIS  18   9.503  11.230  -4.915
  126    HB3  HIS  18           HB1      HIS  18   8.871  12.872  -4.967
  127    HD1  HIS  18           HD1      HIS  18  10.545  10.443  -2.704
  128    HD2  HIS  18           HD2      HIS  18   8.759  14.186  -2.471
  129    HE1  HIS  18           HE1      HIS  18  11.222  11.416  -0.470
  130    H    VAL  19           HN       VAL  19   6.968  10.546  -2.024
  131    HA   VAL  19           HA       VAL  19   8.154   8.038  -2.033
  132    HB   VAL  19           HB       VAL  19   7.467   9.145   0.017
  133   HG11  VAL  19          HG11      VAL  19   5.457  10.037   0.307
  134   HG12  VAL  19          HG12      VAL  19   4.676   8.476   0.057
  135   HG13  VAL  19          HG13      VAL  19   5.033   9.514  -1.323
  136   HG21  VAL  19          HG21      VAL  19   6.144   6.477  -0.442
  137   HG22  VAL  19          HG22      VAL  19   6.354   7.215   1.146
  138   HG23  VAL  19          HG23      VAL  19   7.766   6.776   0.184
  139    H    CYS  20           HN       CYS  20   7.347   5.933  -2.270
  140    HA   CYS  20           HA       CYS  20   4.849   5.736  -3.819
  141    HB2  CYS  20           HB2      CYS  20   5.807   3.882  -5.053
  142    HB3  CYS  20           HB1      CYS  20   6.868   5.280  -5.179
  143    H    VAL  21           HN       VAL  21   3.293   4.672  -2.831
  144    HA   VAL  21           HA       VAL  21   3.970   2.857  -0.633
  145    HB   VAL  21           HB       VAL  21   2.417   4.534   0.032
  146   HG11  VAL  21          HG11      VAL  21   0.828   3.763  -2.407
  147   HG12  VAL  21          HG12      VAL  21   1.608   5.309  -2.076
  148   HG13  VAL  21          HG13      VAL  21   0.218   4.801  -1.120
  149   HG21  VAL  21          HG21      VAL  21   1.985   2.193   0.792
  150   HG22  VAL  21          HG22      VAL  21   0.766   2.067  -0.476
  151   HG23  VAL  21          HG23      VAL  21   0.569   3.244   0.823
  152    HA   PRO  22           HA       PRO  22   3.248  -0.577  -3.409
  153    HB2  PRO  22           HB2      PRO  22   2.987  -2.048  -0.846
  154    HB3  PRO  22           HB1      PRO  22   4.032  -2.371  -2.233
  155    HG2  PRO  22           HG2      PRO  22   5.039  -1.352   0.008
  156    HG3  PRO  22           HG1      PRO  22   5.612  -0.806  -1.575
  157    HD2  PRO  22           HD2      PRO  22   3.728   0.533   0.322
  158    HD3  PRO  22           HD1      PRO  22   5.018   1.239  -0.674
  159    H    GLU  23           HN       GLU  23   1.556  -2.010  -3.957
  160    HA   GLU  23           HA       GLU  23  -1.041  -1.068  -3.508
  161    HB2  GLU  23           HB2      GLU  23   0.108  -2.851  -5.239
  162    HB3  GLU  23           HB1      GLU  23  -0.840  -3.917  -4.213
  163    HG2  GLU  23           HG2      GLU  23  -2.855  -2.800  -4.763
  164    HG3  GLU  23           HG1      GLU  23  -1.984  -1.481  -5.545
  165    H    ARG  24           HN       ARG  24   0.844  -3.533  -1.875
  166    HA   ARG  24           HA       ARG  24  -1.291  -4.631  -0.362
  167    HB2  ARG  24           HB2      ARG  24   0.524  -6.055  -0.413
  168    HB3  ARG  24           HB1      ARG  24   1.689  -4.753  -0.267
  169    HG2  ARG  24           HG2      ARG  24   1.877  -5.888   1.744
  170    HG3  ARG  24           HG1      ARG  24   0.831  -4.529   2.151
  171    HD2  ARG  24           HD2      ARG  24  -0.823  -6.636   1.247
  172    HD3  ARG  24           HD1      ARG  24   0.325  -7.323   2.393
  173    HE   ARG  24           HE       ARG  24  -0.844  -4.919   3.375
  174   HH11  ARG  24          HH11      ARG  24  -1.425  -8.330   2.926
  175   HH12  ARG  24          HH12      ARG  24  -2.557  -8.438   4.232
  176   HH21  ARG  24          HH21      ARG  24  -2.337  -5.061   5.097
  177   HH22  ARG  24          HH22      ARG  24  -3.074  -6.584   5.463
  178    H    TRP  25           HN       TRP  25   0.493  -1.724  -0.164
  179    HA   TRP  25           HA       TRP  25  -0.180  -1.307   2.643
  180    HB2  TRP  25           HB2      TRP  25   1.512   0.277   0.709
  181    HB3  TRP  25           HB1      TRP  25   1.190   0.776   2.367
  182    HD1  TRP  25           HD1      TRP  25   1.888  -2.901   1.561
  183    HE1  TRP  25           HE1      TRP  25   4.130  -3.566   2.632
  184    HE3  TRP  25           HE3      TRP  25   3.435   1.710   3.115
  185    HZ2  TRP  25           HZ2      TRP  25   6.277  -2.300   3.956
  186    HZ3  TRP  25           HZ3      TRP  25   5.592   1.901   4.281
  187    HH2  TRP  25           HH2      TRP  25   6.984  -0.064   4.691
  188    H    LEU  26           HN       LEU  26  -1.975  -1.150   0.063
  189    HA   LEU  26           HA       LEU  26  -2.946   1.562   0.184
  190    HB2  LEU  26           HB2      LEU  26  -3.477  -0.850  -1.430
  191    HB3  LEU  26           HB1      LEU  26  -4.848   0.206  -1.193
  192    HG   LEU  26           HG       LEU  26  -3.851   1.978  -2.350
  193   HD11  LEU  26          HD11      LEU  26  -1.210   0.534  -2.319
  194   HD12  LEU  26          HD12      LEU  26  -1.652   1.818  -1.195
  195   HD13  LEU  26          HD13      LEU  26  -1.538   2.158  -2.919
  196   HD21  LEU  26          HD21      LEU  26  -3.070  -0.610  -3.674
  197   HD22  LEU  26          HD22      LEU  26  -3.039   0.960  -4.478
  198   HD23  LEU  26          HD23      LEU  26  -4.566   0.301  -3.890
  199    H    CYS  27           HN       CYS  27  -4.645  -1.535   0.592
  200    HA   CYS  27           HA       CYS  27  -6.331  -0.255   2.630
  201    HB2  CYS  27           HB2      CYS  27  -6.938  -2.939   1.437
  202    HB3  CYS  27           HB1      CYS  27  -8.045  -1.744   2.098
  203    H    ASP  28           HN       ASP  28  -3.627  -1.231   3.132
  204    HA   ASP  28           HA       ASP  28  -3.680  -3.735   4.427
  205    HB2  ASP  28           HB2      ASP  28  -1.468  -3.387   4.636
  206    HB3  ASP  28           HB1      ASP  28  -1.728  -1.897   3.743
  207    H    GLY  29           HN       GLY  29  -4.550  -0.525   5.447
  208    HA2  GLY  29           HA2      GLY  29  -6.178  -0.397   7.270
  209    HA3  GLY  29           HA1      GLY  29  -5.239  -1.630   8.095
  210    H    ASP  30           HN       ASP  30  -4.091   1.264   6.420
  211    HA   ASP  30           HA       ASP  30  -3.730   2.918   8.634
  212    HB2  ASP  30           HB2      ASP  30  -1.670   0.847   8.297
  213    HB3  ASP  30           HB1      ASP  30  -1.029   2.483   8.414
  214    H    LYS  31           HN       LYS  31  -3.706   4.839   7.687
  215    HA   LYS  31           HA       LYS  31  -3.241   5.287   4.979
  216    HB2  LYS  31           HB2      LYS  31  -3.113   7.228   7.288
  217    HB3  LYS  31           HB1      LYS  31  -3.142   7.700   5.597
  218    HG2  LYS  31           HG2      LYS  31  -5.327   6.641   5.338
  219    HG3  LYS  31           HG1      LYS  31  -5.302   6.184   7.042
  220    HD2  LYS  31           HD2      LYS  31  -5.853   8.254   7.729
  221    HD3  LYS  31           HD1      LYS  31  -4.801   9.030   6.544
  222    HE2  LYS  31           HE2      LYS  31  -6.515   9.435   5.188
  223    HE3  LYS  31           HE1      LYS  31  -7.029   7.750   5.243
  224    HZ1  LYS  31           HZ1      LYS  31  -8.455   8.147   6.981
  225    HZ2  LYS  31           HZ2      LYS  31  -8.589   9.598   6.122
  226    HZ3  LYS  31           HZ3      LYS  31  -7.627   9.524   7.511
  227    H    ASP  32           HN       ASP  32  -1.303   4.341   4.374
  228    HA   ASP  32           HA       ASP  32   1.203   4.886   5.533
  229    HB2  ASP  32           HB2      ASP  32   0.479   3.996   2.735
  230    HB3  ASP  32           HB1      ASP  32   2.115   4.008   3.382
  231    H    CYS  33           HN       CYS  33  -0.583   6.384   2.889
  232    HA   CYS  33           HA       CYS  33   1.495   8.184   2.136
  233    HB2  CYS  33           HB2      CYS  33  -1.467   8.109   1.571
  234    HB3  CYS  33           HB1      CYS  33  -0.421   9.372   0.941
  235    H    ALA  34           HN       ALA  34   0.553  10.651   1.993
  236    HA   ALA  34           HA       ALA  34   0.817  11.628   4.643
  237    HB1  ALA  34           HB1      ALA  34   1.172  13.627   3.673
  238    HB2  ALA  34           HB2      ALA  34  -0.222  13.476   2.604
  239    HB3  ALA  34           HB3      ALA  34   1.292  12.666   2.199
  240    H    ASP  35           HN       ASP  35  -1.923  11.473   2.385
  241    HA   ASP  35           HA       ASP  35  -3.698  12.129   4.646
  242    HB2  ASP  35           HB2      ASP  35  -3.718  12.981   1.799
  243    HB3  ASP  35           HB1      ASP  35  -5.279  12.678   2.556
  244    H    GLY  36           HN       GLY  36  -2.708   9.471   3.844
  245    HA2  GLY  36           HA2      GLY  36  -3.593   7.347   3.770
  246    HA3  GLY  36           HA1      GLY  36  -5.168   8.073   4.041
  247    H    ALA  37           HN       ALA  37  -3.232   9.047   1.324
  248    HA   ALA  37           HA       ALA  37  -5.216   8.592  -0.569
  249    HB1  ALA  37           HB1      ALA  37  -3.097   8.504  -2.149
  250    HB2  ALA  37           HB2      ALA  37  -2.288   9.072  -0.688
  251    HB3  ALA  37           HB3      ALA  37  -3.618  10.002  -1.379
