NMR Restraints Grid

Result table
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image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
24930 2k5p 15844 cing 1-original 3 DYANA/DIANA distance NOE simple


#------------------------------------------------------------------------------------------------------------
#NOE constraints
# created by  AutoStructure/RPF Version 2.2.1 Copyright(C) 2007


#M1
#    1 MET  HA      1 MET  HB2     5.00       #
#    1 MET  HA      1 MET  HB3     5.00       #
    1 MET  HA      1 MET  HG2     5.00       #
    1 MET  HA      1 MET  HG3     5.00       #
    1 MET  HA      2 ASN  H       2.90       #
    1 MET  HA      2 ASN  QB      5.00       #
    1 MET  HA     56 ASP  HB2     5.00       #
    1 MET  HA     56 ASP  HB3     5.00       #
    1 MET  HB2     2 ASN  H       5.00       #
    1 MET  HB3     2 ASN  H       5.00       #
    1 MET  HB2     3 LEU  QD1     5.00       #
    1 MET  HB2     3 LEU  QD2     5.00       #
    1 MET  HB3     3 LEU  QD1     5.00       #
    1 MET  HB3     3 LEU  QD2     5.00       #
    1 MET  QB     55 LYS  HA      5.00       #
    1 MET  HB2    56 ASP  H       5.00       #
    1 MET  HB3    56 ASP  H       5.00       #
    1 MET  HB2    56 ASP  HA      5.00       #
    1 MET  HB3    56 ASP  HA      5.00       #
    1 MET  HB2    56 ASP  HB2     5.00       #
    1 MET  HB2    56 ASP  HB3     5.00       #
    1 MET  HB3    56 ASP  HB2     5.00       #
    1 MET  HB3    56 ASP  HB3     5.00       #
    1 MET  QB     57 GLY  H       5.00       #
    1 MET  HG2     2 ASN  H       5.00       #
    1 MET  HG3     2 ASN  H       5.00       #
    1 MET  HG2     3 LEU  HG      5.00       #
    1 MET  HG3     3 LEU  HG      5.00       #
    1 MET  QG      3 LEU  QD1     5.00       #
    1 MET  QG      3 LEU  QD1     5.00       #
    1 MET  QG      3 LEU  QD2     5.00       #
    1 MET  HG2    12 VAL  H       5.00       #
    1 MET  HG3    12 VAL  H       5.00       #
    1 MET  QG     12 VAL  HB      5.00       #
    1 MET  HG2    12 VAL  QG1     5.00       #
    1 MET  HG2    12 VAL  QG2     5.00       #
    1 MET  HG3    12 VAL  QG1     5.00       #
    1 MET  HG3    12 VAL  QG2     5.00       #
    1 MET  QG     15 ALA  QB      5.00       #
    1 MET  HG2    55 LYS  HA      5.00       #
    1 MET  HG3    55 LYS  HA      5.00       #
    1 MET  QG     57 GLY  H       5.00       #

#N2
    2 ASN  H       2 ASN  HA      5.00       #
    2 ASN  H       2 ASN  QB      3.50       #
    2 ASN  H       2 ASN  HD21    5.00       #
    2 ASN  H       2 ASN  HD22    5.00       #
    2 ASN  H       3 LEU  H       5.00       #
    2 ASN  H       3 LEU  QQD     5.00       #
    2 ASN  H      56 ASP  H       5.00       #
    2 ASN  H      56 ASP  HA      5.00       #
    2 ASN  H      56 ASP  HB2     5.00       #
    2 ASN  H      56 ASP  HB3     5.00       #
    2 ASN  H      57 GLY  H       5.00       #
#    2 ASN  HA      2 ASN  QB      3.50       #
    2 ASN  HA      2 ASN  QD2     5.00       #
    2 ASN  HA      3 LEU  H       2.90       #
    2 ASN  HA      3 LEU  QQD     5.00       #
    2 ASN  HA     11 THR  HA      3.50       #
    2 ASN  HA     11 THR  QG2     5.00       #
    2 ASN  HA     12 VAL  H       5.00       #
    2 ASN  QB      2 ASN  HD21    5.00       #
    2 ASN  QB      2 ASN  HD22    5.00       #
    2 ASN  QB      3 LEU  H       3.50       #
    2 ASN  QB     57 GLY  H       5.00       #
    2 ASN  HD21   11 THR  QG2     5.00       #
    2 ASN  HD22   11 THR  QG2     5.00       #

