NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
1280 1afp cing 1-original 1 DYANA/DIANA distance general distance simple



#  This set of distance constraints from NMR data are in the DIANA
#  program format (P.GUNTERT,W.BRAUN,K.WUTHRICH, J.MOL.BIOL. (1991)     
#  V. 217, 517-530; P.GUNTERT).

  1 ALA  
         QB      3 TYR  CG      7.10
         QB      3 TYR  CZ      6.02
         QB     44 SER  HA      6.00
  2 THR  
         HN      2 THR  HB      3.30
         HN      2 THR  QG2     4.85
         HA      2 THR  HB      2.90
         HA      2 THR  QG2     3.60
         HA      3 TYR  HN      3.30
         HA      3 TYR  CG      5.93
         HA     42 PHE  CG      6.51
         HA     43 ASP  HA      2.82
         HA     44 SER  HN      3.50
         HA     44 SER  QB      5.36
         HB      3 TYR  HN      4.05
         HB     41 GLU  HB2     5.00
         HB     41 GLU  HB3     5.00
         HB     41 GLU  QB      4.68
         HB     41 GLU  QG      5.38
         HB     43 ASP  HA      5.00
         QG2     3 TYR  HA      6.00
         QG2     3 TYR  CG      7.20
         QG2     4 ASN  HD21    6.00
         QG2     4 ASN  HD22    6.00
         QG2    41 GLU  HA      5.00
         QG2    41 GLU  HB2     4.42
         QG2    41 GLU  HB3     4.42
         QG2    41 GLU  HG2     5.00
         QG2    41 GLU  HG3     5.00
         QG2    42 PHE  HN      5.15
         QG2    43 ASP  QB      6.22
         QG2    44 SER  HN      4.50
  3 TYR  
         HN      3 TYR  CZ      7.20
         HN     42 PHE  HN      4.09
         HN     42 PHE  HB2     5.00
         HN     42 PHE  HB3     5.00
         HN     42 PHE  CG      7.20
         HB2     4 ASN  HN      4.50
         HB2    16 TYR  HB2     7.75
         HB2    16 TYR  HB3     7.75
         HB2    16 TYR  CZ      7.20
         HB2    42 PHE  HN      5.00
         HB2    42 PHE  HB2     5.00
         HB2    42 PHE  HB3     5.00
         HB2    42 PHE  CG      6.59
         HB3     4 ASN  HN      4.50
         HB3    16 TYR  HB2     7.75
         HB3    16 TYR  HB3     7.75
         HB3    16 TYR  CZ      7.20
         HB3    42 PHE  HN      5.00
         HB3    42 PHE  HB2     5.00
         HB3    42 PHE  HB3     5.00
         HB3    42 PHE  CG      6.59
         QB      4 ASN  HN      3.93
         QB     16 TYR  QB      6.57
         QB     16 TYR  CG      6.38
         QB     42 PHE  HN      4.55
         QB     42 PHE  QB      4.10
         QB     42 PHE  CG      6.24
         CG      4 ASN  HN      6.70
         CG     16 TYR  CG      8.30
         CG     16 TYR  CZ      8.44
         CG     18 ALA  HA      5.85
         CG     18 ALA  QB      7.43
         CG     42 PHE  HN      7.20
         CG     42 PHE  HB2     6.31
         CG     42 PHE  HB3     6.31
         CG     42 PHE  QB      6.18
         CG     42 PHE  CZ      8.60
         CG     44 SER  HN      6.70
         CG     44 SER  QB      8.08
         CZ     18 ALA  QB      8.20
         CZ     19 GLN  HN      6.38
         CZ     19 GLN  HA      5.23
         CZ     19 GLN  HB2     6.20
         CZ     19 GLN  HB3     6.20
         CZ     19 GLN  QB      6.06
         CZ     19 GLN  QG      6.96
         CZ     44 SER  HN      6.70
         CZ     44 SER  HA      5.70
         CZ     44 SER  HB2     6.70
         CZ     44 SER  HB3     6.70
         CZ     44 SER  QB      6.16
  4 ASN  
         HN      4 ASN  HB2     3.90
         HN      4 ASN  HB3     3.90
         HN      4 ASN  QB      3.48
         HN      4 ASN  HD21    5.00
         HN      4 ASN  HD22    5.00
         HN     17 LYS  HN      5.00
         HA      5 GLY  HN      2.60
         HA     41 GLU  HA      2.92
         HA     41 GLU  HB2     5.00
         HA     41 GLU  HB3     5.00
         HA     41 GLU  QB      4.44
         HA     41 GLU  QG      5.18
         HA     42 PHE  HN      3.90
         HB2     5 GLY  HN      4.20
         HB3     5 GLY  HN      4.20
         QB      5 GLY  HN      3.83