  252    H    ASP  38           HN       ASP  38  -2.679   6.488   0.629
  253    HA   ASP  38           HA       ASP  38  -2.857   4.438  -1.279
  254    HB2  ASP  38           HB2      ASP  38  -1.826   3.011   0.443
  255    HB3  ASP  38           HB1      ASP  38  -1.034   4.576   0.359
  256    H    GLU  39           HN       GLU  39  -4.618   5.040   1.717
  257    HA   GLU  39           HA       GLU  39  -6.216   2.654   1.460
  258    HB2  GLU  39           HB2      GLU  39  -6.542   5.028   3.303
  259    HB3  GLU  39           HB1      GLU  39  -7.408   3.503   3.433
  260    HG2  GLU  39           HG2      GLU  39  -4.536   3.126   3.373
  261    HG3  GLU  39           HG1      GLU  39  -5.048   4.174   4.694
  262    H    SER  40           HN       SER  40  -6.337   5.907   0.373
  263    HA   SER  40           HA       SER  40  -9.151   6.132   0.027
  264    HB2  SER  40           HB2      SER  40  -6.895   7.602  -1.357
  265    HB3  SER  40           HB1      SER  40  -8.596   8.064  -1.405
  266    HG   SER  40           HG       SER  40  -7.703   9.255   0.207
  267    H    ILE  41           HN       ILE  41 -10.032   6.543  -2.251
  268    HA   ILE  41           HA       ILE  41  -9.760   4.110  -3.710
  269    HB   ILE  41           HB       ILE  41 -11.877   5.439  -3.463
  270   HG12  ILE  41          HG12      ILE  41 -12.365   5.164  -6.058
  271   HG13  ILE  41          HG11      ILE  41 -10.805   4.354  -6.016
  272   HG21  ILE  41          HG21      ILE  41 -10.802   7.635  -3.981
  273   HG22  ILE  41          HG22      ILE  41 -12.297   7.318  -4.864
  274   HG23  ILE  41          HG23      ILE  41 -10.739   7.134  -5.672
  275   HD11  ILE  41          HD11      ILE  41 -13.325   3.304  -5.364
  276   HD12  ILE  41          HD12      ILE  41 -12.407   3.404  -3.861
  277   HD13  ILE  41          HD13      ILE  41 -11.751   2.518  -5.239
  278    H    ALA  42           HN       ALA  42  -8.354   7.261  -3.929
  279    HA   ALA  42           HA       ALA  42  -7.659   7.532  -6.567
  280    HB1  ALA  42           HB1      ALA  42  -5.406   8.429  -5.394
  281    HB2  ALA  42           HB2      ALA  42  -6.489   8.390  -4.002
  282    HB3  ALA  42           HB3      ALA  42  -6.919   9.335  -5.429
  283    H    ALA  43           HN       ALA  43  -6.420   5.287  -4.223
  284    HA   ALA  43           HA       ALA  43  -4.256   4.428  -5.984
  285    HB1  ALA  43           HB1      ALA  43  -3.373   3.269  -4.156
  286    HB2  ALA  43           HB2      ALA  43  -4.929   3.210  -3.328
  287    HB3  ALA  43           HB3      ALA  43  -4.051   4.734  -3.444
  288    H    GLY  44           HN       GLY  44  -7.433   3.493  -4.964
  289    HA2  GLY  44           HA2      GLY  44  -8.684   1.989  -6.397
  290    HA3  GLY  44           HA1      GLY  44  -7.203   1.070  -6.630
  291    H    CYS  45           HN       CYS  45  -8.365   2.324  -3.561
  292    HA   CYS  45           HA       CYS  45  -8.198  -0.304  -2.397
  293    HB2  CYS  45           HB2      CYS  45  -8.157   2.403  -1.454
  294    HB3  CYS  45           HB1      CYS  45  -9.390   1.513  -0.570
  295    H    LEU  46           HN       LEU  46 -10.538   1.100  -4.207
  296    HA   LEU  46           HA       LEU  46 -12.719   0.598  -4.601
  297    HB2  LEU  46           HB2      LEU  46 -12.501  -1.493  -2.447
  298    HB3  LEU  46           HB1      LEU  46 -13.664  -1.428  -3.754
  299    HG   LEU  46           HG       LEU  46 -12.274  -3.024  -4.588
  300   HD11  LEU  46          HD11      LEU  46 -10.484  -0.809  -5.472
  301   HD12  LEU  46          HD12      LEU  46 -12.171  -0.831  -5.986
  302   HD13  LEU  46          HD13      LEU  46 -11.110  -2.183  -6.383
  303   HD21  LEU  46          HD21      LEU  46 -10.678  -2.412  -2.497
  304   HD22  LEU  46          HD22      LEU  46  -9.664  -1.898  -3.845
  305   HD23  LEU  46          HD23      LEU  46 -10.253  -3.558  -3.768
  306    H    TYR  47           HN       TYR  47 -11.696   2.276  -2.207
  307    HA   TYR  47           HA       TYR  47 -14.169   3.301  -1.407
  308    HB2  TYR  47           HB2      TYR  47 -14.334   2.562   0.900
  309    HB3  TYR  47           HB1      TYR  47 -14.338   1.158  -0.161
  310    HD1  TYR  47           HD1      TYR  47 -12.278   3.120   2.195
  311    HD2  TYR  47           HD2      TYR  47 -12.632  -0.483  -0.030
  312    HE1  TYR  47           HE1      TYR  47 -10.394   2.168   3.454
  313    HE2  TYR  47           HE2      TYR  47 -10.752  -1.452   1.219
  314    HH   TYR  47           HH       TYR  47  -8.599   0.239   2.905
  315    H    ASN  48           HN       ASN  48 -13.719   4.471   0.958
  316    HA   ASN  48           HA       ASN  48 -11.153   5.345   1.570
  317    HB2  ASN  48           HB2      ASN  48 -11.118   6.309  -0.681
  318    HB3  ASN  48           HB1      ASN  48 -12.587   7.209  -0.327
  319   HD21  ASN  48          HD21      ASN  48 -10.890   8.857  -1.112
  320   HD22  ASN  48          HD22      ASN  48 -10.018   9.668   0.139
  321    H    SER  49           HN       SER  49 -14.562   6.126   1.365
  322    HA   SER  49           HA       SER  49 -14.990   8.217   2.983
  323    HB2  SER  49           HB2      SER  49 -16.579   6.232   2.031
  324    HB3  SER  49           HB1      SER  49 -16.642   5.897   3.761
  325    HG   SER  49           HG       SER  49 -17.694   7.999   2.328
  326    H    THR  50           HN       THR  50 -14.734   4.919   4.339
  327    HA   THR  50           HA       THR  50 -14.640   5.736   7.020
  328    HB   THR  50           HB       THR  50 -13.685   3.465   7.447
  329    HG1  THR  50           HG1      THR  50 -13.855   3.159   4.637
  330   HG21  THR  50          HG21      THR  50 -15.984   3.426   5.508
  331   HG22  THR  50          HG22      THR  50 -16.114   3.737   7.240
  332   HG23  THR  50          HG23      THR  50 -15.556   2.165   6.665
  333    H    GLY  51           HN       GLY  51 -11.936   4.546   5.010
  334    HA2  GLY  51           HA2      GLY  51  -9.711   5.123   4.994
  335    HA3  GLY  51           HA1      GLY  51 -10.167   6.611   5.810
  336    H    SER  52           HN       SER  52 -10.819   3.411   7.085
  337    HA   SER  52           HA       SER  52  -8.791   3.889   9.169
  338    HB2  SER  52           HB2      SER  52 -10.467   2.427  10.576
  339    HB3  SER  52           HB1      SER  52 -10.749   4.157  10.379
  340    HG   SER  52           HG       SER  52 -12.596   3.586   9.575
  341    H    GLY  53           HN       GLY  53 -10.617   1.449   7.363
  342    HA2  GLY  53           HA2      GLY  53  -8.311  -0.236   7.157
  343    HA3  GLY  53           HA1      GLY  53  -9.493  -0.877   8.288
  344    H    SER  54           HN       SER  54  -9.042  -2.515   6.331
  345    HA   SER  54           HA       SER  54 -10.445  -2.087   3.916
  346    HB2  SER  54           HB2      SER  54  -9.969  -4.326   3.406
  347    HB3  SER  54           HB1      SER  54  -8.648  -3.866   4.479
  348    HG   SER  54           HG       SER  54 -10.587  -5.740   4.823
  349    H    GLY  55           HN       GLY  55 -12.484  -2.747   3.245
  350    HA2  GLY  55           HA2      GLY  55 -14.295  -4.325   4.622
  351    HA3  GLY  55           HA1      GLY  55 -14.523  -2.691   5.228
  352    H    SER  56           HN       SER  56 -14.002  -4.198   2.037
  353    HA   SER  56           HA       SER  56 -16.535  -3.104   1.119
  354    HB2  SER  56           HB2      SER  56 -14.057  -2.534  -0.501
  355    HB3  SER  56           HB1      SER  56 -15.665  -1.839  -0.676
  356    HG   SER  56           HG       SER  56 -13.936  -1.439   1.538
  357    H    GLY  57           HN       GLY  57 -15.550  -5.761   1.629
  358    HA2  GLY  57           HA2      GLY  57 -16.339  -7.677   0.401
  359    HA3  GLY  57           HA1      GLY  57 -15.874  -6.861  -1.084
  360    H    SER 129           HN       SER 129 -15.118  -9.473  -0.581
  361    HA   SER 129           HA       SER 129 -12.667  -9.888   0.648
  362    HB2  SER 129           HB2      SER 129 -13.830 -11.213  -1.808
  363    HB3  SER 129           HB1      SER 129 -12.404 -11.799  -0.952
  364    HG   SER 129           HG       SER 129 -14.880 -11.375   0.347
  365    H    THR 130           HN       THR 130 -13.392  -8.248  -2.307
  366    HA   THR 130           HA       THR 130 -11.071  -8.448  -3.761
  367    HB   THR 130           HB       THR 130 -12.209  -5.723  -3.506
  368    HG1  THR 130           HG1      THR 130 -14.175  -6.411  -3.591
  369   HG21  THR 130          HG21      THR 130 -10.926  -5.854  -5.390
  370   HG22  THR 130          HG22      THR 130 -12.514  -6.256  -6.044
  371   HG23  THR 130          HG23      THR 130 -11.352  -7.538  -5.698
  372    H    GLU 131           HN       GLU 131 -11.664  -6.671  -0.821
  373    HA   GLU 131           HA       GLU 131  -9.442  -4.973  -0.825
  374    HB2  GLU 131           HB2      GLU 131 -11.393  -5.953   1.124
  375    HB3  GLU 131           HB1      GLU 131  -9.825  -5.588   1.835
  376    HG2  GLU 131           HG2      GLU 131 -11.190  -3.646   1.991