#L3
    3 LEU  H       3 LEU  HA      5.00       #
    3 LEU  H       3 LEU  HB2     5.00       #
    3 LEU  H       3 LEU  HB3     5.00       #
    3 LEU  H       3 LEU  HG      5.00       #
    3 LEU  H       3 LEU  QD1     5.00       #
    3 LEU  H       3 LEU  QQD     5.00       #
#    3 LEU  H       4 THR  H       5.00       #
    3 LEU  H      10 SER  H       5.00       #
    3 LEU  H      10 SER  QB      5.00       #
    3 LEU  H      11 THR  HA      5.00       #
    3 LEU  H      11 THR  QG2     5.00       #
    3 LEU  H      12 VAL  H       5.00       #
#    3 LEU  HA      3 LEU  HB2     5.00       #
#    3 LEU  HA      3 LEU  HB3     5.00       #
    3 LEU  HA      3 LEU  HG      5.00       #
    3 LEU  HA      3 LEU  QD1     5.00       #
    3 LEU  HA      3 LEU  QD2     5.00       #
    3 LEU  HA      4 THR  H       3.50       #
    3 LEU  HA     57 GLY  H       5.00       #
    3 LEU  HA     58 ASP  H       5.00       #
#    3 LEU  HB2     3 LEU  HG      5.00       #
#    3 LEU  HB3     3 LEU  HG      5.00       #
    3 LEU  HB2     3 LEU  QD1     5.00       #
    3 LEU  HB2     3 LEU  QD2     5.00       #
    3 LEU  HB3     3 LEU  QD1     5.00       #
    3 LEU  HB3     3 LEU  QD2     5.00       #
    3 LEU  HB2     4 THR  H       5.00       #
    3 LEU  HB3     4 THR  H       5.00       #
    3 LEU  QB      5 VAL  QQG     5.00       #
    3 LEU  HB2    10 SER  QB      5.00       #
    3 LEU  HB3    10 SER  QB      5.00       #
    3 LEU  HB2    12 VAL  QQG     5.00       #
    3 LEU  HB3    12 VAL  QQG     5.00       #
    3 LEU  QB     57 GLY  H       5.00       #
    3 LEU  HB2    58 ASP  H       5.00       #
    3 LEU  HB3    58 ASP  H       5.00       #
    3 LEU  QB     60 VAL  H       3.50       #
    3 LEU  QB     60 VAL  QG1     5.00       #
#    3 LEU  HG      3 LEU  QD1     5.00       #
#    3 LEU  HG      3 LEU  QD2     5.00       #
    3 LEU  HG      4 THR  H       5.00       #
    3 LEU  HG     12 VAL  QG1     5.00       #
    3 LEU  HG     12 VAL  QG2     5.00       #
    3 LEU  HG     58 ASP  H       5.00       #
#    3 LEU  QQD     3 LEU  QQD     5.00       #
    3 LEU  QD1     4 THR  H       5.00       #
    3 LEU  QQD     4 THR  H       5.00       #
    3 LEU  QQD    11 THR  HA      5.00       #
    3 LEU  QQD    54 VAL  QQG     5.00       #
    3 LEU  QQD    56 ASP  H       5.00       #
    3 LEU  QD1    56 ASP  HA      5.00       #
    3 LEU  QD2    56 ASP  HA      5.00       #
    3 LEU  QQD    57 GLY  H       5.00       #
    3 LEU  QD1    58 ASP  H       5.00       #
    3 LEU  QD2    58 ASP  H       5.00       #
    3 LEU  QQD    58 ASP  HB2     5.00       #
    3 LEU  QQD    58 ASP  HB3     5.00       #

#T4
    4 THR  H       4 THR  HA      5.00       #
    4 THR  H       4 THR  HB      3.50       #
    4 THR  H       4 THR  QG2     5.00       #
#    4 THR  H       5 VAL  H       5.00       #
    4 THR  H      58 ASP  H       5.00       #
    4 THR  H      59 ALA  HA      5.00       #
    4 THR  H      60 VAL  H       5.00       #
#    4 THR  HA      4 THR  HB      5.00       #
    4 THR  HA      4 THR  QG2     5.00       #
    4 THR  HA      5 VAL  H       2.90       #
    4 THR  HA     10 SER  H       3.50       #
#    4 THR  HB      4 THR  QG2     5.00       #
    4 THR  HB      5 VAL  H       5.00       #
    4 THR  HB      7 GLY  H       5.00       #
    4 THR  HB      8 LYS  H       5.00       #
    4 THR  HB     59 ALA  HA      5.00       #
    4 THR  HB     59 ALA  QB      5.00       #
    4 THR  HB     60 VAL  H       5.00       #
    4 THR  QG2     5 VAL  H       5.00       #
    4 THR  QG2     6 ASN  H       5.00       #
    4 THR  QG2     7 GLY  H       5.00       #
    4 THR  QG2     7 GLY  HA2     5.00       #
    4 THR  QG2     7 GLY  HA3     5.00       #
    4 THR  QG2     8 LYS  H       5.00       #
    4 THR  QG2     8 LYS  HA      5.00       #
    4 THR  QG2     9 PRO  HA      5.00       #
    4 THR  QG2    10 SER  H       5.00       #
    4 THR  QG2    59 ALA  HA      5.00       #
    4 THR  QG2    59 ALA  QB      5.00       #

#V5
    5 VAL  H       5 VAL  HA      5.00       #
    5 VAL  H       5 VAL  HB      5.00       #
    5 VAL  H       5 VAL  QQG     5.00       #
    5 VAL  H       6 ASN  H       5.00       #
    5 VAL  H       8 LYS  H       3.50       #
    5 VAL  H       8 LYS  HB2     5.00       #
    5 VAL  H       8 LYS  HB3     5.00       #
    5 VAL  H      10 SER  QB      5.00       #
#    5 VAL  HA      5 VAL  HB      5.00       #
    5 VAL  HA      5 VAL  QQG     5.00       #
    5 VAL  HA      6 ASN  H       3.50       #
    5 VAL  HA     60 VAL  H       5.00       #
    5 VAL  HA     60 VAL  QG1     5.00       #
    5 VAL  HA     62 PHE  H       5.00       #
#    5 VAL  HB      5 VAL  QQG     5.00       #
    5 VAL  HB      6 ASN  H       5.00       #
    5 VAL  HB     10 SER  QB      5.00       #
    5 VAL  QQG     6 ASN  H       5.00       #
    5 VAL  QQG     8 LYS  H       5.00       #
    5 VAL  QQG    10 SER  H       5.00       #
    5 VAL  QQG    10 SER  QB      5.00       #