         QB      5 GLY  QA      6.25
         QB     39 LYS  QG      4.59
  5 GLY  
         HN      6 LYS  HN      5.00
         HN     16 TYR  HB2     5.00
         HN     16 TYR  HB3     5.00
         HN     16 TYR  QB      4.68
         HN     39 LYS  QG      4.76
         HN     40 CYSS HN      3.43
         HN     41 GLU  HA      3.71
         HN     41 GLU  QB      5.88
         HA1    16 TYR  HA      3.85
         HA1    16 TYR  HB2     5.00
         HA1    16 TYR  HB3     5.00
         HA2    16 TYR  HA      3.85
         HA2    16 TYR  HB2     5.00
         HA2    16 TYR  HB3     5.00
         QA     15 LYS  HN      5.88
         QA     16 TYR  HA      3.43
         QA     16 TYR  QB      4.12
         QA     17 LYS  HN      5.38
  6 LYS  
         HN      6 LYS  HB2     4.10
         HN      6 LYS  HB3     4.10
         HN      6 LYS  QB      3.71
         HN      6 LYS  QG      4.15
         HN      6 LYS  QD      5.25
         HN      8 TYR  CZ      7.20
         HN     15 LYS  HN      3.56
         HN     15 LYS  QB      5.29
         HN     16 TYR  QB      5.88
         HA      6 LYS  QD      4.50
         HA      7 CYSS HN      2.50
         HA      7 CYSS HA      5.00
         HA     39 LYS  HA      2.92
         HA     40 CYSS HN      3.24
         HB2     7 CYSS HN      4.10
         HB2     8 TYR  CZ      6.31
         HB2    37 GLY  HN      5.00
         HB2    37 GLY  HA1     4.95
         HB2    37 GLY  HA2     4.95
         HB3     7 CYSS HN      4.10
         HB3     8 TYR  CZ      6.31
         HB3    37 GLY  HN      5.00
         HB3    37 GLY  HA1     4.95
         HB3    37 GLY  HA2     4.95
         QB      6 LYS  QD      3.72
         QB      7 CYSS HN      3.85
         QB      8 TYR  CZ      5.90
         QB     37 GLY  HN      4.60
         QB     37 GLY  QA      3.56
         HG2    37 GLY  HA1     6.25
         HG2    37 GLY  HA2     6.25
         HG3    37 GLY  HA1     6.25
         HG3    37 GLY  HA2     6.25
         QG     37 GLY  HN      6.00
         QG     37 GLY  QA      5.30
         QG     39 LYS  QG      4.62
         QD      7 CYSS HN      5.38
  7 CYSS 
         HN      7 CYSS HB2     4.00
         HN      7 CYSS HB3     4.00
         HN     15 LYS  HN      4.50
         HN     38 ALA  HN      3.79
         HN     38 ALA  QB      5.12
         HN     39 LYS  HA      4.05
         HN     40 CYSS HN      5.00
         HA      8 TYR  HN      2.80
         HA      8 TYR  CG      5.82
         HA     14 CYSS HA      3.52
         HA     14 CYSS QB      5.88
         HA     15 LYS  HN      3.58
         HA     33 CYSS QB      5.88
         HA     38 ALA  QB      6.00
         HB2     8 TYR  HN      4.15
         HB2    33 CYSS HB2     5.91
         HB2    33 CYSS HB3     5.91
         HB2    40 CYSS HB2     5.67
         HB2    40 CYSS HB3     5.67
         HB3     8 TYR  HN      4.15
         HB3    33 CYSS HB2     5.91
         HB3    33 CYSS HB3     5.91
         HB3    40 CYSS HB2     5.67
         HB3    40 CYSS HB3     5.67
         QB      8 TYR  HN      3.78
         QB     13 ILE  HA      5.32
         QB     15 LYS  HN      5.38
         QB     33 CYSS QB      4.64
         QB     37 GLY  HN      5.88
         QB     38 ALA  QB      6.33
         QB     40 CYSS QB      4.73
  8 TYR  
         HN      8 TYR  HB2     4.00
         HN      8 TYR  HB3     4.00
         HN      8 TYR  QB      3.80
         HN     13 ILE  HN      3.77
         HN     13 ILE  QG1     5.33
         HN     13 ILE  QD1     5.33
         HN     14 CYSS HA      4.50
         HA      9 LYS  HN      2.70
         HA     37 GLY  HN      4.00
         HB2    10 LYS  HN      5.00
         HB2    13 ILE  HG12    6.75
         HB2    13 ILE  HG13    6.75
         HB3    10 LYS  HN      5.00
         HB3    13 ILE  HG12    6.75
         HB3    13 ILE  HG13    6.75
         QB     10 LYS  HN      4.68
         QB     13 ILE  HN      5.38
         QB     13 ILE  QG1     5.14