  377    HG3  GLU 131           HG1      GLU 131  -9.939  -3.343   0.785
  378    H    GLU 132           HN       GLU 132  -9.824  -8.274   0.409
  379    HA   GLU 132           HA       GLU 132  -7.074  -8.429   1.261
  380    HB2  GLU 132           HB2      GLU 132  -8.767 -10.865   0.916
  381    HB3  GLU 132           HB1      GLU 132  -7.607 -10.482   2.181
  382    HG2  GLU 132           HG2      GLU 132  -9.536  -8.579   2.556
  383    HG3  GLU 132           HG1      GLU 132 -10.474  -9.980   2.042
  384    H    LEU 133           HN       LEU 133  -8.985  -9.378  -1.492
  385    HA   LEU 133           HA       LEU 133  -7.253 -11.190  -2.714
  386    HB2  LEU 133           HB2      LEU 133  -9.496  -9.476  -3.551
  387    HB3  LEU 133           HB1      LEU 133  -8.419  -9.975  -4.839
  388    HG   LEU 133           HG       LEU 133  -8.883 -12.282  -4.453
  389   HD11  LEU 133          HD11      LEU 133  -9.884 -11.294  -1.855
  390   HD12  LEU 133          HD12      LEU 133  -9.019 -12.779  -2.251
  391   HD13  LEU 133          HD13      LEU 133 -10.748 -12.654  -2.572
  392   HD21  LEU 133          HD21      LEU 133 -10.829 -10.440  -5.205
  393   HD22  LEU 133          HD22      LEU 133 -11.652 -11.536  -4.095
  394   HD23  LEU 133          HD23      LEU 133 -10.832 -12.176  -5.519
  395    H    ARG 134           HN       ARG 134  -7.645  -7.731  -3.517
  396    HA   ARG 134           HA       ARG 134  -5.380  -7.628  -5.190
  397    HB2  ARG 134           HB2      ARG 134  -5.704  -5.262  -5.250
  398    HB3  ARG 134           HB1      ARG 134  -7.293  -6.011  -5.214
  399    HG2  ARG 134           HG2      ARG 134  -7.519  -5.499  -2.859
  400    HG3  ARG 134           HG1      ARG 134  -5.887  -4.831  -2.827
  401    HD2  ARG 134           HD2      ARG 134  -8.330  -3.749  -4.198
  402    HD3  ARG 134           HD1      ARG 134  -7.314  -2.971  -2.986
  403    HE   ARG 134           HE       ARG 134  -5.792  -2.410  -4.637
  404   HH11  ARG 134          HH11      ARG 134  -8.286  -4.473  -5.955
  405   HH12  ARG 134          HH12      ARG 134  -7.849  -4.154  -7.599
  406   HH21  ARG 134          HH21      ARG 134  -5.225  -1.993  -6.800
  407   HH22  ARG 134          HH22      ARG 134  -6.115  -2.750  -8.079
  408    H    VAL 135           HN       VAL 135  -5.833  -6.821  -1.775
  409    HA   VAL 135           HA       VAL 135  -3.176  -5.840  -1.419
  410    HB   VAL 135           HB       VAL 135  -5.172  -6.768   0.647
  411   HG11  VAL 135          HG11      VAL 135  -3.302  -6.707   1.932
  412   HG12  VAL 135          HG12      VAL 135  -3.682  -4.984   1.957
  413   HG13  VAL 135          HG13      VAL 135  -2.459  -5.603   0.846
  414   HG21  VAL 135          HG21      VAL 135  -4.528  -3.968  -0.256
  415   HG22  VAL 135          HG22      VAL 135  -5.782  -4.462   0.882
  416   HG23  VAL 135          HG23      VAL 135  -5.914  -4.898  -0.822
  417    H    ARG 136           HN       ARG 136  -4.379  -8.961  -1.811
  418    HA   ARG 136           HA       ARG 136  -2.589 -10.314  -0.018
  419    HB2  ARG 136           HB2      ARG 136  -4.681 -11.068  -1.937
  420    HB3  ARG 136           HB1      ARG 136  -3.353 -12.215  -1.834
  421    HG2  ARG 136           HG2      ARG 136  -3.785 -12.721   0.377
  422    HG3  ARG 136           HG1      ARG 136  -4.663 -11.215   0.655
  423    HD2  ARG 136           HD2      ARG 136  -6.208 -13.082   0.593
  424    HD3  ARG 136           HD1      ARG 136  -6.476 -12.024  -0.791
  425    HE   ARG 136           HE       ARG 136  -5.834 -13.729  -2.185
  426   HH11  ARG 136          HH11      ARG 136  -4.949 -14.538   1.093
  427   HH12  ARG 136          HH12      ARG 136  -4.515 -16.168   0.705
  428   HH21  ARG 136          HH21      ARG 136  -5.265 -15.873  -2.696
  429   HH22  ARG 136          HH22      ARG 136  -4.694 -16.927  -1.446
  430    H    LEU 137           HN       LEU 137  -2.707  -9.802  -3.539
  431    HA   LEU 137           HA       LEU 137  -0.438 -11.247  -4.236
  432    HB2  LEU 137           HB2      LEU 137  -2.087 -10.248  -5.818
  433    HB3  LEU 137           HB1      LEU 137  -1.377  -8.676  -5.508
  434    HG   LEU 137           HG       LEU 137  -0.651  -9.815  -7.640
  435   HD11  LEU 137          HD11      LEU 137   1.738  -9.355  -5.915
  436   HD12  LEU 137          HD12      LEU 137   0.617  -8.029  -6.225
  437   HD13  LEU 137          HD13      LEU 137   1.425  -8.833  -7.571
  438   HD21  LEU 137          HD21      LEU 137   1.335 -11.412  -6.181
  439   HD22  LEU 137          HD22      LEU 137   0.449 -11.773  -7.663
  440   HD23  LEU 137          HD23      LEU 137  -0.320 -12.017  -6.094
  441    H    ALA 138           HN       ALA 138  -0.628  -7.724  -3.714
  442    HA   ALA 138           HA       ALA 138   2.112  -7.224  -3.836
  443    HB1  ALA 138           HB1      ALA 138   1.612  -5.112  -2.723
  444    HB2  ALA 138           HB2      ALA 138   0.010  -5.713  -2.292
  445    HB3  ALA 138           HB3      ALA 138   0.436  -5.468  -3.987
  446    H    SER 139           HN       SER 139   0.249  -8.674  -1.332
  447    HA   SER 139           HA       SER 139   1.981  -8.046   0.843
  448    HB2  SER 139           HB2      SER 139  -0.380  -8.685   1.154
  449    HB3  SER 139           HB1      SER 139  -0.011 -10.307   0.575
  450    HG   SER 139           HG       SER 139   0.897 -10.772   2.432
  451    H    HIS 140           HN       HIS 140   2.399 -10.035  -1.809
  452    HA   HIS 140           HA       HIS 140   3.626 -12.303  -0.737
  453    HB2  HIS 140           HB2      HIS 140   4.600 -12.625  -2.953
  454    HB3  HIS 140           HB1      HIS 140   2.908 -12.163  -3.068
  455    HD1  HIS 140           HD1      HIS 140   3.704  -8.990  -2.653
  456    HD2  HIS 140           HD2      HIS 140   5.097 -11.664  -5.504
  457    HE1  HIS 140           HE1      HIS 140   4.503  -7.596  -4.599
  458    H    LEU 141           HN       LEU 141   4.931  -9.084  -1.307
  459    HA   LEU 141           HA       LEU 141   7.403  -9.969   0.000
  460    HB2  LEU 141           HB2      LEU 141   7.920  -9.977  -2.346
  461    HB3  LEU 141           HB1      LEU 141   7.240  -8.374  -2.549
  462    HG   LEU 141           HG       LEU 141   9.220  -8.082  -0.587
  463   HD11  LEU 141          HD11      LEU 141  11.173  -9.085  -1.393
  464   HD12  LEU 141          HD12      LEU 141  10.412  -9.549  -2.915
  465   HD13  LEU 141          HD13      LEU 141   9.963 -10.368  -1.418
  466   HD21  LEU 141          HD21      LEU 141  10.387  -6.826  -2.394
  467   HD22  LEU 141          HD22      LEU 141   8.690  -6.391  -2.192
  468   HD23  LEU 141          HD23      LEU 141   9.181  -7.433  -3.529
  469    H    ARG 142           HN       ARG 142   5.596  -7.133  -1.170
  470    HA   ARG 142           HA       ARG 142   6.778  -5.047   0.005
  471    HB2  ARG 142           HB2      ARG 142   3.803  -5.551   0.159
  472    HB3  ARG 142           HB1      ARG 142   4.593  -3.985   0.281
  473    HG2  ARG 142           HG2      ARG 142   4.486  -5.782  -2.127
  474    HG3  ARG 142           HG1      ARG 142   3.691  -4.223  -1.918
  475    HD2  ARG 142           HD2      ARG 142   5.812  -3.091  -1.881
  476    HD3  ARG 142           HD1      ARG 142   6.678  -4.626  -1.885
  477    HE   ARG 142           HE       ARG 142   5.606  -3.259  -4.146
  478   HH11  ARG 142          HH11      ARG 142   6.345  -6.418  -2.861
  479   HH12  ARG 142          HH12      ARG 142   6.503  -7.153  -4.421
  480   HH21  ARG 142          HH21      ARG 142   5.815  -4.223  -6.196
  481   HH22  ARG 142          HH22      ARG 142   6.202  -5.907  -6.315
  482    H    LYS 143           HN       LYS 143   4.115  -6.576   1.822
  483    HA   LYS 143           HA       LYS 143   4.972  -5.474   4.284
  484    HB2  LYS 143           HB2      LYS 143   2.736  -6.943   3.327
  485    HB3  LYS 143           HB1      LYS 143   3.357  -7.783   4.742
  486    HG2  LYS 143           HG2      LYS 143   1.651  -6.181   5.365
  487    HG3  LYS 143           HG1      LYS 143   3.216  -5.719   6.036
  488    HD2  LYS 143           HD2      LYS 143   3.442  -3.915   4.624
  489    HD3  LYS 143           HD1      LYS 143   2.380  -4.608   3.397
  490    HE2  LYS 143           HE2      LYS 143   1.454  -2.640   4.684
  491    HE3  LYS 143           HE1      LYS 143   0.441  -4.082   4.638
  492    HZ1  LYS 143           HZ1      LYS 143   0.697  -4.442   6.836
  493    HZ2  LYS 143           HZ2      LYS 143   0.994  -2.778   6.871
  494    HZ3  LYS 143           HZ3      LYS 143   2.288  -3.867   6.876
  495    H    LEU 144           HN       LEU 144   6.056  -8.169   2.515
  496    HA   LEU 144           HA       LEU 144   6.942  -9.726   4.763
  497    HB2  LEU 144           HB2      LEU 144   6.753 -10.048   1.912
  498    HB3  LEU 144           HB1      LEU 144   8.361 -10.492   2.449
  499    HG   LEU 144           HG       LEU 144   7.071 -11.905   4.237
  500   HD11  LEU 144          HD11      LEU 144   4.863 -10.986   3.648
  501   HD12  LEU 144          HD12      LEU 144   4.938 -12.739   3.473
  502   HD13  LEU 144          HD13      LEU 144   5.013 -11.707   2.045