#N6
    6 ASN  H       6 ASN  HA      3.50       #
    6 ASN  H       6 ASN  HB2     5.00       #
    6 ASN  H       6 ASN  HB3     5.00       #
    6 ASN  H       7 GLY  H       5.00       #
    6 ASN  H       8 LYS  H       5.00       #
    6 ASN  H      61 GLU  HA      5.00       #
    6 ASN  H      61 GLU  QG      5.00       #
    6 ASN  H      62 PHE  H       5.00       #
#    6 ASN  HA      6 ASN  HB2     5.00       #
#    6 ASN  HA      6 ASN  HB3     5.00       #
    6 ASN  HA      6 ASN  QD2     5.00       #
    6 ASN  HA      7 GLY  H       3.50       #
    6 ASN  HB2     6 ASN  HD21    5.00       #
    6 ASN  HB2     6 ASN  HD22    5.00       #
    6 ASN  HB3     6 ASN  HD21    5.00       #
    6 ASN  HB3     6 ASN  HD22    5.00       #
    6 ASN  QB      7 GLY  H       5.00       #
    6 ASN  QB      7 GLY  H       5.00       #
    6 ASN  QB      8 LYS  H       5.00       #
    6 ASN  QB      8 LYS  HG2     5.00       #
    6 ASN  QB      8 LYS  HG3     5.00       #
    6 ASN  QB      8 LYS  QD      5.00       #
    6 ASN  HD21   62 PHE  H       5.00       #
    6 ASN  HD22   62 PHE  H       5.00       #
    6 ASN  HD21   62 PHE  HB2     5.00       #
    6 ASN  HD21   62 PHE  HB3     5.00       #
    6 ASN  HD22   62 PHE  HB2     5.00       #
    6 ASN  HD22   62 PHE  HB3     5.00       #
    6 ASN  HD21   62 PHE  QD      5.00       #
    6 ASN  HD22   62 PHE  QD      5.00       #
    6 ASN  HD21   63 LEU  QQD     5.00       #
    6 ASN  HD22   63 LEU  QQD     5.00       #

#G7
    7 GLY  H       7 GLY  HA2     3.50       #
    7 GLY  H       7 GLY  HA3     5.00       #
    7 GLY  H       8 LYS  H       3.50       #
    7 GLY  H      61 GLU  HG2     5.00       #
    7 GLY  H      61 GLU  HG3     5.00       #
    7 GLY  HA2     8 LYS  H       5.00       #
    7 GLY  HA3     8 LYS  H       5.00       #

#K8
    8 LYS  H       8 LYS  HA      5.00       #
    8 LYS  H       8 LYS  HB2     5.00       #
    8 LYS  H       8 LYS  HB3     5.00       #
    8 LYS  H       8 LYS  HG2     5.00       #
    8 LYS  H       8 LYS  HG3     5.00       #
    8 LYS  H       9 PRO  HD2     5.00       #
    8 LYS  H       9 PRO  HD3     5.00       #
#    8 LYS  HA      8 LYS  HB2     5.00       #
#    8 LYS  HA      8 LYS  HB3     5.00       #
    8 LYS  HA      8 LYS  HG2     5.00       #
    8 LYS  HA      8 LYS  HG3     5.00       #
    8 LYS  HA      8 LYS  QD      5.00       #
    8 LYS  HA      9 PRO  HG2     5.00       #
    8 LYS  HA      9 PRO  HG3     5.00       #
    8 LYS  HA      9 PRO  HD2     5.00       #
    8 LYS  HA      9 PRO  HD3     5.00       #
#    8 LYS  HB2     8 LYS  HG2     5.00       #
#    8 LYS  HB2     8 LYS  HG3     5.00       #
#    8 LYS  HB3     8 LYS  HG2     5.00       #
#    8 LYS  HB3     8 LYS  HG3     5.00       #
    8 LYS  HB2     9 PRO  HD2     5.00       #
    8 LYS  HB2     9 PRO  HD3     5.00       #
    8 LYS  HB3     9 PRO  HD2     5.00       #
    8 LYS  HB3     9 PRO  HD3     5.00       #
#    8 LYS  HG2     8 LYS  QD      5.00       #
#    8 LYS  HG3     8 LYS  QD      5.00       #
    8 LYS  QG      8 LYS  QE      5.00       #
    8 LYS  HG2     9 PRO  HD2     5.00       #
    8 LYS  HG2     9 PRO  HD3     5.00       #
    8 LYS  HG3     9 PRO  HD2     5.00       #
    8 LYS  HG3     9 PRO  HD3     5.00       #
#    8 LYS  QD      8 LYS  QE      5.00       #
    8 LYS  QD      9 PRO  QD      5.00       #

#P9
#    9 PRO  HA      9 PRO  HB2     5.00       #
#    9 PRO  HA      9 PRO  HB3     5.00       #
#    9 PRO  HA      9 PRO  HG2     5.00       #
#    9 PRO  HA      9 PRO  HG3     5.00       #
#    9 PRO  HA      9 PRO  HD2     5.00       #
#    9 PRO  HA      9 PRO  HD3     5.00       #
    9 PRO  HA     10 SER  H       2.90       #
    9 PRO  HA     10 SER  QB      5.00       #
#    9 PRO  HB2     9 PRO  HG2     5.00       #
#    9 PRO  HB2     9 PRO  HG3     5.00       #
#    9 PRO  HB3     9 PRO  HG2     5.00       #
#    9 PRO  HB3     9 PRO  HG3     5.00       #
#    9 PRO  HB2     9 PRO  HD2     5.00       #
#    9 PRO  HB2     9 PRO  HD3     5.00       #
#    9 PRO  HB3     9 PRO  HD2     5.00       #
#    9 PRO  HB3     9 PRO  HD3     5.00       #
    9 PRO  HB2    10 SER  H       5.00       #
    9 PRO  HB3    10 SER  H       5.00       #
#    9 PRO  HG2     9 PRO  HD2     5.00       #
#    9 PRO  HG2     9 PRO  HD3     5.00       #
#    9 PRO  HG3     9 PRO  HD2     5.00       #
#    9 PRO  HG3     9 PRO  HD3     5.00       #