         QB     36 ASP  HN      5.38
         QB     36 ASP  HA      5.24
         CG      9 LYS  HN      5.70
         CG     13 ILE  HN      6.62
         CG     13 ILE  QG2     7.70
         CG     13 ILE  HG12    7.20
         CG     13 ILE  HG13    7.20
         CG     13 ILE  QG1     6.66
         CG     13 ILE  QD1     6.54
         CG     15 LYS  HN      7.20
         CG     15 LYS  HB2     7.20
         CG     15 LYS  HB3     7.20
         CG     15 LYS  QB      6.90
         CG     15 LYS  HG2     6.70
         CG     15 LYS  HG3     6.70
         CG     15 LYS  QG      6.16
         CG     15 LYS  QE      6.47
         CG     33 CYSS HB2     6.70
         CG     33 CYSS HB3     6.70
         CG     36 ASP  QB      6.70
         CG     37 GLY  HN      6.08
         CZ     11 ASP  QB      6.30
         CZ     15 LYS  HN      6.05
         CZ     15 LYS  HB2     5.70
         CZ     15 LYS  HB3     5.70
         CZ     15 LYS  HG2     6.70
         CZ     15 LYS  HG3     6.70
         CZ     15 LYS  QG      6.16
         CZ     15 LYS  QD      6.34
         CZ     15 LYS  QE      6.91
         CZ     36 ASP  HN      7.20
         CZ     36 ASP  QB      7.20
         CZ     37 GLY  HN      6.00
  9 LYS  
         HN      9 LYS  HB2     3.50
         HN      9 LYS  HB3     3.50
         HN      9 LYS  HG2     4.00
         HN      9 LYS  HG3     4.00
         HN      9 LYS  QD      5.20
         HN     10 LYS  HN      3.55
         HN     36 ASP  HA      3.20
         HN     36 ASP  HB2     4.50
         HN     36 ASP  HB3     4.50
         HA      9 LYS  QD      4.90
         HA      9 LYS  QE      5.10
         HA     12 ASN  HN      3.92
         HA     12 ASN  HA      3.62
         HA     12 ASN  QB      4.38
         HA     33 CYSS HN      4.18
         HA     33 CYSS HB2     3.50
         HA     33 CYSS HB3     3.50
         HA     33 CYSS QB      3.06
         HB2    10 LYS  HN      3.90
         HB3    10 LYS  HN      3.90
         QB      9 LYS  QE      6.08
         QB     10 LYS  HN      3.60
         QB     35 ARG  HA      4.16
         QB     36 ASP  HN      4.99
         HG2    10 LYS  HN      5.00
         HG3    10 LYS  HN      5.00
         QG     10 LYS  HA      5.88
         QG     35 ARG  HN      5.12
         QG     35 ARG  HA      5.14
         QD     36 ASP  HN      4.67
         QE     35 ARG  HA      4.76
 10 LYS  
         HN     10 LYS  HB2     3.10
         HN     10 LYS  HB3     3.10
         HN     11 ASP  HN      3.50
         HN     12 ASN  HN      4.00
         HA     10 LYS  QB      2.69
         HA     10 LYS  HG2     3.75
         HA     10 LYS  HG3     3.75
         HA     10 LYS  QG      3.35
         HA     10 LYS  QD      5.28
         HA     10 LYS  QE      5.31
         HA     12 ASN  HN      4.40
         HB2    11 ASP  HN      3.50
         HB3    11 ASP  HN      3.50
 11 ASP  
         HN     11 ASP  HB2     4.10
         HN     11 ASP  HB3     4.10
         HN     11 ASP  QB      3.69
         HN     12 ASN  HN      3.15
         HN     12 ASN  HA      5.00
         HN     13 ILE  HN      5.00
         HN     13 ILE  QG1     5.88
         HA     12 ASN  QB      5.88
         HB2    12 ASN  HN      4.20
         HB2    13 ILE  QG2     5.50
         HB2    13 ILE  HG12    6.75
         HB2    13 ILE  HG13    6.75
         HB2    13 ILE  QD1     6.00
         HB3    12 ASN  HN      4.20
         HB3    13 ILE  QG2     5.50
         HB3    13 ILE  HG12    6.75
         HB3    13 ILE  HG13    6.75
         HB3    13 ILE  QD1     6.00
         QB     13 ILE  HN      5.15
         QB     13 ILE  QG2     4.95
         QB     13 ILE  QG1     5.25
         QB     13 ILE  QD1     5.28
 12 ASN  
         HN     12 ASN  HA      2.70
         HN     12 ASN  HB2     3.95
         HN     12 ASN  HB3     3.95
         HN     12 ASN  QB      3.70
         HN     13 ILE  HN      3.35
         HN     33 CYSS QB      5.88
         HA     13 ILE  HN      2.85