  503   HD21  LEU 144          HD21      LEU 144   7.497 -13.756   2.960
  504   HD22  LEU 144          HD22      LEU 144   8.453 -12.553   2.093
  505   HD23  LEU 144          HD23      LEU 144   6.865 -13.021   1.486
  506    H    ARG 145           HN       ARG 145   8.860  -8.377   2.079
  507    HA   ARG 145           HA       ARG 145  11.045  -7.916   3.981
  508    HB2  ARG 145           HB2      ARG 145  10.900  -8.643   1.128
  509    HB3  ARG 145           HB1      ARG 145  12.167  -7.497   1.544
  510    HG2  ARG 145           HG2      ARG 145  11.766 -10.261   2.658
  511    HG3  ARG 145           HG1      ARG 145  13.085  -9.687   1.641
  512    HD2  ARG 145           HD2      ARG 145  14.195  -9.391   3.562
  513    HD3  ARG 145           HD1      ARG 145  13.193  -7.951   3.748
  514    HE   ARG 145           HE       ARG 145  11.669  -9.901   4.834
  515   HH11  ARG 145          HH11      ARG 145  14.975  -8.905   5.341
  516   HH12  ARG 145          HH12      ARG 145  14.998  -9.389   7.003
  517   HH21  ARG 145          HH21      ARG 145  11.696 -10.538   7.020
  518   HH22  ARG 145          HH22      ARG 145  13.136 -10.317   7.957
  519    H    LYS 146           HN       LYS 146  12.560  -6.057   2.849
  520    HA   LYS 146           HA       LYS 146  10.973  -3.761   2.066
  521    HB2  LYS 146           HB2      LYS 146  11.567  -4.171   4.779
  522    HB3  LYS 146           HB1      LYS 146  12.695  -2.936   4.236
  523    HG2  LYS 146           HG2      LYS 146  11.105  -1.409   4.362
  524    HG3  LYS 146           HG1      LYS 146  10.133  -2.303   3.192
  525    HD2  LYS 146           HD2      LYS 146   8.654  -2.555   4.851
  526    HD3  LYS 146           HD1      LYS 146   9.782  -3.739   5.514
  527    HE2  LYS 146           HE2      LYS 146  10.653  -2.236   7.051
  528    HE3  LYS 146           HE1      LYS 146  10.113  -0.831   6.131
  529    HZ1  LYS 146           HZ1      LYS 146   8.393  -2.694   7.678
  530    HZ2  LYS 146           HZ2      LYS 146   7.815  -1.428   6.717
  531    HZ3  LYS 146           HZ3      LYS 146   8.759  -1.092   8.079
  532    H    ARG 147           HN       ARG 147  12.053  -2.856   0.456
  533    HA   ARG 147           HA       ARG 147  14.777  -3.432  -0.100
  534    HB2  ARG 147           HB2      ARG 147  13.042  -2.903  -1.821
  535    HB3  ARG 147           HB1      ARG 147  13.070  -1.232  -1.276
  536    HG2  ARG 147           HG2      ARG 147  15.099  -0.807  -2.221
  537    HG3  ARG 147           HG1      ARG 147  15.643  -2.479  -2.070
  538    HD2  ARG 147           HD2      ARG 147  15.319  -2.187  -4.366
  539    HD3  ARG 147           HD1      ARG 147  13.863  -3.022  -3.826
  540    HE   ARG 147           HE       ARG 147  12.632  -1.163  -4.361
  541   HH11  ARG 147          HH11      ARG 147  16.020  -0.325  -4.357
  542   HH12  ARG 147          HH12      ARG 147  15.762   1.240  -5.051
  543   HH21  ARG 147          HH21      ARG 147  12.291   0.896  -5.273
  544   HH22  ARG 147          HH22      ARG 147  13.645   1.934  -5.571
  545    H    LEU 148           HN       LEU 148  16.501  -1.846  -0.326
  546    HA   LEU 148           HA       LEU 148  17.895  -0.249   0.488
  547    HB2  LEU 148           HB2      LEU 148  16.298   1.341  -0.353
  548    HB3  LEU 148           HB1      LEU 148  15.272   1.129   1.052
  549    HG   LEU 148           HG       LEU 148  17.117   2.096   2.453
  550   HD11  LEU 148          HD11      LEU 148  18.720   1.633   0.341
  551   HD12  LEU 148          HD12      LEU 148  19.070   2.819   1.598
  552   HD13  LEU 148          HD13      LEU 148  18.339   3.335   0.078
  553   HD21  LEU 148          HD21      LEU 148  15.264   3.484   1.877
  554   HD22  LEU 148          HD22      LEU 148  15.899   3.756   0.255
  555   HD23  LEU 148          HD23      LEU 148  16.733   4.434   1.653
  556    H    LEU 149           HN       LEU 149  15.293   0.306   2.836
  557    HA   LEU 149           HA       LEU 149  17.020   0.255   5.051
  558    HB2  LEU 149           HB2      LEU 149  14.363   0.905   4.588
  559    HB3  LEU 149           HB1      LEU 149  14.269  -0.457   5.688
  560    HG   LEU 149           HG       LEU 149  15.806   0.766   7.236
  561   HD11  LEU 149          HD11      LEU 149  16.984   2.372   6.167
  562   HD12  LEU 149          HD12      LEU 149  15.612   3.370   6.649
  563   HD13  LEU 149          HD13      LEU 149  15.691   2.710   5.015
  564   HD21  LEU 149          HD21      LEU 149  13.517   2.593   6.814
  565   HD22  LEU 149          HD22      LEU 149  14.059   1.768   8.276
  566   HD23  LEU 149          HD23      LEU 149  13.145   0.886   7.053
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1   8.088  13.011   4.628
    2    H2   GLY   1           HT2      GLY   1   8.293  13.170   2.957
    3    H3   GLY   1           HT3      GLY   1   8.385  11.643   3.678
    4    HA2  GLY   1           HA1      GLY   1   5.956  13.348   3.567
    5    HA3  GLY   1           HA2      GLY   1   6.267  11.965   2.530
    6    H    SER   2           HN       SER   2   7.254  10.102   4.252
    7    HA   SER   2           HA       SER   2   5.689   9.879   6.634
    8    HB2  SER   2           HB2      SER   2   4.980   7.853   4.530
    9    HB3  SER   2           HB1      SER   2   4.121   8.250   6.019
   10    HG   SER   2           HG       SER   2   4.059   9.494   3.539
   11    H    LYS   2           HN       LYS   2   5.643   7.207   7.036
   12    HA   LYS   2           HA       LYS   2   8.497   6.535   7.057
   13    HB2  LYS   2           HB2      LYS   2   6.917   4.694   8.595
   14    HB3  LYS   2           HB1      LYS   2   8.170   5.795   9.139
   15    HG2  LYS   2           HG2      LYS   2   6.384   6.473  10.402
   16    HG3  LYS   2           HG1      LYS   2   6.268   7.575   9.030
   17    HD2  LYS   2           HD2      LYS   2   4.701   5.809   8.008
   18    HD3  LYS   2           HD1      LYS   2   4.612   5.147   9.641
   19    HE2  LYS   2           HE2      LYS   2   2.989   6.613  10.045
   20    HE3  LYS   2           HE1      LYS   2   4.214   7.879   9.970
   21    HZ1  LYS   2           HZ1      LYS   2   3.147   6.977   7.421
   22    HZ2  LYS   2           HZ2      LYS   2   3.533   8.539   7.941
   23    HZ3  LYS   2           HZ3      LYS   2   2.071   7.829   8.410
   24    H    LEU   2           HN       LEU   2   8.600   5.790   4.908
   25    HA   LEU   2           HA       LEU   2   7.287   3.186   4.498
   26    HB2  LEU   2           HB2      LEU   2   7.685   5.483   2.622
   27    HB3  LEU   2           HB1      LEU   2   7.573   3.849   1.992
   28    HG   LEU   2           HG       LEU   2   5.350   3.594   2.922
   29   HD11  LEU   2          HD11      LEU   2   5.097   4.724   4.865
   30   HD12  LEU   2          HD12      LEU   2   4.404   5.936   3.788
   31   HD13  LEU   2          HD13      LEU   2   6.075   6.090   4.327
   32   HD21  LEU   2          HD21      LEU   2   4.421   4.613   1.170
   33   HD22  LEU   2          HD22      LEU   2   6.032   5.234   0.812
   34   HD23  LEU   2          HD23      LEU   2   4.896   6.212   1.742
   35    H    GLU   3           HN       GLU   3  10.068   4.202   5.426
   36    HA   GLU   3           HA       GLU   3  12.312   3.933   4.782
   37    HB2  GLU   3           HB2      GLU   3  12.645   1.308   5.021
   38    HB3  GLU   3           HB1      GLU   3  12.262   2.335   6.395
   39    HG2  GLU   3           HG2      GLU   3   9.926   1.307   4.966
   40    HG3  GLU   3           HG1      GLU   3  10.933   0.070   5.712
   41    H    GLY   4           HN       GLY   4  11.283   0.868   3.373
   42    HA2  GLY   4           HA2      GLY   4  12.634   1.676   0.887
   43    HA3  GLY   4           HA1      GLY   4  12.417   0.021   1.433
   44    H    LYS   5           HN       LYS   5  11.770   0.943  -1.154
   45    HA   LYS   5           HA       LYS   5   9.104  -0.033  -1.367
   46    HB2  LYS   5           HB2      LYS   5   8.051   1.948  -2.311
   47    HB3  LYS   5           HB1      LYS   5   8.608   2.274  -0.675
   48    HG2  LYS   5           HG2      LYS   5  10.394   2.942  -2.951
   49    HG3  LYS   5           HG1      LYS   5   9.013   3.987  -2.614
   50    HD2  LYS   5           HD2      LYS   5  10.788   3.191  -0.359
   51    HD3  LYS   5           HD1      LYS   5  11.362   4.414  -1.493
   52    HE2  LYS   5           HE2      LYS   5   8.675   5.035  -0.815
   53    HE3  LYS   5           HE1      LYS   5   9.552   4.711   0.680
   54    HZ1  LYS   5           HZ1      LYS   5  11.311   6.264  -0.324
   55    HZ2  LYS   5           HZ2      LYS   5   9.908   6.953   0.322
   56    HZ3  LYS   5           HZ3      LYS   5  10.071   6.782  -1.353
   57    H    THR   6           HN       THR   6   8.525  -0.547  -3.500
   58    HA   THR   6           HA       THR   6  10.792  -0.585  -5.342
   59    HB   THR   6           HB       THR   6   9.710  -2.718  -4.890
   60    HG1  THR   6           HG1      THR   6  10.479  -2.158  -7.064
   61   HG21  THR   6          HG21      THR   6   7.468  -3.231  -5.561
   62   HG22  THR   6          HG22      THR   6   7.221  -1.582  -6.135