#S10
   10 SER  H      10 SER  HA      5.00       #
   10 SER  H      10 SER  QB      3.50       #
#   10 SER  H      11 THR  H       5.00       #
#   10 SER  HA     10 SER  QB      3.50       #
   10 SER  HA     11 THR  H       3.50       #
   10 SER  HA     11 THR  HB      5.00       #
   10 SER  QB     11 THR  H       3.50       #

#T11
   11 THR  H      11 THR  HA      3.50       #
   11 THR  H      11 THR  HB      3.50       #
   11 THR  H      11 THR  QG2     5.00       #
   11 THR  H      12 VAL  QG1     5.00       #
   11 THR  H      12 VAL  QG2     5.00       #
#   11 THR  HA     11 THR  HB      3.50       #
   11 THR  HA     11 THR  QG2     5.00       #
   11 THR  HA     12 VAL  H       2.90       #
   11 THR  HA     12 VAL  HA      5.00       #
   11 THR  HA     12 VAL  QQG     5.00       #
#   11 THR  HB     11 THR  QG2     5.00       #
   11 THR  HB     12 VAL  H       5.00       #
   11 THR  QG2    12 VAL  H       5.00       #
   11 THR  QG2    12 VAL  HA      5.00       #
   11 THR  QG2    13 ASP  H       5.00       #
   11 THR  QG2    13 ASP  HA      5.00       #

#V12
   12 VAL  H      12 VAL  HA      5.00       #
   12 VAL  H      12 VAL  HB      5.00       #
   12 VAL  H      12 VAL  QG1     5.00       #
   12 VAL  H      12 VAL  QQG     5.00       #
   12 VAL  H      13 ASP  H       5.00       #
#   12 VAL  HA     12 VAL  HB      5.00       #
   12 VAL  HA     12 VAL  QG1     5.00       #
   12 VAL  HA     12 VAL  QG2     5.00       #
   12 VAL  HA     13 ASP  H       2.90       #
   12 VAL  HA     13 ASP  HB2     5.00       #
   12 VAL  HA     13 ASP  HB3     5.00       #
#   12 VAL  HB     12 VAL  QG1     5.00       #
#   12 VAL  HB     12 VAL  QG2     5.00       #
   12 VAL  HB     13 ASP  H       5.00       #
   12 VAL  QG1    13 ASP  H       5.00       #
   12 VAL  QQG    13 ASP  H       5.00       #
   12 VAL  QG1    15 ALA  QB      5.00       #
   12 VAL  QG2    15 ALA  QB      5.00       #

#D13
   13 ASP  H      13 ASP  HA      5.00       #
   13 ASP  H      13 ASP  HB2     3.50       #
   13 ASP  H      13 ASP  HB3     3.50       #
   13 ASP  H      14 GLY  H       5.00       #
#   13 ASP  HA     13 ASP  HB2     3.50       #
#   13 ASP  HA     13 ASP  HB3     3.50       #
   13 ASP  HA     14 GLY  H       2.90       #
   13 ASP  HA     14 GLY  QA      5.00       #
   13 ASP  HA     15 ALA  H       5.00       #
   13 ASP  HB2    14 GLY  H       5.00       #
   13 ASP  HB3    14 GLY  H       5.00       #

#G14
   14 GLY  H      14 GLY  HA2     5.00       #
   14 GLY  H      14 GLY  HA3     5.00       #
   14 GLY  H      15 ALA  H       5.00       #
   14 GLY  HA2    15 ALA  H       5.00       #
   14 GLY  HA3    15 ALA  H       5.00       #

#A15
   15 ALA  H      15 ALA  HA      5.00       #
   15 ALA  H      15 ALA  QB      5.00       #
   15 ALA  H      16 GLU  H       5.00       #
#   15 ALA  HA     15 ALA  QB      5.00       #
   15 ALA  HA     16 GLU  H       5.00       #
   15 ALA  HA     16 GLU  HA      5.00       #
   15 ALA  HA     17 SER  H       5.00       #
   15 ALA  QB     16 GLU  H       5.00       #
   15 ALA  QB     16 GLU  HA      5.00       #
   15 ALA  QB     17 SER  H       5.00       #
   15 ALA  QB     18 LEU  QD1     5.00       #
   15 ALA  QB     18 LEU  QD2     5.00       #

#E16
   16 GLU  H      16 GLU  HA      5.00       #
   16 GLU  H      16 GLU  HB2     5.00       #
   16 GLU  H      16 GLU  HB3     5.00       #
   16 GLU  H      17 SER  H       3.50       #
#   16 GLU  HA     16 GLU  HB2     5.00       #
#   16 GLU  HA     16 GLU  HB3     5.00       #
   16 GLU  HA     16 GLU  HG2     5.00       #
   16 GLU  HA     16 GLU  HG3     5.00       #
   16 GLU  HA     17 SER  H       5.00       #
#   16 GLU  HB2    16 GLU  QG      5.00       #
#   16 GLU  HB3    16 GLU  QG      5.00       #
#   16 GLU  HB3    16 GLU  QG      5.00       #
   16 GLU  HB2    17 SER  H       5.00       #
   16 GLU  HB3    17 SER  H       5.00       #
   16 GLU  QG     17 SER  H       5.00       #

#S17
   17 SER  H      17 SER  HA      5.00       #
   17 SER  H      17 SER  QB      5.00       #
   17 SER  H      18 LEU  H       5.00       #
   17 SER  H      18 LEU  QB      5.00       #
   17 SER  H      18 LEU  HG      5.00       #
   17 SER  H      18 LEU  QD1     5.00       #
   17 SER  H      18 LEU  QD2     5.00       #
#   17 SER  HA     17 SER  QB      3.50       #
   17 SER  HA     18 LEU  H       3.50       #
   17 SER  QB     18 LEU  H       3.50       #
   17 SER  QB     53 THR  QG2     5.00       #