         HA     33 CYSS HN      3.50
         HA     33 CYSS QB      4.66
         HB2    33 CYSS HN      5.00
         HB3    33 CYSS HN      5.00
         QB     13 ILE  QG1     6.75
         QB     28 CYSS HN      5.88
         HD21   28 CYSS HB2     4.00
         HD21   28 CYSS HB3     4.00
         HD21   32 LYS  HA      4.00
         HD21   32 LYS  HG2     5.25
         HD21   32 LYS  HG3     5.25
         HD21   33 CYSS HN      5.00
         HD22   28 CYSS HB2     4.00
         HD22   28 CYSS HB3     4.00
         HD22   32 LYS  HA      4.00
         HD22   32 LYS  HG2     5.25
         HD22   32 LYS  HG3     5.25
         HD22   33 CYSS HN      5.00
         QD2    13 ILE  QG2     6.87
         QD2    28 CYSS HN      5.87
         QD2    28 CYSS QB      3.55
         QD2    29 TYR  HA      5.37
         QD2    32 LYS  HA      3.66
         QD2    32 LYS  QB      6.24
         QD2    32 LYS  QG      4.51
         QD2    33 CYSS HN      4.68
 13 ILE  
         HN     13 ILE  HB      3.75
         HN     13 ILE  QG2     4.30
         HN     13 ILE  HG12    4.00
         HN     13 ILE  HG13    4.00
         HN     13 ILE  QG1     3.49
         HN     13 ILE  QD1     4.85
         HN     14 CYSS HN      5.00
         HA     13 ILE  HB      2.90
         HA     13 ILE  QG2     3.70
         HA     14 CYSS HN      2.70
         HA     14 CYSS QB      5.88
         HA     25 ILE  QG2     5.17
         HA     27 LYS  HA      2.89
         HA     28 CYSS HN      3.19
         HB     14 CYSS HN      3.05
         HB     25 ILE  QG2     3.75
         HB     26 CYSS HN      4.50
         QG2    14 CYSS HN      4.37
         QG2    26 CYSS HN      6.00
         QG2    27 LYS  HN      5.50
         QG2    27 LYS  HA      3.94
         QG2    27 LYS  QG      5.48
         QG2    28 CYSS HN      4.50
         QD1    14 CYSS HN      5.29
         QD1    15 LYS  HN      6.00
         QD1    26 CYSS HN      6.00
 14 CYSS 
         HN     14 CYSS HB2     3.40
         HN     14 CYSS HB3     3.40
         HN     14 CYSS QB      3.21
         HN     25 ILE  QG2     4.92
         HN     26 CYSS HN      3.79
         HN     27 LYS  HA      3.85
         HN     28 CYSS HN      4.28
         HA     15 LYS  HN      3.40
         HB2    40 CYSS HB2     5.75
         HB2    40 CYSS HB3     5.75
         HB3    40 CYSS HB2     5.75
         HB3    40 CYSS HB3     5.75
         QB     15 LYS  HN      4.86
         QB     25 ILE  QG2     6.38
         QB     26 CYSS HN      5.28
         QB     40 CYSS QB      5.03
 15 LYS  
         HN     15 LYS  HB2     3.65
         HN     15 LYS  HB3     3.65
         HN     15 LYS  QB      3.47
         HN     15 LYS  HG2     5.00
         HN     15 LYS  HG3     5.00
         HN     15 LYS  QG      4.49
         HA     15 LYS  HG2     4.00
         HA     15 LYS  HG3     4.00
         HA     15 LYS  QG      3.70
         HA     16 TYR  HN      2.60
         HA     16 TYR  CG      5.70
         HA     23 THR  QG2     6.00
         HA     25 ILE  HA      4.00
         HA     25 ILE  QG2     4.26
         HA     25 ILE  QG1     4.94
         HB2    16 TYR  HN      5.00
         HB3    16 TYR  HN      5.00
         QB     16 TYR  HN      4.53
         QB     16 TYR  CG      8.08
         QB     25 ILE  HA      5.33
         HG2    15 LYS  HE2     4.20
         HG2    15 LYS  HE3     4.20
         HG2    16 TYR  HN      5.00
         HG3    15 LYS  HE2     4.20
         HG3    15 LYS  HE3     4.20
         HG3    16 TYR  HN      5.00
         QG     16 TYR  HN      4.65
         QG     25 ILE  QG2     6.38
         QG     25 ILE  QD1     6.38
         QE     25 ILE  QD1     5.85
 16 TYR  
         HN     16 TYR  CZ      7.20
         HN     23 THR  QG2     5.10
         HN     24 ALA  HN      5.00
         HN     24 ALA  QB      5.50
         HN     25 ILE  HA      4.00
         HN     25 ILE  QG2     6.00
         HA     16 TYR  HB2     2.90
         HA     16 TYR  HB3     2.90