   63   HG23  THR   6          HG23      THR   6   7.437  -1.893  -4.412
   64    H    CYS   7           HN       CYS   7   7.332   0.250  -5.354
   65    HA   CYS   7           HA       CYS   7   6.099   1.620  -6.689
   66    HB2  CYS   7           HB2      CYS   7   8.410   3.210  -7.616
   67    HB3  CYS   7           HB1      CYS   7   6.903   3.738  -6.877
   68    H    GLY   8           HN       GLY   8   6.631  -0.682  -7.958
   69    HA2  GLY   8           HA2      GLY   8   6.887   0.206 -10.734
   70    HA3  GLY   8           HA1      GLY   8   7.985  -1.051 -10.189
   71    HA   PRO   9           HA       PRO   9   5.065  -4.212 -11.052
   72    HB2  PRO   9           HB2      PRO   9   4.950  -5.696  -8.739
   73    HB3  PRO   9           HB1      PRO   9   6.252  -5.802  -9.927
   74    HG2  PRO   9           HG2      PRO   9   6.168  -4.320  -7.335
   75    HG3  PRO   9           HG1      PRO   9   7.503  -5.225  -8.069
   76    HD2  PRO   9           HD2      PRO   9   7.375  -2.528  -8.133
   77    HD3  PRO   9           HD1      PRO   9   8.095  -3.476  -9.452
   78    H    SER  10           HN       SER  10   4.283  -4.097  -7.610
   79    HA   SER  10           HA       SER  10   1.601  -3.101  -8.311
   80    HB2  SER  10           HB2      SER  10   2.150  -4.985  -6.020
   81    HB3  SER  10           HB1      SER  10   0.601  -4.595  -6.768
   82    HG   SER  10           HG       SER  10   1.975  -6.651  -7.323
   83    H    SER  11           HN       SER  11   2.437  -0.975  -7.840
   84    HA   SER  11           HA       SER  11   2.331  -0.402  -4.978
   85    HB2  SER  11           HB2      SER  11   4.562   0.394  -6.840
   86    HB3  SER  11           HB1      SER  11   4.242   1.261  -5.338
   87    HG   SER  11           HG       SER  11   5.541  -0.234  -4.582
   88    H    PHE  12           HN       PHE  12   2.023   1.899  -4.509
   89    HA   PHE  12           HA       PHE  12   0.737   3.369  -6.705
   90    HB2  PHE  12           HB2      PHE  12  -1.129   2.537  -5.539
   91    HB3  PHE  12           HB1      PHE  12  -0.360   2.754  -3.972
   92    HD1  PHE  12           HD1      PHE  12  -1.684   4.673  -6.869
   93    HD2  PHE  12           HD2      PHE  12  -0.832   4.629  -2.700
   94    HE1  PHE  12           HE1      PHE  12  -2.815   6.844  -6.619
   95    HE2  PHE  12           HE2      PHE  12  -1.963   6.799  -2.442
   96    HZ   PHE  12           HZ       PHE  12  -2.957   7.908  -4.402
   97    H    SER  13           HN       SER  13   1.595   5.337  -6.943
   98    HA   SER  13           HA       SER  13   3.557   6.365  -5.209
   99    HB2  SER  13           HB2      SER  13   3.741   7.126  -7.409
  100    HB3  SER  13           HB1      SER  13   2.024   7.503  -7.522
  101    HG   SER  13           HG       SER  13   4.093   9.051  -6.653
  102    H    CYS  14           HN       CYS  14   3.453   7.673  -3.470
  103    HA   CYS  14           HA       CYS  14   0.936   8.142  -2.231
  104    HB2  CYS  14           HB2      CYS  14   3.775   8.569  -1.549
  105    HB3  CYS  14           HB1      CYS  14   2.650   9.682  -0.786
  106    HA   PRO  15           HA       PRO  15   0.037  11.878  -4.573
  107    HB2  PRO  15           HB2      PRO  15  -2.089  12.066  -2.513
  108    HB3  PRO  15           HB1      PRO  15  -2.220  12.114  -4.271
  109    HG2  PRO  15           HG2      PRO  15  -2.976   9.959  -2.893
  110    HG3  PRO  15           HG1      PRO  15  -2.187   9.813  -4.474
  111    HD2  PRO  15           HD2      PRO  15  -1.057   9.379  -1.747
  112    HD3  PRO  15           HD1      PRO  15  -0.737   8.503  -3.253
  113    H    GLY  16           HN       GLY  16   0.712  13.922  -4.299
  114    HA2  GLY  16           HA2      GLY  16   1.066  15.944  -3.175
  115    HA3  GLY  16           HA1      GLY  16   0.702  15.140  -1.657
  116    H    THR  17           HN       THR  17   2.553  13.007  -1.871
  117    HA   THR  17           HA       THR  17   5.026  14.495  -1.377
  118    HB   THR  17           HB       THR  17   5.722  12.267  -0.315
  119    HG1  THR  17           HG1      THR  17   2.930  11.813  -0.344
  120   HG21  THR  17          HG21      THR  17   3.518  13.962   0.794
  121   HG22  THR  17          HG22      THR  17   5.234  13.967   1.203
  122   HG23  THR  17          HG23      THR  17   4.213  12.616   1.697
  123    H    HIS  18           HN       HIS  18   7.073  13.355  -1.908
  124    HA   HIS  18           HA       HIS  18   6.983  12.449  -4.674
  125    HB2  HIS  18           HB2      HIS  18   9.480  12.655  -4.513
  126    HB3  HIS  18           HB1      HIS  18   8.614  14.152  -4.183
  127    HD1  HIS  18           HD1      HIS  18  10.906  11.682  -2.613
  128    HD2  HIS  18           HD2      HIS  18   8.622  14.959  -1.473
  129    HE1  HIS  18           HE1      HIS  18  11.707  12.340  -0.306
  130    H    VAL  19           HN       VAL  19   6.332  10.873  -2.075
  131    HA   VAL  19           HA       VAL  19   8.190   8.640  -2.369
  132    HB   VAL  19           HB       VAL  19   7.789   9.395  -0.101
  133   HG11  VAL  19          HG11      VAL  19   5.066   8.555   0.261
  134   HG12  VAL  19          HG12      VAL  19   5.164   9.799  -0.985
  135   HG13  VAL  19          HG13      VAL  19   5.819  10.108   0.622
  136   HG21  VAL  19          HG21      VAL  19   8.025   6.922  -0.668
  137   HG22  VAL  19          HG22      VAL  19   6.287   6.808  -0.392
  138   HG23  VAL  19          HG23      VAL  19   7.356   7.317   0.915
  139    H    CYS  20           HN       CYS  20   7.328   6.446  -2.462
  140    HA   CYS  20           HA       CYS  20   4.709   6.295  -3.792
  141    HB2  CYS  20           HB2      CYS  20   5.957   4.166  -4.875
  142    HB3  CYS  20           HB1      CYS  20   5.927   5.756  -5.628
  143    H    VAL  21           HN       VAL  21   3.309   5.141  -2.680
  144    HA   VAL  21           HA       VAL  21   4.284   3.235  -0.692
  145    HB   VAL  21           HB       VAL  21   2.728   4.818   0.181
  146   HG11  VAL  21          HG11      VAL  21   0.934   3.993  -2.088
  147   HG12  VAL  21          HG12      VAL  21   1.624   5.585  -1.783
  148   HG13  VAL  21          HG13      VAL  21   0.390   4.938  -0.705
  149   HG21  VAL  21          HG21      VAL  21   1.009   3.385   1.090
  150   HG22  VAL  21          HG22      VAL  21   2.530   2.497   0.989
  151   HG23  VAL  21          HG23      VAL  21   1.261   2.214  -0.204
  152    HA   PRO  22           HA       PRO  22   3.437  -0.133  -3.525
  153    HB2  PRO  22           HB2      PRO  22   3.570  -1.711  -1.024
  154    HB3  PRO  22           HB1      PRO  22   4.473  -1.907  -2.529
  155    HG2  PRO  22           HG2      PRO  22   5.634  -0.912  -0.336
  156    HG3  PRO  22           HG1      PRO  22   6.039  -0.309  -1.952
  157    HD2  PRO  22           HD2      PRO  22   4.320   0.921   0.154
  158    HD3  PRO  22           HD1      PRO  22   5.442   1.695  -0.980
  159    H    GLU  23           HN       GLU  23   1.826  -1.843  -3.747
  160    HA   GLU  23           HA       GLU  23  -0.764  -0.993  -3.093
  161    HB2  GLU  23           HB2      GLU  23   0.350  -2.907  -4.761
  162    HB3  GLU  23           HB1      GLU  23  -0.581  -3.856  -3.612
  163    HG2  GLU  23           HG2      GLU  23  -2.572  -2.574  -4.134
  164    HG3  GLU  23           HG1      GLU  23  -1.647  -1.562  -5.243
  165    H    ARG  24           HN       ARG  24   1.158  -3.674  -1.723
  166    HA   ARG  24           HA       ARG  24  -0.711  -4.573   0.125
  167    HB2  ARG  24           HB2      ARG  24   1.092  -5.990   0.001
  168    HB3  ARG  24           HB1      ARG  24   2.254  -4.682  -0.098
  169    HG2  ARG  24           HG2      ARG  24   2.619  -5.828   1.949
  170    HG3  ARG  24           HG1      ARG  24   1.892  -4.272   2.341
  171    HD2  ARG  24           HD2      ARG  24  -0.137  -5.223   2.922
  172    HD3  ARG  24           HD1      ARG  24   0.166  -6.686   1.990
  173    HE   ARG  24           HE       ARG  24   2.025  -6.957   3.819
  174   HH11  ARG  24          HH11      ARG  24  -1.258  -5.841   4.260
  175   HH12  ARG  24          HH12      ARG  24  -1.368  -6.429   5.883
  176   HH21  ARG  24          HH21      ARG  24   1.874  -7.725   5.954
  177   HH22  ARG  24          HH22      ARG  24   0.407  -7.495   6.845
  178    H    TRP  25           HN       TRP  25   1.172  -1.679   0.106
  179    HA   TRP  25           HA       TRP  25   0.706  -1.168   2.930
  180    HB2  TRP  25           HB2      TRP  25   2.053   0.590   0.874
  181    HB3  TRP  25           HB1      TRP  25   2.094   0.800   2.620
  182    HD1  TRP  25           HD1      TRP  25   2.601  -2.755   1.422
  183    HE1  TRP  25           HE1      TRP  25   5.067  -3.409   1.697
  184    HE3  TRP  25           HE3      TRP  25   4.534   1.841   2.537
  185    HZ2  TRP  25           HZ2      TRP  25   7.514  -2.149   2.299
  186    HZ3  TRP  25           HZ3      TRP  25   6.953   2.030   2.946
  187    HH2  TRP  25           HH2      TRP  25   8.411   0.077   2.832
  188    H    LEU  26           HN       LEU  26  -1.388  -1.149   0.608