#L18
   18 LEU  H      18 LEU  HA      5.00       #
   18 LEU  H      18 LEU  HB2     5.00       #
   18 LEU  H      18 LEU  HB3     5.00       #
   18 LEU  H      18 LEU  QD1     5.00       #
   18 LEU  H      18 LEU  QQD     5.00       #
#   18 LEU  H      19 ASN  H       5.00       #
   18 LEU  H      53 THR  QG2     5.00       #
   18 LEU  H      54 VAL  H       5.00       #
   18 LEU  H      54 VAL  HB      5.00       #
   18 LEU  H      54 VAL  QQG     5.00       #
#   18 LEU  HA     18 LEU  HB2     5.00       #
#   18 LEU  HA     18 LEU  HB3     5.00       #
   18 LEU  HA     18 LEU  HG      5.00       #
   18 LEU  HA     18 LEU  QD1     5.00       #
   18 LEU  HA     18 LEU  QD2     5.00       #
   18 LEU  HA     19 ASN  H       2.90       #
   18 LEU  HA     22 GLU  QB      5.00       #
#   18 LEU  HB2    18 LEU  HG      5.00       #
#   18 LEU  HB3    18 LEU  HG      5.00       #
   18 LEU  HB2    18 LEU  QD1     5.00       #
   18 LEU  HB2    18 LEU  QD2     5.00       #
   18 LEU  HB3    18 LEU  QD1     5.00       #
   18 LEU  HB3    18 LEU  QD2     5.00       #
   18 LEU  HB2    19 ASN  H       5.00       #
   18 LEU  HB3    19 ASN  H       5.00       #
   18 LEU  QB     22 GLU  H       5.00       #
   18 LEU  HB2    22 GLU  QB      5.00       #
   18 LEU  HB3    22 GLU  QB      5.00       #
   18 LEU  HB3    22 GLU  QB      5.00       #
   18 LEU  QB     22 GLU  QG      5.00       #
   18 LEU  HB2    23 LEU  H       5.00       #
   18 LEU  HB3    23 LEU  H       5.00       #
   18 LEU  QB     54 VAL  HB      5.00       #
#   18 LEU  HG     18 LEU  QD1     5.00       #
#   18 LEU  HG     18 LEU  QD2     5.00       #
   18 LEU  HG     19 ASN  H       5.00       #
#   18 LEU  QQD    18 LEU  QQD     5.00       #
   18 LEU  QQD    19 ASN  H       5.00       #
   18 LEU  QD2    19 ASN  H       5.00       #
   18 LEU  QD1    22 GLU  QB      5.00       #
   18 LEU  QD1    22 GLU  QB      5.00       #
   18 LEU  QD2    22 GLU  QB      5.00       #
   18 LEU  QQD    22 GLU  QG      5.00       #
   18 LEU  QD1    23 LEU  H       5.00       #
   18 LEU  QD2    23 LEU  H       5.00       #
   18 LEU  QD1    23 LEU  HA      5.00       #
   18 LEU  QD2    23 LEU  HA      5.00       #
   18 LEU  QQD    23 LEU  HB2     5.00       #
   18 LEU  QQD    23 LEU  HB3     5.00       #
   18 LEU  QQD    23 LEU  HG      5.00       #
   18 LEU  QQD    26 ALA  QB      5.00       #

#N19
   19 ASN  H      19 ASN  HA      5.00       #
   19 ASN  H      19 ASN  HB2     5.00       #
   19 ASN  H      19 ASN  HB3     5.00       #
   19 ASN  H      19 ASN  HD21    5.00       #
   19 ASN  H      19 ASN  HD22    5.00       #
   19 ASN  H      20 VAL  H       5.00       #
   19 ASN  H      22 GLU  HB2     5.00       #
   19 ASN  H      22 GLU  HB3     5.00       #
   19 ASN  H      22 GLU  QG      5.00       #
   19 ASN  H      23 LEU  H       5.00       #
   19 ASN  H      53 THR  HA      5.00       #
   19 ASN  H      53 THR  QG2     5.00       #
   19 ASN  H      54 VAL  H       5.00       #
#   19 ASN  HA     19 ASN  HB2     5.00       #
#   19 ASN  HA     19 ASN  HB3     5.00       #
   19 ASN  HA     19 ASN  HD21    5.00       #
   19 ASN  HA     19 ASN  HD22    5.00       #
   19 ASN  HA     20 VAL  H       3.50       #
   19 ASN  HA     20 VAL  QQG     5.00       #
   19 ASN  HA     21 THR  H       5.00       #
   19 ASN  HA     53 THR  HA      3.50       #
   19 ASN  HA     53 THR  QG2     5.00       #
   19 ASN  HA     54 VAL  H       5.00       #
   19 ASN  HA     54 VAL  HB      5.00       #
   19 ASN  HA     54 VAL  QQG     5.00       #
   19 ASN  HB2    19 ASN  HD21    5.00       #
   19 ASN  HB2    19 ASN  HD22    5.00       #
   19 ASN  HB3    19 ASN  HD21    5.00       #
   19 ASN  HB3    19 ASN  HD22    5.00       #
   19 ASN  HB2    20 VAL  H       5.00       #
   19 ASN  HB3    20 VAL  H       5.00       #
   19 ASN  HB2    21 THR  H       5.00       #
   19 ASN  HB3    21 THR  H       5.00       #
   19 ASN  QB     22 GLU  H       5.00       #
   19 ASN  QB     50 ASP  HA      5.00       #
   19 ASN  HB2    52 THR  H       5.00       #
   19 ASN  HB3    52 THR  H       5.00       #
   19 ASN  HB2    53 THR  HA      5.00       #
   19 ASN  HB3    53 THR  HA      5.00       #
   19 ASN  HD21   21 THR  HB      5.00       #
   19 ASN  HD22   21 THR  HB      5.00       #
   19 ASN  HD21   22 GLU  H       5.00       #
   19 ASN  HD22   22 GLU  H       5.00       #
   19 ASN  HD21   22 GLU  QG      5.00       #
   19 ASN  HD22   22 GLU  QG      5.00       #
   19 ASN  HD21   50 ASP  HA      5.00       #
   19 ASN  HD22   50 ASP  HA      5.00       #