         HA     17 LYS  HN      3.00
         HB2    17 LYS  HN      3.90
         HB3    17 LYS  HN      3.90
         QB     17 LYS  HN      3.55
         QB     42 PHE  CG      6.79
         CG     17 LYS  HN      5.70
         CG     18 ALA  HN      6.70
         CG     18 ALA  HA      5.57
         CG     18 ALA  QB      7.14
         CG     24 ALA  QB      7.11
         CG     26 CYSS HN      7.20
         CG     42 PHE  HB2     6.49
         CG     42 PHE  HB3     6.49
         CG     42 PHE  QB      6.37
         CZ     17 LYS  HN      6.70
         CZ     18 ALA  HA      5.16
         CZ     18 ALA  QB      6.12
         CZ     24 ALA  HA      7.20
         CZ     25 ILE  HA      6.54
         CZ     26 CYSS HN      6.45
         CZ     26 CYSS HA      6.50
         CZ     26 CYSS HB2     5.58
         CZ     26 CYSS HB3     5.58
         CZ     42 PHE  HB2     6.70
         CZ     42 PHE  HB3     6.70
         CZ     42 PHE  QB      6.51
         CZ     42 PHE  CG      7.85
         CZ     42 PHE  CZ      8.80
 17 LYS  
         HN     17 LYS  HB2     3.80
         HN     17 LYS  HB3     3.80
         HN     17 LYS  QB      3.55
         HN     17 LYS  HG2     5.00
         HN     17 LYS  HG3     5.00
         HN     17 LYS  QG      4.68
         HN     23 THR  QG2     6.00
         HA     17 LYS  HG2     4.20
         HA     17 LYS  HG3     4.20
         HA     17 LYS  QG      3.96
         HA     17 LYS  QE      4.90
         HA     18 ALA  HN      3.50
         HB2    21 GLY  HA1     6.75
         HB2    21 GLY  HA2     6.75
         HB3    21 GLY  HA1     6.75
         HB3    21 GLY  HA2     6.75
         QB     17 LYS  QE      4.83
         QB     21 GLY  QA      5.81
         HG2    21 GLY  HA1     6.25
         HG2    21 GLY  HA2     6.25
         HG3    21 GLY  HA1     6.25
         HG3    21 GLY  HA2     6.25
         QG     21 GLY  QA      5.30
         QD     21 GLY  QA      5.88
 18 ALA  
         HN     23 THR  QG2     6.00
         HA     19 GLN  HN      3.50
         QB     19 GLN  HN      4.35
         QB     20 SER  HN      4.38
         QB     21 GLY  HN      4.50
         QB     22 LYS  HN      4.50
         QB     23 THR  HA      5.07
         QB     24 ALA  QB      6.50
 19 GLN  
         HN     19 GLN  HB2     3.40
         HN     19 GLN  HB3     3.40
         HN     19 GLN  QB      3.21
         HN     19 GLN  QG      4.90
         HN     20 SER  HN      3.60
         HA     19 GLN  HB2     3.00
         HA     19 GLN  HB3     3.00
         HA     19 GLN  QG      3.80
         HA     20 SER  HN      3.55
         HB2    20 SER  HN      4.10
         HB3    20 SER  HN      4.10
         QB     20 SER  HN      3.83
 20 SER  
         HN     20 SER  QB      3.81
         HN     21 GLY  HN      4.50
         HA     20 SER  HB2     2.70
         HA     20 SER  HB3     2.70
         HA     20 SER  QB      2.45
         HB2    22 LYS  HB2     5.70
         HB2    22 LYS  HB3     5.70
         HB3    22 LYS  HB2     5.70
         HB3    22 LYS  HB3     5.70
         QB     22 LYS  HN      5.88
         QB     22 LYS  QB      4.35
 21 GLY  
         HN     22 LYS  HN      3.10
         HN     23 THR  HN      5.00
 22 LYS  
         HN     22 LYS  HB2     3.80
         HN     22 LYS  HB3     3.80
         HN     22 LYS  QB      3.43
         HN     22 LYS  QG      4.45
         HN     23 THR  HN      5.00
         HA     22 LYS  QB      2.69
         HA     23 THR  HN      3.50
         QB     23 THR  HA      4.86
 23 THR  
         HN     23 THR  HB      2.85
         HN     23 THR  QG2     4.85
         HA     23 THR  QG2     3.50
         HA     24 ALA  HN      2.80
         HA     24 ALA  QB      5.07
         QG2    24 ALA  HN      4.35
         QG2    24 ALA  HA      4.58
 24 ALA  
         HA     25 ILE  HN      2.90
         HA     25 ILE  HA      4.33
         QB     25 ILE  HN      3.90
         QB     25 ILE  HA      6.00
 25 ILE  
         HN     25 ILE  HB      3.34