  189    HA   LEU  26           HA       LEU  26  -2.368   1.572   0.751
  190    HB2  LEU  26           HB2      LEU  26  -3.022  -0.853  -0.799
  191    HB3  LEU  26           HB1      LEU  26  -4.369   0.198  -0.445
  192    HG   LEU  26           HG       LEU  26  -3.506   1.957  -1.708
  193   HD11  LEU  26          HD11      LEU  26  -1.361   2.467  -1.373
  194   HD12  LEU  26          HD12      LEU  26  -1.012   1.337  -2.681
  195   HD13  LEU  26          HD13      LEU  26  -0.931   0.798  -1.004
  196   HD21  LEU  26          HD21      LEU  26  -2.791   0.891  -3.879
  197   HD22  LEU  26          HD22      LEU  26  -4.310   0.309  -3.197
  198   HD23  LEU  26          HD23      LEU  26  -2.843  -0.657  -3.035
  199    H    CYS  27           HN       CYS  27  -3.941  -1.564   1.343
  200    HA   CYS  27           HA       CYS  27  -5.498  -0.291   3.489
  201    HB2  CYS  27           HB2      CYS  27  -6.229  -2.970   2.391
  202    HB3  CYS  27           HB1      CYS  27  -7.268  -1.701   3.024
  203    H    ASP  28           HN       ASP  28  -2.830  -1.128   3.990
  204    HA   ASP  28           HA       ASP  28  -2.772  -3.702   5.185
  205    HB2  ASP  28           HB2      ASP  28  -0.577  -3.288   5.204
  206    HB3  ASP  28           HB1      ASP  28  -0.903  -1.669   4.605
  207    H    GLY  29           HN       GLY  29  -4.043  -0.695   6.194
  208    HA2  GLY  29           HA2      GLY  29  -5.581  -0.805   8.098
  209    HA3  GLY  29           HA1      GLY  29  -4.370  -1.770   8.923
  210    H    ASP  30           HN       ASP  30  -3.188   0.863   7.076
  211    HA   ASP  30           HA       ASP  30  -3.335   2.813   9.185
  212    HB2  ASP  30           HB2      ASP  30  -0.731   1.420   8.555
  213    HB3  ASP  30           HB1      ASP  30  -0.804   2.994   9.340
  214    H    LYS  31           HN       LYS  31  -2.368   4.870   8.552
  215    HA   LYS  31           HA       LYS  31  -2.592   5.253   5.683
  216    HB2  LYS  31           HB2      LYS  31  -2.343   7.173   7.993
  217    HB3  LYS  31           HB1      LYS  31  -2.374   7.694   6.316
  218    HG2  LYS  31           HG2      LYS  31  -4.581   6.606   6.063
  219    HG3  LYS  31           HG1      LYS  31  -4.551   6.226   7.786
  220    HD2  LYS  31           HD2      LYS  31  -4.852   8.413   8.413
  221    HD3  LYS  31           HD1      LYS  31  -4.108   9.048   6.945
  222    HE2  LYS  31           HE2      LYS  31  -6.259   9.525   6.428
  223    HE3  LYS  31           HE1      LYS  31  -6.243   7.855   5.864
  224    HZ1  LYS  31           HZ1      LYS  31  -7.164   8.757   8.540
  225    HZ2  LYS  31           HZ2      LYS  31  -7.174   7.162   7.977
  226    HZ3  LYS  31           HZ3      LYS  31  -8.171   8.320   7.252
  227    H    ASP  32           HN       ASP  32  -0.678   4.236   4.998
  228    HA   ASP  32           HA       ASP  32   1.898   4.824   5.921
  229    HB2  ASP  32           HB2      ASP  32   0.770   3.629   3.435
  230    HB3  ASP  32           HB1      ASP  32   2.454   4.141   3.411
  231    H    CYS  33           HN       CYS  33  -0.028   6.284   3.322
  232    HA   CYS  33           HA       CYS  33   1.998   8.067   2.453
  233    HB2  CYS  33           HB2      CYS  33  -0.981   7.953   2.089
  234    HB3  CYS  33           HB1      CYS  33  -0.078   9.357   1.543
  235    H    ALA  34           HN       ALA  34   1.213  10.554   2.429
  236    HA   ALA  34           HA       ALA  34   1.628  11.445   5.101
  237    HB1  ALA  34           HB1      ALA  34   1.944  13.534   4.202
  238    HB2  ALA  34           HB2      ALA  34   0.736  13.291   2.940
  239    HB3  ALA  34           HB3      ALA  34   2.312  12.510   2.814
  240    H    ASP  35           HN       ASP  35  -1.164  11.240   2.972
  241    HA   ASP  35           HA       ASP  35  -2.849  12.151   5.212
  242    HB2  ASP  35           HB2      ASP  35  -2.588  13.435   2.795
  243    HB3  ASP  35           HB1      ASP  35  -4.026  12.450   2.544
  244    H    GLY  36           HN       GLY  36  -2.040   9.425   4.593
  245    HA2  GLY  36           HA2      GLY  36  -3.009   7.339   4.547
  246    HA3  GLY  36           HA1      GLY  36  -4.532   8.147   4.877
  247    H    ALA  37           HN       ALA  37  -2.753   9.034   2.046
  248    HA   ALA  37           HA       ALA  37  -4.855   8.548   0.287
  249    HB1  ALA  37           HB1      ALA  37  -2.848   8.514  -1.428
  250    HB2  ALA  37           HB2      ALA  37  -1.951   9.080  -0.018
  251    HB3  ALA  37           HB3      ALA  37  -3.339   9.996  -0.607
  252    H    ASP  38           HN       ASP  38  -2.206   6.489   1.322
  253    HA   ASP  38           HA       ASP  38  -2.445   4.448  -0.583
  254    HB2  ASP  38           HB2      ASP  38  -1.271   3.038   1.025
  255    HB3  ASP  38           HB1      ASP  38  -0.560   4.644   1.010
  256    H    GLU  39           HN       GLU  39  -4.094   5.004   2.480
  257    HA   GLU  39           HA       GLU  39  -5.642   2.578   2.281
  258    HB2  GLU  39           HB2      GLU  39  -5.941   4.922   4.165
  259    HB3  GLU  39           HB1      GLU  39  -6.744   3.366   4.323
  260    HG2  GLU  39           HG2      GLU  39  -3.778   3.424   4.185
  261    HG3  GLU  39           HG1      GLU  39  -4.567   3.939   5.674
  262    H    SER  40           HN       SER  40  -5.867   5.785   1.141
  263    HA   SER  40           HA       SER  40  -8.717   5.948   0.958
  264    HB2  SER  40           HB2      SER  40  -6.470   7.532  -0.285
  265    HB3  SER  40           HB1      SER  40  -8.167   7.863  -0.634
  266    HG   SER  40           HG       SER  40  -6.971   7.880   1.942
  267    H    ILE  41           HN       ILE  41  -9.719   6.351  -1.255
  268    HA   ILE  41           HA       ILE  41  -9.444   3.967  -2.777
  269    HB   ILE  41           HB       ILE  41 -11.576   5.235  -2.461
  270   HG12  ILE  41          HG12      ILE  41 -12.240   4.974  -4.939
  271   HG13  ILE  41          HG11      ILE  41 -10.582   4.439  -5.176
  272   HG21  ILE  41          HG21      ILE  41 -12.058   7.141  -3.856
  273   HG22  ILE  41          HG22      ILE  41 -10.443   7.068  -4.561
  274   HG23  ILE  41          HG23      ILE  41 -10.643   7.477  -2.856
  275   HD11  ILE  41          HD11      ILE  41 -12.526   2.736  -4.709
  276   HD12  ILE  41          HD12      ILE  41 -12.176   3.152  -3.031
  277   HD13  ILE  41          HD13      ILE  41 -10.907   2.484  -4.057
  278    H    ALA  42           HN       ALA  42  -8.158   7.177  -3.020
  279    HA   ALA  42           HA       ALA  42  -7.527   7.482  -5.664
  280    HB1  ALA  42           HB1      ALA  42  -6.640   8.563  -3.184
  281    HB2  ALA  42           HB2      ALA  42  -6.550   9.276  -4.795
  282    HB3  ALA  42           HB3      ALA  42  -5.232   8.265  -4.203
  283    H    ALA  43           HN       ALA  43  -6.159   5.267  -3.367
  284    HA   ALA  43           HA       ALA  43  -4.013   4.486  -5.182
  285    HB1  ALA  43           HB1      ALA  43  -4.625   3.333  -2.474
  286    HB2  ALA  43           HB2      ALA  43  -3.664   4.794  -2.703
  287    HB3  ALA  43           HB3      ALA  43  -3.106   3.258  -3.368
  288    H    GLY  44           HN       GLY  44  -7.115   3.410  -4.044
  289    HA2  GLY  44           HA2      GLY  44  -8.375   1.867  -5.413
  290    HA3  GLY  44           HA1      GLY  44  -6.866   1.045  -5.787
  291    H    CYS  45           HN       CYS  45  -8.145   2.116  -2.663
  292    HA   CYS  45           HA       CYS  45  -7.587  -0.478  -1.532
  293    HB2  CYS  45           HB2      CYS  45  -7.922   2.196  -0.552
  294    HB3  CYS  45           HB1      CYS  45  -9.003   1.122   0.330
  295    H    LEU  46           HN       LEU  46 -10.080   0.556  -3.350
  296    HA   LEU  46           HA       LEU  46 -12.148  -0.281  -3.786
  297    HB2  LEU  46           HB2      LEU  46 -11.795  -2.233  -1.528
  298    HB3  LEU  46           HB1      LEU  46 -12.814  -2.388  -2.942
  299    HG   LEU  46           HG       LEU  46 -11.168  -3.778  -3.612
  300   HD11  LEU  46          HD11      LEU  46  -9.524  -1.366  -4.243
  301   HD12  LEU  46          HD12      LEU  46 -11.080  -1.625  -5.030
  302   HD13  LEU  46          HD13      LEU  46  -9.794  -2.819  -5.203
  303   HD21  LEU  46          HD21      LEU  46  -8.822  -2.406  -2.490
  304   HD22  LEU  46          HD22      LEU  46  -9.242  -4.119  -2.506
  305   HD23  LEU  46          HD23      LEU  46  -9.972  -3.045  -1.315
  306    H    TYR  47           HN       TYR  47 -11.605   1.771  -1.692
  307    HA   TYR  47           HA       TYR  47 -14.256   2.175  -0.850
  308    HB2  TYR  47           HB2      TYR  47 -13.938   1.925   1.603
  309    HB3  TYR  47           HB1      TYR  47 -13.856   0.397   0.736
  310    HD1  TYR  47           HD1      TYR  47 -11.660   3.081   2.105
  311    HD2  TYR  47           HD2      TYR  47 -12.069  -1.032   1.102
  312    HE1  TYR  47           HE1      TYR  47  -9.472   2.620   3.130
  313    HE2  TYR  47           HE2      TYR  47  -9.883  -1.507   2.121
  314    HH   TYR  47           HH       TYR  47  -7.762   1.044   3.201