#V20
   20 VAL  H      20 VAL  HA      5.00       #
   20 VAL  H      20 VAL  HB      5.00       #
   20 VAL  H      20 VAL  QG1     5.00       #
   20 VAL  H      20 VAL  QG2     5.00       #
   20 VAL  H      21 THR  H       3.50       #
#   20 VAL  H      22 GLU  H       5.00       #
   20 VAL  H      23 LEU  H       5.00       #
   20 VAL  H      49 PHE  HA      5.00       #
   20 VAL  H      52 THR  HB      5.00       #
   20 VAL  H      52 THR  QG2     5.00       #
   20 VAL  H      53 THR  HA      5.00       #
   20 VAL  H      54 VAL  QQG     5.00       #
#   20 VAL  HA     20 VAL  HB      5.00       #
   20 VAL  HA     20 VAL  QG1     5.00       #
   20 VAL  HA     20 VAL  QG2     5.00       #
   20 VAL  HA     21 THR  H       5.00       #
   20 VAL  HA     22 GLU  H       5.00       #
   20 VAL  HA     23 LEU  H       5.00       #
   20 VAL  HA     23 LEU  HB2     5.00       #
   20 VAL  HA     23 LEU  HB3     5.00       #
   20 VAL  HA     23 LEU  QQD     5.00       #
   20 VAL  HA     24 LEU  H       5.00       #
   20 VAL  HA     54 VAL  QG1     5.00       #
   20 VAL  HA     54 VAL  QG2     5.00       #
#   20 VAL  HB     20 VAL  QG1     5.00       #
#   20 VAL  HB     20 VAL  QG2     5.00       #
   20 VAL  HB     21 THR  H       5.00       #
   20 VAL  HB     49 PHE  H       5.00       #
   20 VAL  HB     49 PHE  HA      5.00       #
   20 VAL  HB     49 PHE  HB3     5.00       #
   20 VAL  HB     49 PHE  QD      5.00       #
   20 VAL  HB     52 THR  HB      5.00       #
   20 VAL  HB     52 THR  QG2     5.00       #
#   20 VAL  QQG    20 VAL  QQG     5.00       #
   20 VAL  QG1    21 THR  H       5.00       #
   20 VAL  QG2    21 THR  H       5.00       #
   20 VAL  QQG    21 THR  HA      5.00       #
   20 VAL  QQG    23 LEU  H       5.00       #
   20 VAL  QQG    24 LEU  H       5.00       #
   20 VAL  QQG    24 LEU  HG      5.00       #
   20 VAL  QQG    24 LEU  QD1     5.00       #
   20 VAL  QQG    24 LEU  QD2     5.00       #
   20 VAL  QQG    35 VAL  QG1     5.00       #
   20 VAL  QQG    35 VAL  QG2     5.00       #
   20 VAL  QQG    37 VAL  QG2     5.00       #
   20 VAL  QQG    44 LEU  HG      5.00       #
   20 VAL  QG1    49 PHE  H       5.00       #
   20 VAL  QG2    49 PHE  H       5.00       #
   20 VAL  QG1    49 PHE  HA      5.00       #
   20 VAL  QG2    49 PHE  HA      5.00       #
   20 VAL  QG1    49 PHE  HB2     5.00       #
   20 VAL  QG1    49 PHE  HB3     5.00       #
   20 VAL  QG2    49 PHE  HB2     5.00       #
   20 VAL  QG2    49 PHE  HB3     5.00       #
   20 VAL  QG1    49 PHE  QD      5.00       #
   20 VAL  QQG    49 PHE  QD      5.00       #
   20 VAL  QG1    49 PHE  QE      5.00       #
   20 VAL  QG2    49 PHE  QE      5.00       #
   20 VAL  QQG    52 THR  H       5.00       #
   20 VAL  QQG    52 THR  HB      5.00       #
   20 VAL  QQG    52 THR  QG2     5.00       #
   20 VAL  QQG    53 THR  H       5.00       #
   20 VAL  QQG    53 THR  HA      5.00       #

#T21
   21 THR  H      21 THR  HA      3.50       #
   21 THR  H      21 THR  HB      3.50       #
   21 THR  H      21 THR  QG2     5.00       #
   21 THR  H      22 GLU  H       5.00       #
   21 THR  H      22 GLU  QB      5.00       #
#   21 THR  H      23 LEU  H       5.00       #
   21 THR  H      49 PHE  HA      5.00       #
   21 THR  H      49 PHE  HB2     5.00       #
   21 THR  H      49 PHE  HB3     5.00       #
   21 THR  H      49 PHE  QD      5.00       #
   21 THR  H      50 ASP  HA      5.00       #
#   21 THR  HA     21 THR  HB      5.00       #
   21 THR  HA     21 THR  QG2     5.00       #
   21 THR  HA     22 GLU  H       5.00       #
   21 THR  HA     23 LEU  H       5.00       #
   21 THR  HA     24 LEU  H       5.00       #
   21 THR  HA     24 LEU  HB2     5.00       #
   21 THR  HA     24 LEU  HB3     5.00       #
   21 THR  HA     24 LEU  HG      5.00       #
   21 THR  HA     24 LEU  QQD     5.00       #
   21 THR  HA     25 SER  H       5.00       #
   21 THR  HA     49 PHE  QD      5.00       #
#   21 THR  HB     21 THR  QG2     5.00       #
   21 THR  HB     22 GLU  H       3.50       #
   21 THR  HB     22 GLU  QG      5.00       #
   21 THR  QG2    22 GLU  H       5.00       #
   21 THR  QG2    22 GLU  HA      5.00       #
   21 THR  QG2    22 GLU  QG      5.00       #
   21 THR  QG2    25 SER  QB      5.00       #
   21 THR  QG2    49 PHE  QD      5.00       #
   21 THR  QG2    50 ASP  QB      5.00       #