         HN     25 ILE  QG2     4.85
         HN     25 ILE  HG12    3.95
         HN     25 ILE  HG13    3.95
         HN     26 CYSS HN      5.00
         HA     25 ILE  HG12    3.80
         HA     25 ILE  HG13    3.80
         HA     25 ILE  QG1     3.60
         HA     25 ILE  QD1     4.80
         HA     26 CYSS HN      2.90
         HA     26 CYSS HA      4.40
         HB     26 CYSS HN      4.03
         QG2    26 CYSS HN      4.37
         QG2    27 LYS  HN      5.00
 26 CYSS 
         HA     26 CYSS QB      2.71
         HA     27 LYS  HN      3.30
         HB2    42 PHE  CG      5.95
         HB2    42 PHE  CZ      6.70
         HB3    42 PHE  CG      5.95
         HB3    42 PHE  CZ      6.70
 27 LYS  
         HN     27 LYS  HB2     3.60
         HN     27 LYS  HB3     3.60
         HN     27 LYS  QB      3.22
         HN     27 LYS  HG2     4.50
         HN     27 LYS  HG3     4.50
         HN     28 CYSS HN      5.00
         HA     28 CYSS HN      2.50
         HA     28 CYSS HA      4.23
         HB2    27 LYS  HE2     5.65
         HB2    27 LYS  HE3     5.65
         HB2    28 CYSS HN      3.86
         HB3    27 LYS  HE2     5.65
         HB3    27 LYS  HE3     5.65
         HB3    28 CYSS HN      3.86
         QB     27 LYS  QD      3.72
         QB     27 LYS  QE      4.26
 28 CYSS 
         HN     28 CYSS HB2     3.55
         HN     28 CYSS HB3     3.55
         HN     28 CYSS QB      3.19
         HN     29 TYR  HN      4.50
         HN     29 TYR  CG      7.20
         HA     29 TYR  HN      3.00
         HB2    29 TYR  HN      5.00
         HB2    32 LYS  HA      3.80
         HB2    33 CYSS HN      4.00
         HB3    29 TYR  HN      5.00
         HB3    32 LYS  HA      3.80
         HB3    33 CYSS HN      4.00
         QB     29 TYR  HN      4.44
 29 TYR  
         HN     29 TYR  HB2     3.55
         HN     29 TYR  HB3     3.55
         HN     29 TYR  QB      3.31
         HN     30 VAL  HN      5.00
         HA     30 VAL  HN      3.20
         HA     30 VAL  QQG     6.92
         HB2    30 VAL  HN      5.00
         HB2    30 VAL  QG1     9.12
         HB2    30 VAL  QG2     9.12
         HB3    30 VAL  HN      5.00
         HB3    30 VAL  QG1     9.12
         HB3    30 VAL  QG2     9.12
         QB     30 VAL  QQG     7.51
         CG     30 VAL  HN      7.20
         CG     30 VAL  HB      6.21
         CG     30 VAL  QG1     7.12
         CG     30 VAL  QG2     7.12
         CG     30 VAL  QQG     6.62
         CG     48 LYS  HB2     6.70
         CG     48 LYS  HB3     6.70
         CG     48 LYS  HG2     6.70
         CG     48 LYS  HG3     6.70
         CG     48 LYS  QG      6.40
         CG     48 LYS  QD      7.52
         CZ     30 VAL  QG1     7.05
         CZ     30 VAL  QG2     7.05
         CZ     30 VAL  QQG     6.51
         CZ     48 LYS  HG2     7.20
         CZ     48 LYS  HG3     7.20
 30 VAL  
         HN     31 LYS  HN      4.00
         HB     31 LYS  HN      3.00
         QG1    31 LYS  HN      5.50
         QG2    31 LYS  HN      5.50
         QQG    31 LYS  HN      4.84
         QQG    31 LYS  HA      6.14
         QQG    31 LYS  QB      7.39
 31 LYS  
         HN     31 LYS  QB      3.90
         HN     31 LYS  QG      5.18
         HA     31 LYS  HG2     3.45
         HA     31 LYS  HG3     3.45
         HA     31 LYS  QG      3.26
         HA     31 LYS  QD      5.10
         HA     32 LYS  HN      2.60
         QB     32 LYS  HN      4.90
 32 LYS  
         HN     32 LYS  HA      2.63
         HN     32 LYS  HB2     3.25
         HN     32 LYS  HB3     3.25
         HN     32 LYS  QB      3.03
         HN     33 CYSS HN      5.00
         HA     32 LYS  QB      2.64
         HA     32 LYS  QE      4.78
         HA     33 CYSS HN      2.70
         HB2    32 LYS  HE2     5.05
         HB2    32 LYS  HE3     5.05
         HB2    33 CYSS HN      4.10
         HB3    32 LYS  HE2     5.05
         HB3    32 LYS  HE3     5.05