  315    H    ASN  48           HN       ASN  48 -14.111   3.834   1.204
  316    HA   ASN  48           HA       ASN  48 -13.181   5.760   2.110
  317    HB2  ASN  48           HB2      ASN  48 -10.903   5.007   1.285
  318    HB3  ASN  48           HB1      ASN  48 -11.252   5.877  -0.205
  319   HD21  ASN  48          HD21      ASN  48 -10.991   6.270   3.287
  320   HD22  ASN  48          HD22      ASN  48 -10.484   7.921   3.241
  321    H    SER  49           HN       SER  49 -13.445   5.537  -1.418
  322    HA   SER  49           HA       SER  49 -14.179   8.211  -1.873
  323    HB2  SER  49           HB2      SER  49 -13.670   6.044  -3.471
  324    HB3  SER  49           HB1      SER  49 -15.411   6.236  -3.674
  325    HG   SER  49           HG       SER  49 -15.088   8.029  -4.738
  326    H    THR  50           HN       THR  50 -15.979   5.439  -0.789
  327    HA   THR  50           HA       THR  50 -18.476   6.990  -0.899
  328    HB   THR  50           HB       THR  50 -19.682   4.971  -0.947
  329    HG1  THR  50           HG1      THR  50 -19.043   3.354   0.194
  330   HG21  THR  50          HG21      THR  50 -17.296   3.967  -2.414
  331   HG22  THR  50          HG22      THR  50 -18.132   5.410  -2.990
  332   HG23  THR  50          HG23      THR  50 -19.004   3.884  -2.844
  333    H    GLY  51           HN       GLY  51 -19.928   5.573   1.003
  334    HA2  GLY  51           HA2      GLY  51 -18.652   6.563   3.451
  335    HA3  GLY  51           HA1      GLY  51 -20.366   6.236   3.242
  336    H    SER  52           HN       SER  52 -17.373   4.335   2.832
  337    HA   SER  52           HA       SER  52 -18.457   2.378   4.736
  338    HB2  SER  52           HB2      SER  52 -17.672   0.537   3.291
  339    HB3  SER  52           HB1      SER  52 -18.900   1.516   2.489
  340    HG   SER  52           HG       SER  52 -17.447   2.241   1.106
  341    H    GLY  53           HN       GLY  53 -15.536   2.355   2.718
  342    HA2  GLY  53           HA2      GLY  53 -13.349   2.947   3.466
  343    HA3  GLY  53           HA1      GLY  53 -13.905   2.781   5.124
  344    H    SER  54           HN       SER  54 -12.178   1.426   5.668
  345    HA   SER  54           HA       SER  54 -11.428  -0.888   4.270
  346    HB2  SER  54           HB2      SER  54 -10.339  -1.571   6.387
  347    HB3  SER  54           HB1      SER  54  -9.993   0.108   5.975
  348    HG   SER  54           HG       SER  54 -12.097  -0.636   7.715
  349    H    GLY  55           HN       GLY  55 -13.402  -1.895   3.667
  350    HA2  GLY  55           HA2      GLY  55 -14.143  -4.076   5.233
  351    HA3  GLY  55           HA1      GLY  55 -15.326  -2.809   5.529
  352    H    SER  56           HN       SER  56 -13.647  -3.470   2.495
  353    HA   SER  56           HA       SER  56 -16.203  -3.647   1.139
  354    HB2  SER  56           HB2      SER  56 -14.111  -2.387   0.299
  355    HB3  SER  56           HB1      SER  56 -13.516  -3.977  -0.177
  356    HG   SER  56           HG       SER  56 -15.013  -2.488  -1.611
  357    H    GLY  57           HN       GLY  57 -14.595  -5.839   2.857
  358    HA2  GLY  57           HA2      GLY  57 -15.349  -8.124   2.835
  359    HA3  GLY  57           HA1      GLY  57 -15.442  -8.031   1.083
  360    H    SER 129           HN       SER 129 -14.219 -10.094   1.340
  361    HA   SER 129           HA       SER 129 -11.618 -10.237   2.328
  362    HB2  SER 129           HB2      SER 129 -12.180 -11.813  -0.114
  363    HB3  SER 129           HB1      SER 129 -11.593 -12.342   1.462
  364    HG   SER 129           HG       SER 129 -13.804 -11.954   2.205
  365    H    THR 130           HN       THR 130 -12.823  -8.713  -0.518
  366    HA   THR 130           HA       THR 130 -10.587  -8.786  -2.179
  367    HB   THR 130           HB       THR 130 -12.108  -6.254  -2.138
  368    HG1  THR 130           HG1      THR 130 -13.363  -8.752  -2.612
  369   HG21  THR 130          HG21      THR 130 -11.049  -8.151  -4.121
  370   HG22  THR 130          HG22      THR 130 -11.115  -6.388  -4.147
  371   HG23  THR 130          HG23      THR 130 -12.552  -7.331  -4.546
  372    H    GLU 131           HN       GLU 131 -11.396  -6.577   0.461
  373    HA   GLU 131           HA       GLU 131  -9.361  -4.709   0.096
  374    HB2  GLU 131           HB2      GLU 131 -11.121  -4.224   1.636
  375    HB3  GLU 131           HB1      GLU 131 -10.767  -5.655   2.593
  376    HG2  GLU 131           HG2      GLU 131  -8.549  -3.749   2.336
  377    HG3  GLU 131           HG1      GLU 131  -9.961  -3.153   3.210
  378    H    GLU 132           HN       GLU 132  -9.328  -7.803   1.803
  379    HA   GLU 132           HA       GLU 132  -6.539  -7.424   2.552
  380    HB2  GLU 132           HB2      GLU 132  -7.940 -10.000   3.059
  381    HB3  GLU 132           HB1      GLU 132  -6.811  -9.116   4.077
  382    HG2  GLU 132           HG2      GLU 132  -8.855  -7.403   4.134
  383    HG3  GLU 132           HG1      GLU 132  -9.748  -8.897   3.857
  384    H    LEU 133           HN       LEU 133  -8.427  -9.043   0.159
  385    HA   LEU 133           HA       LEU 133  -6.761 -11.138  -0.576
  386    HB2  LEU 133           HB2      LEU 133  -8.965  -9.646  -1.741
  387    HB3  LEU 133           HB1      LEU 133  -7.840 -10.208  -2.956
  388    HG   LEU 133           HG       LEU 133  -8.288 -12.449  -2.532
  389   HD11  LEU 133          HD11      LEU 133  -9.894 -12.769  -0.335
  390   HD12  LEU 133          HD12      LEU 133  -8.762 -11.525   0.196
  391   HD13  LEU 133          HD13      LEU 133  -8.158 -13.074  -0.390
  392   HD21  LEU 133          HD21      LEU 133 -10.452 -12.571  -3.127
  393   HD22  LEU 133          HD22      LEU 133 -10.353 -10.810  -3.143
  394   HD23  LEU 133          HD23      LEU 133 -10.998 -11.645  -1.729
  395    H    ARG 134           HN       ARG 134  -7.000  -8.072  -2.382
  396    HA   ARG 134           HA       ARG 134  -4.690  -8.423  -3.885
  397    HB2  ARG 134           HB2      ARG 134  -4.783  -5.985  -4.283
  398    HB3  ARG 134           HB1      ARG 134  -6.348  -6.762  -4.477
  399    HG2  ARG 134           HG2      ARG 134  -6.952  -6.014  -2.197
  400    HG3  ARG 134           HG1      ARG 134  -5.417  -5.147  -2.113
  401    HD2  ARG 134           HD2      ARG 134  -7.318  -3.701  -2.748
  402    HD3  ARG 134           HD1      ARG 134  -6.049  -3.750  -3.967
  403    HE   ARG 134           HE       ARG 134  -8.721  -4.906  -4.177
  404   HH11  ARG 134          HH11      ARG 134  -5.573  -4.417  -5.617
  405   HH12  ARG 134          HH12      ARG 134  -6.107  -4.826  -7.211
  406   HH21  ARG 134          HH21      ARG 134  -9.414  -5.446  -6.272
  407   HH22  ARG 134          HH22      ARG 134  -8.284  -5.410  -7.583
  408    H    VAL 135           HN       VAL 135  -5.106  -6.871  -0.736
  409    HA   VAL 135           HA       VAL 135  -2.458  -5.889  -0.535
  410    HB   VAL 135           HB       VAL 135  -4.451  -6.516   1.645
  411   HG11  VAL 135          HG11      VAL 135  -2.749  -6.186   3.048
  412   HG12  VAL 135          HG12      VAL 135  -2.793  -4.497   2.542
  413   HG13  VAL 135          HG13      VAL 135  -1.689  -5.625   1.756
  414   HG21  VAL 135          HG21      VAL 135  -4.742  -4.012   1.601
  415   HG22  VAL 135          HG22      VAL 135  -5.365  -4.876   0.195
  416   HG23  VAL 135          HG23      VAL 135  -3.829  -4.015   0.092
  417    H    ARG 136           HN       ARG 136  -4.008  -8.845   0.683
  418    HA   ARG 136           HA       ARG 136  -1.757  -9.830   2.068
  419    HB2  ARG 136           HB2      ARG 136  -4.213 -11.166   0.949
  420    HB3  ARG 136           HB1      ARG 136  -2.966 -12.070   1.795
  421    HG2  ARG 136           HG2      ARG 136  -3.436 -11.078   3.826
  422    HG3  ARG 136           HG1      ARG 136  -4.205  -9.676   3.078
  423    HD2  ARG 136           HD2      ARG 136  -5.924 -11.013   4.057
  424    HD3  ARG 136           HD1      ARG 136  -6.036 -11.191   2.307
  425    HE   ARG 136           HE       ARG 136  -4.470 -13.275   3.080
  426   HH11  ARG 136          HH11      ARG 136  -7.634 -12.138   4.016
  427   HH12  ARG 136          HH12      ARG 136  -8.224 -13.719   4.405
  428   HH21  ARG 136          HH21      ARG 136  -5.244 -15.354   3.593
  429   HH22  ARG 136          HH22      ARG 136  -6.867 -15.545   4.166
  430    H    LEU 137           HN       LEU 137  -2.929 -10.377  -1.230
  431    HA   LEU 137           HA       LEU 137  -1.083 -12.353  -1.959
  432    HB2  LEU 137           HB2      LEU 137  -3.075 -11.875  -3.268
  433    HB3  LEU 137           HB1      LEU 137  -2.466 -10.279  -3.659
  434    HG   LEU 137           HG       LEU 137  -2.295 -12.097  -5.453
  435   HD11  LEU 137          HD11      LEU 137  -0.668 -10.891  -6.435
  436   HD12  LEU 137          HD12      LEU 137   0.415 -11.017  -5.049
  437   HD13  LEU 137          HD13      LEU 137  -0.898  -9.840  -5.038
  438   HD21  LEU 137          HD21      LEU 137   0.247 -12.899  -4.128
  439   HD22  LEU 137          HD22      LEU 137  -0.738 -13.768  -5.305
  440   HD23  LEU 137          HD23      LEU 137  -1.256 -13.671  -3.622