#E22
   22 GLU  H      22 GLU  HA      3.50       #
   22 GLU  H      22 GLU  HB2     3.50       #
   22 GLU  H      22 GLU  HB3     3.50       #
   22 GLU  H      22 GLU  HG2     5.00       #
   22 GLU  H      22 GLU  HG3     5.00       #
   22 GLU  H      23 LEU  H       2.90       #
#   22 GLU  H      24 LEU  H       5.00       #
   22 GLU  H      25 SER  QB      5.00       #
#   22 GLU  HA     22 GLU  HB2     5.00       #
#   22 GLU  HA     22 GLU  HB3     5.00       #
   22 GLU  HA     22 GLU  HG2     5.00       #
   22 GLU  HA     22 GLU  HG3     5.00       #
   22 GLU  HA     23 LEU  H       5.00       #
   22 GLU  HA     25 SER  H       5.00       #
   22 GLU  HA     26 ALA  H       5.00       #
#   22 GLU  HB2    22 GLU  QG      5.00       #
#   22 GLU  HB3    22 GLU  QG      5.00       #
   22 GLU  HB2    23 LEU  H       5.00       #
   22 GLU  HB3    23 LEU  H       5.00       #
   22 GLU  QB     25 SER  QB      5.00       #
   22 GLU  QG     23 LEU  H       5.00       #

#L23
   23 LEU  H      23 LEU  HA      3.50       #
   23 LEU  H      23 LEU  HB2     5.00       #
   23 LEU  H      23 LEU  HB3     5.00       #
   23 LEU  H      23 LEU  HG      5.00       #
   23 LEU  H      23 LEU  QD1     5.00       #
   23 LEU  H      23 LEU  QD2     5.00       #
   23 LEU  H      24 LEU  H       5.00       #
#   23 LEU  H      25 SER  H       5.00       #
#   23 LEU  HA     23 LEU  HB2     5.00       #
#   23 LEU  HA     23 LEU  HB3     5.00       #
   23 LEU  HA     23 LEU  HG      5.00       #
   23 LEU  HA     23 LEU  QQD     5.00       #
   23 LEU  HA     24 LEU  H       5.00       #
   23 LEU  HA     25 SER  H       5.00       #
   23 LEU  HA     26 ALA  H       5.00       #
   23 LEU  HA     26 ALA  QB      5.00       #
   23 LEU  HA     27 LEU  H       5.00       #
#   23 LEU  HB2    23 LEU  HG      5.00       #
#   23 LEU  HB3    23 LEU  HG      5.00       #
   23 LEU  QB     23 LEU  QD1     5.00       #
   23 LEU  QB     23 LEU  QD2     5.00       #
   23 LEU  QB     23 LEU  QD1     5.00       #
   23 LEU  HB2    24 LEU  H       5.00       #
   23 LEU  HB3    24 LEU  H       5.00       #
   23 LEU  QB     54 VAL  HB      5.00       #
   23 LEU  HB2    54 VAL  QG1     5.00       #
   23 LEU  HB2    54 VAL  QG2     5.00       #
   23 LEU  HB3    54 VAL  QG1     5.00       #
   23 LEU  HB3    54 VAL  QG2     5.00       #
#   23 LEU  HG     23 LEU  QQD     5.00       #
   23 LEU  HG     24 LEU  H       5.00       #

#L24
   24 LEU  H      24 LEU  HA      5.00       #
   24 LEU  H      24 LEU  HB2     5.00       #
   24 LEU  H      24 LEU  HB3     5.00       #
   24 LEU  H      24 LEU  HG      5.00       #
   24 LEU  H      24 LEU  QD1     5.00       #
   24 LEU  H      24 LEU  QD2     5.00       #
   24 LEU  H      25 SER  H       3.50       #
   24 LEU  H      25 SER  QB      5.00       #
#   24 LEU  H      26 ALA  H       5.00       #
   24 LEU  H      26 ALA  QB      5.00       #
#   24 LEU  HA     24 LEU  HB2     5.00       #
#   24 LEU  HA     24 LEU  HB3     5.00       #
   24 LEU  HA     24 LEU  HG      5.00       #
   24 LEU  HA     24 LEU  QD1     5.00       #
   24 LEU  HA     24 LEU  QD2     5.00       #
   24 LEU  HA     25 SER  H       5.00       #
   24 LEU  HA     26 ALA  H       5.00       #
   24 LEU  HA     27 LEU  H       5.00       #
   24 LEU  HA     27 LEU  QB      5.00       #
   24 LEU  HA     29 VAL  H       5.00       #
   24 LEU  HA     29 VAL  HB      5.00       #
   24 LEU  HA     62 PHE  QE      5.00       #
#   24 LEU  QB     24 LEU  HG      5.00       #
   24 LEU  HB2    24 LEU  QD1     5.00       #
   24 LEU  HB2    24 LEU  QD2     5.00       #
   24 LEU  HB3    24 LEU  QD1     5.00       #
   24 LEU  HB3    24 LEU  QD2     5.00       #
   24 LEU  HB2    25 SER  H       5.00       #
   24 LEU  HB3    25 SER  H       5.00       #
   24 LEU  QB     25 SER  QB      5.00       #
   24 LEU  QB     32 ALA  QB      5.00       #
#   24 LEU  HG     24 LEU  QD1     5.00       #
#   24 LEU  HG     24 LEU  QD2     5.00       #
   24 LEU  HG     25 SER  H       5.00       #
#   24 LEU  QQD    24 LEU  QQD     5.00       #
   24 LEU  QD1    25 SER  H       5.00       #
   24 LEU  QD2    25 SER  H       5.00       #
   24 LEU  QQD    29 VAL  H       5.00       #
   24 LEU  QQD    29 VAL  QG1     5.00       #
   24 LEU  QQD    32 ALA  HA      5.00       #
   24 LEU  QD1    32 ALA  QB      5.00       #
   24 LEU  QD2    32 ALA  QB      5.00       #
   24 LEU  QD1    49 PHE  QD      5.00       #
   24 LEU  QQD    49 PHE  QD      5.00       #
   24 LEU  QD1    49 PHE  QE      5.00       #
   24 LEU  QD2    49 PHE  QE      5.00       #