         HB3    33 CYSS HN      4.10
         QB     32 LYS  QE      3.98
         QB     33 CYSS HN      3.81
         QB     33 CYSS QB      6.75
         HG2    33 CYSS HN      5.00
         HG3    33 CYSS HN      5.00
         QG     33 CYSS HN      4.68
 33 CYSS 
         HN     33 CYSS HB2     3.35
         HN     33 CYSS HB3     3.35
         HN     34 PRO  HD2     5.00
         HN     34 PRO  HD3     5.00
         HN     51 CYSS HB2     5.00
         HN     51 CYSS HB3     5.00
         HA     34 PRO  QG      5.48
         HA     34 PRO  HD2     2.98
         HA     34 PRO  HD3     2.98
         HA     35 ARG  HN      5.00
         HA     38 ALA  QB      5.00
         HA     51 CYSS QB      4.88
         HB2    34 PRO  HD2     6.75
         HB2    34 PRO  HD3     6.75
         HB3    34 PRO  HD2     6.75
         HB3    34 PRO  HD3     6.75
         QB     34 PRO  QD      5.56
         QB     51 CYSS QB      6.25
 34 PRO  
         QB     35 ARG  HN      4.30
         QB     38 ALA  QB      6.88
         HG2    38 ALA  QB      5.00
         HG3    38 ALA  QB      5.00
         QG     35 ARG  HN      4.77
         QG     38 ALA  QB      4.68
         HD2    35 ARG  HN      3.66
         HD2    38 ALA  QB      5.00
         HD3    35 ARG  HN      3.66
         HD3    38 ALA  QB      5.00
         QD     35 ARG  HN      3.47
         QD     38 ALA  QB      4.45
 35 ARG  
         HN     35 ARG  HA      2.80
         HN     35 ARG  HB2     4.00
         HN     35 ARG  HB3     4.00
         HN     35 ARG  QB      3.80
         HN     35 ARG  HG2     4.10
         HN     35 ARG  HG3     4.10
         HN     35 ARG  QG      3.85
         HN     36 ASP  HN      4.50
         HN     38 ALA  QB      5.00
         HA     35 ARG  QG      3.69
         HA     35 ARG  QD      5.28
         HA     36 ASP  HN      2.60
         HA     38 ALA  HN      5.00
         HB2    35 ARG  HD2     3.80
         HB2    35 ARG  HD3     3.80
         HB3    35 ARG  HD2     3.80
         HB3    35 ARG  HD3     3.80
         QB     35 ARG  QD      3.45
         QB     38 ALA  HN      5.38
         QG     38 ALA  HN      5.09
         QD     38 ALA  QB      5.88
 36 ASP  
         HN     36 ASP  HB2     3.30
         HN     36 ASP  HB3     3.30
         HN     36 ASP  QB      3.08
         HA     38 ALA  HN      3.90
 37 GLY  
         HN     38 ALA  HN      3.05
 38 ALA  
         HN     38 ALA  HA      2.90
         HN     38 ALA  QB      3.40
         HN     39 LYS  HN      4.50
         HA     39 LYS  HN      2.65
         QB     39 LYS  HN      3.95
 39 LYS  
         HN     39 LYS  HB2     3.30
         HN     39 LYS  HB3     3.30
         HN     39 LYS  QB      3.03
         HN     39 LYS  QG      4.93
         HN     40 CYSS HN      5.00
         HA     39 LYS  QG      3.69
         HA     40 CYSS HN      2.20
         HB2    40 CYSS HN      4.00
         HB3    40 CYSS HN      4.00
         QB     40 CYSS HN      3.83
         HG2    40 CYSS HN      4.50
         HG3    40 CYSS HN      4.50
 40 CYSS 
         HA     41 GLU  HN      3.25
         HA     41 GLU  QG      4.86
         HB2    41 GLU  HN      4.05
         HB2    51 CYSS HA      3.50
         HB3    41 GLU  HN      4.05
         HB3    51 CYSS HA      3.50
         QB     41 GLU  HN      3.68
 41 GLU  
         HN     41 GLU  HG2     5.00
         HN     41 GLU  HG3     5.00
         HN     41 GLU  QG      4.68
         HN     50 TYR  HN      4.25
         HN     50 TYR  CG      7.20
         HA     42 PHE  HN      2.50
         HB2    42 PHE  HN      3.80
         HB2    50 TYR  HB2     5.98
         HB2    50 TYR  HB3     5.98
         HB2    50 TYR  CG      7.20
         HB3    42 PHE  HN      3.80
         HB3    50 TYR  HB2     5.98
         HB3    50 TYR  HB3     5.98
         HB3    50 TYR  CG      7.20
         QB     50 TYR  QB      5.20
         QB     50 TYR  CG      6.72
         HG2    50 TYR  HB2     6.75
         HG2    50 TYR  HB3     6.75