  441    H    ALA 138           HN       ALA 138  -0.906  -8.822  -2.237
  442    HA   ALA 138           HA       ALA 138   1.619  -8.815  -3.556
  443    HB1  ALA 138           HB1      ALA 138   1.521  -6.340  -2.626
  444    HB2  ALA 138           HB2      ALA 138  -0.170  -6.772  -2.369
  445    HB3  ALA 138           HB3      ALA 138   0.530  -6.870  -3.986
  446    H    SER 139           HN       SER 139   0.660  -9.075  -0.255
  447    HA   SER 139           HA       SER 139   2.929  -8.003   1.009
  448    HB2  SER 139           HB2      SER 139   1.074  -8.377   2.393
  449    HB3  SER 139           HB1      SER 139   0.872 -10.036   1.836
  450    HG   SER 139           HG       SER 139   1.906  -9.608   3.993
  451    H    HIS 140           HN       HIS 140   2.587 -10.827  -0.861
  452    HA   HIS 140           HA       HIS 140   4.461 -12.510   0.397
  453    HB2  HIS 140           HB2      HIS 140   4.481 -13.757  -1.692
  454    HB3  HIS 140           HB1      HIS 140   2.835 -13.308  -1.264
  455    HD1  HIS 140           HD1      HIS 140   3.599 -10.252  -2.481
  456    HD2  HIS 140           HD2      HIS 140   3.501 -13.954  -4.356
  457    HE1  HIS 140           HE1      HIS 140   3.306  -9.789  -4.947
  458    H    LEU 141           HN       LEU 141   4.935  -9.620  -1.352
  459    HA   LEU 141           HA       LEU 141   7.809 -10.188  -1.453
  460    HB2  LEU 141           HB2      LEU 141   7.038 -10.553  -3.698
  461    HB3  LEU 141           HB1      LEU 141   6.160  -9.036  -3.693
  462    HG   LEU 141           HG       LEU 141   8.813  -8.336  -3.131
  463   HD11  LEU 141          HD11      LEU 141  10.166  -9.360  -4.759
  464   HD12  LEU 141          HD12      LEU 141   8.787 -10.150  -5.524
  465   HD13  LEU 141          HD13      LEU 141   9.333 -10.676  -3.931
  466   HD21  LEU 141          HD21      LEU 141   8.659  -7.537  -5.593
  467   HD22  LEU 141          HD22      LEU 141   7.561  -6.858  -4.390
  468   HD23  LEU 141          HD23      LEU 141   6.995  -8.114  -5.493
  469    H    ARG 142           HN       ARG 142   5.309  -7.673  -1.742
  470    HA   ARG 142           HA       ARG 142   6.705  -5.379  -1.617
  471    HB2  ARG 142           HB2      ARG 142   4.069  -6.192  -0.972
  472    HB3  ARG 142           HB1      ARG 142   4.615  -5.135   0.321
  473    HG2  ARG 142           HG2      ARG 142   3.423  -4.011  -1.563
  474    HG3  ARG 142           HG1      ARG 142   5.014  -3.354  -1.179
  475    HD2  ARG 142           HD2      ARG 142   4.426  -3.690  -3.646
  476    HD3  ARG 142           HD1      ARG 142   5.986  -4.290  -3.085
  477    HE   ARG 142           HE       ARG 142   3.961  -6.293  -2.951
  478   HH11  ARG 142          HH11      ARG 142   6.143  -4.670  -5.137
  479   HH12  ARG 142          HH12      ARG 142   6.217  -5.998  -6.246
  480   HH21  ARG 142          HH21      ARG 142   4.059  -8.039  -4.405
  481   HH22  ARG 142          HH22      ARG 142   5.033  -7.911  -5.831
  482    H    LYS 143           HN       LYS 143   5.388  -6.572   1.462
  483    HA   LYS 143           HA       LYS 143   7.275  -5.136   2.999
  484    HB2  LYS 143           HB2      LYS 143   5.507  -7.455   3.795
  485    HB3  LYS 143           HB1      LYS 143   6.370  -6.407   4.913
  486    HG2  LYS 143           HG2      LYS 143   4.302  -5.434   2.959
  487    HG3  LYS 143           HG1      LYS 143   3.956  -5.868   4.634
  488    HD2  LYS 143           HD2      LYS 143   5.753  -4.186   5.278
  489    HD3  LYS 143           HD1      LYS 143   5.687  -3.632   3.605
  490    HE2  LYS 143           HE2      LYS 143   3.991  -2.312   4.177
  491    HE3  LYS 143           HE1      LYS 143   3.025  -3.761   4.457
  492    HZ1  LYS 143           HZ1      LYS 143   4.810  -2.987   6.615
  493    HZ2  LYS 143           HZ2      LYS 143   3.223  -3.570   6.677
  494    HZ3  LYS 143           HZ3      LYS 143   3.512  -1.940   6.327
  495    H    LEU 144           HN       LEU 144   7.544  -8.069   1.314
  496    HA   LEU 144           HA       LEU 144   9.762  -8.967   3.011
  497    HB2  LEU 144           HB2      LEU 144   7.967 -10.350   1.057
  498    HB3  LEU 144           HB1      LEU 144   9.548 -11.024   1.410
  499    HG   LEU 144           HG       LEU 144   7.661 -10.369   3.644
  500   HD11  LEU 144          HD11      LEU 144   7.683 -12.928   2.050
  501   HD12  LEU 144          HD12      LEU 144   6.386 -11.733   2.068
  502   HD13  LEU 144          HD13      LEU 144   6.776 -12.634   3.533
  503   HD21  LEU 144          HD21      LEU 144   8.882 -12.283   4.681
  504   HD22  LEU 144          HD22      LEU 144   9.899 -10.894   4.301
  505   HD23  LEU 144          HD23      LEU 144   9.927 -12.318   3.260
  506    H    ARG 145           HN       ARG 145   9.795  -6.745   0.954
  507    HA   ARG 145           HA       ARG 145  12.280  -7.551  -0.289
  508    HB2  ARG 145           HB2      ARG 145  10.614  -8.310  -1.924
  509    HB3  ARG 145           HB1      ARG 145   9.933  -6.691  -1.987
  510    HG2  ARG 145           HG2      ARG 145  11.521  -7.408  -3.857
  511    HG3  ARG 145           HG1      ARG 145  11.768  -5.827  -3.120
  512    HD2  ARG 145           HD2      ARG 145  13.515  -6.809  -1.674
  513    HD3  ARG 145           HD1      ARG 145  13.299  -8.352  -2.502
  514    HE   ARG 145           HE       ARG 145  14.792  -6.113  -3.428
  515   HH11  ARG 145          HH11      ARG 145  12.808  -8.773  -4.511
  516   HH12  ARG 145          HH12      ARG 145  13.536  -8.840  -6.080
  517   HH21  ARG 145          HH21      ARG 145  15.750  -6.201  -5.493
  518   HH22  ARG 145          HH22      ARG 145  15.206  -7.381  -6.638
  519    H    LYS 146           HN       LYS 146   9.777  -5.030  -0.151
  520    HA   LYS 146           HA       LYS 146   9.925  -2.746  -0.241
  521    HB2  LYS 146           HB2      LYS 146  12.275  -2.549   1.470
  522    HB3  LYS 146           HB1      LYS 146  10.627  -2.025   1.763
  523    HG2  LYS 146           HG2      LYS 146  10.300  -3.699   3.166
  524    HG3  LYS 146           HG1      LYS 146  10.739  -4.876   1.931
  525    HD2  LYS 146           HD2      LYS 146  12.649  -3.413   3.755
  526    HD3  LYS 146           HD1      LYS 146  12.161  -5.102   3.895
  527    HE2  LYS 146           HE2      LYS 146  13.237  -5.657   1.837
  528    HE3  LYS 146           HE1      LYS 146  13.550  -3.960   1.481
  529    HZ1  LYS 146           HZ1      LYS 146  14.781  -5.609   3.614
  530    HZ2  LYS 146           HZ2      LYS 146  14.944  -3.927   3.535
  531    HZ3  LYS 146           HZ3      LYS 146  15.550  -4.895   2.287
  532    H    ARG 147           HN       ARG 147  11.481  -4.081  -2.306
  533    HA   ARG 147           HA       ARG 147  12.907  -3.523  -3.989
  534    HB2  ARG 147           HB2      ARG 147  11.828  -1.288  -3.773
  535    HB3  ARG 147           HB1      ARG 147  13.085  -0.825  -2.634
  536    HG2  ARG 147           HG2      ARG 147  14.003  -1.853  -5.243
  537    HG3  ARG 147           HG1      ARG 147  13.189  -0.287  -5.253
  538    HD2  ARG 147           HD2      ARG 147  14.824   0.107  -3.181
  539    HD3  ARG 147           HD1      ARG 147  15.785  -1.079  -4.062
  540    HE   ARG 147           HE       ARG 147  15.266   1.649  -4.820
  541   HH11  ARG 147          HH11      ARG 147  16.172  -1.524  -5.960
  542   HH12  ARG 147          HH12      ARG 147  16.968  -0.924  -7.376
  543   HH21  ARG 147          HH21      ARG 147  16.312   2.438  -6.683
  544   HH22  ARG 147          HH22      ARG 147  17.049   1.324  -7.786
  545    H    LEU 148           HN       LEU 148  14.249  -1.649  -1.270
  546    HA   LEU 148           HA       LEU 148  16.587  -3.416  -1.264
  547    HB2  LEU 148           HB2      LEU 148  16.553  -0.738  -2.234
  548    HB3  LEU 148           HB1      LEU 148  17.475  -0.759  -0.745
  549    HG   LEU 148           HG       LEU 148  18.696  -2.792  -1.842
  550   HD11  LEU 148          HD11      LEU 148  18.769  -2.814  -4.205
  551   HD12  LEU 148          HD12      LEU 148  17.819  -1.332  -4.321
  552   HD13  LEU 148          HD13      LEU 148  17.063  -2.824  -3.761
  553   HD21  LEU 148          HD21      LEU 148  19.478  -0.318  -3.223
  554   HD22  LEU 148          HD22      LEU 148  20.411  -1.373  -2.163
  555   HD23  LEU 148          HD23      LEU 148  19.308  -0.183  -1.472
  556    H    LEU 149           HN       LEU 149  15.965  -0.343   0.396
  557    HA   LEU 149           HA       LEU 149  15.801  -1.822   2.936
  558    HB2  LEU 149           HB2      LEU 149  17.160   0.838   2.538
  559    HB3  LEU 149           HB1      LEU 149  17.114  -0.109   4.014
  560    HG   LEU 149           HG       LEU 149  18.292  -1.445   1.653
  561   HD11  LEU 149          HD11      LEU 149  19.701   0.806   3.078
  562   HD12  LEU 149          HD12      LEU 149  19.192   0.795   1.389
  563   HD13  LEU 149          HD13      LEU 149  20.443  -0.319   1.941
  564   HD21  LEU 149          HD21      LEU 149  18.092  -2.343   4.028
  565   HD22  LEU 149          HD22      LEU 149  19.367  -1.198   4.447
  566   HD23  LEU 149          HD23      LEU 149  19.673  -2.462   3.255