         HG2    50 TYR  CG      6.70
         HG3    50 TYR  HB2     6.75
         HG3    50 TYR  HB3     6.75
         HG3    50 TYR  CG      6.70
         QG     50 TYR  QB      5.24
 42 PHE  
         HN     42 PHE  QB      3.85
         HN     43 ASP  HN      5.00
         HA     43 ASP  HN      3.10
         HA     49 CYSS HA      4.51
         HA     50 TYR  HN      4.25
         HB2    43 ASP  HN      5.00
         HB3    43 ASP  HN      5.00
         QB     43 ASP  HN      4.44
         QB     49 CYSS HA      5.09
         CG     43 ASP  HN      7.20
         CG     44 SER  HN      7.20
         CG     44 SER  HA      5.70
         CG     44 SER  QB      8.08
         CG     47 GLY  QA      6.23
         CG     49 CYSS HA      5.81
         CG     49 CYSS QB      7.06
         CZ     43 ASP  HN      5.97
         CZ     44 SER  HA      5.70
         CZ     44 SER  HB2     5.70
         CZ     44 SER  HB3     5.70
         CZ     47 GLY  HN      7.20
         CZ     47 GLY  HA1     7.20
         CZ     47 GLY  HA2     7.20
         CZ     48 LYS  HA      7.20
         CZ     49 CYSS HA      7.20
         HZ     47 GLY  HA1     4.02
         HZ     47 GLY  HA2     4.02
         HZ     47 GLY  QA      3.75
 43 ASP  
         HN     43 ASP  HB2     3.70
         HN     43 ASP  HB3     3.70
         HN     45 TYR  CZ      6.70
         HN     48 LYS  HN      4.11
         HN     49 CYSS HA      4.00
         HN     50 TYR  CG      6.70
         HN     50 TYR  CZ      7.20
         HA     45 TYR  HN      5.00
         HA     50 TYR  CZ      6.60
         HB2    44 SER  HN      4.50
         HB2    48 LYS  HN      5.00
         HB2    50 TYR  CG      6.43
         HB2    50 TYR  CZ      5.44
         HB3    44 SER  HN      4.50
         HB3    48 LYS  HN      5.00
         HB3    50 TYR  CG      6.43
         HB3    50 TYR  CZ      5.44
         QB     46 LYS  HN      5.38
         QB     48 LYS  HN      4.44
         QB     50 TYR  CG      6.20
 44 SER  
         HN     45 TYR  HN      3.65
         HN     45 TYR  QB      6.00
         HN     46 LYS  HN      5.00
         HA     47 GLY  HN      4.50
         QB     46 LYS  HN      5.88
 45 TYR  
         HN     45 TYR  CZ      7.20
         HN     46 LYS  HN      3.10
         QB     46 LYS  HN      4.10
         QB     47 GLY  HN      6.00
         CG     46 LYS  HN      6.60
         CG     46 LYS  HG2     5.70
         CG     46 LYS  HG3     5.70
 46 LYS  
         HN     46 LYS  HB2     3.90
         HN     46 LYS  HB3     3.90
         HN     46 LYS  QB      3.55
         HN     46 LYS  HG2     4.00
         HN     46 LYS  HG3     4.00
         HN     47 GLY  HN      3.35
         HN     48 LYS  HN      5.00
         HA     46 LYS  HG2     4.10
         HA     46 LYS  HG3     4.10
         HA     46 LYS  QG      3.81
         HB2    47 GLY  HN      4.40
         HB2    48 LYS  HN      4.50
         HB3    47 GLY  HN      4.40
         HB3    48 LYS  HN      4.50
         QB     48 LYS  HN      4.17
 47 GLY  
         HN     48 LYS  HN      3.40
         HN     48 LYS  QB      5.88
 48 LYS  
         HN     48 LYS  HB2     4.10
         HN     48 LYS  HB3     4.10
         HN     48 LYS  QB      3.62
         HN     48 LYS  QG      5.00
         HA     48 LYS  QD      4.20
         HA     49 CYSS HN      3.40
         HB2    50 TYR  CZ      5.88
         HB3    50 TYR  CZ      5.88
         QB     49 CYSS HN      4.98
         QB     50 TYR  QB      6.45
         QB     50 TYR  CG      7.47
         QB     50 TYR  CZ      5.60
 49 CYSS 
         HA     50 TYR  CG      6.60
         HB2    50 TYR  HN      5.00
         HB3    50 TYR  HN      5.00
         QB     50 TYR  HN      4.68
 50 TYR  
         HN     50 TYR  HB2     3.85
         HN     50 TYR  HB3     3.85
         HN     50 TYR  QB      3.60
         HN     50 TYR  CZ      7.20
         HA     51 CYSS HN      3.50



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