#S25
   25 SER  H      25 SER  HA      3.50       #
   25 SER  H      25 SER  QB      2.90       #
   25 SER  H      26 ALA  H       3.50       #
   25 SER  H      26 ALA  QB      5.00       #
   25 SER  H      27 LEU  H       5.00       #
#   25 SER  HA     25 SER  QB      2.90       #
   25 SER  HA     26 ALA  H       5.00       #
   25 SER  HA     28 LYS  H       5.00       #
   25 SER  HA     28 LYS  HA      5.00       #
   25 SER  HA     29 VAL  H       5.00       #
   25 SER  QB     26 ALA  H       3.50       #
   25 SER  QB     26 ALA  HA      5.00       #
   25 SER  QB     26 ALA  QB      5.00       #

#A26
   26 ALA  H      26 ALA  HA      5.00       #
   26 ALA  H      26 ALA  QB      5.00       #
   26 ALA  H      27 LEU  H       3.50       #
   26 ALA  H      27 LEU  QB      5.00       #
   26 ALA  H      28 LYS  H       5.00       #
#   26 ALA  HA     26 ALA  QB      5.00       #
   26 ALA  HA     27 LEU  H       5.00       #
   26 ALA  HA     28 LYS  H       5.00       #
   26 ALA  QB     27 LEU  H       5.00       #
   26 ALA  QB     28 LYS  H       5.00       #

#L27
   27 LEU  H      27 LEU  HA      5.00       #
   27 LEU  H      27 LEU  QB      3.50       #
   27 LEU  H      27 LEU  HG      5.00       #
   27 LEU  H      27 LEU  QQD     5.00       #
   27 LEU  H      27 LEU  QD2     5.00       #
   27 LEU  H      28 LYS  H       3.50       #
   27 LEU  H      28 LYS  HA      5.00       #
   27 LEU  H      29 VAL  H       5.00       #
#   27 LEU  HA     27 LEU  QB      5.00       #
   27 LEU  HA     27 LEU  HG      5.00       #
   27 LEU  HA     27 LEU  QD1     5.00       #
   27 LEU  HA     27 LEU  QD2     5.00       #
   27 LEU  HA     28 LYS  H       5.00       #
#   27 LEU  QB     27 LEU  HG      5.00       #
   27 LEU  QB     27 LEU  QD1     5.00       #
   27 LEU  QB     27 LEU  QD2     5.00       #
   27 LEU  QB     28 LYS  H       5.00       #
   27 LEU  QB     29 VAL  H       5.00       #
#   27 LEU  HG     27 LEU  QD1     5.00       #
#   27 LEU  HG     27 LEU  QD2     5.00       #
#   27 LEU  QQD    27 LEU  QQD     5.00       #
   27 LEU  QQD    28 LYS  H       5.00       #
   27 LEU  QD2    28 LYS  H       5.00       #
   27 LEU  QQD    29 VAL  H       5.00       #
   27 LEU  QQD    62 PHE  QE      5.00       #
   27 LEU  QQD    62 PHE  QE      5.00       #

#K28
   28 LYS  H      28 LYS  HA      2.90       #
   28 LYS  H      28 LYS  HB2     5.00       #
   28 LYS  H      28 LYS  HB3     5.00       #
   28 LYS  H      28 LYS  QG      5.00       #
   28 LYS  H      29 VAL  H       3.50       #
#   28 LYS  HA     28 LYS  HB2     5.00       #
#   28 LYS  HA     28 LYS  HB3     5.00       #
   28 LYS  HA     28 LYS  QG      5.00       #
   28 LYS  HA     29 VAL  H       3.50       #
#   28 LYS  HB2    28 LYS  QG      5.00       #
#   28 LYS  HB3    28 LYS  QG      5.00       #
   28 LYS  HB2    29 VAL  H       5.00       #
   28 LYS  HB3    29 VAL  H       5.00       #
#   28 LYS  QG     28 LYS  QD      5.00       #
   28 LYS  QG     28 LYS  QE      5.00       #
   28 LYS  QG     29 VAL  H       5.00       #
#   28 LYS  QD     28 LYS  QE      5.00       #

#V29
   29 VAL  H      29 VAL  HA      5.00       #
   29 VAL  H      29 VAL  HB      3.50       #
   29 VAL  H      29 VAL  QG1     5.00       #
   29 VAL  H      29 VAL  QG2     5.00       #
   29 VAL  H      30 ALA  H       5.00       #
#   29 VAL  HA     29 VAL  HB      5.00       #
   29 VAL  HA     29 VAL  QG1     5.00       #
   29 VAL  HA     29 VAL  QG2     5.00       #
   29 VAL  HA     30 ALA  H       2.90       #
   29 VAL  HA     30 ALA  HA      5.00       #
   29 VAL  HA     30 ALA  QB      5.00       #
#   29 VAL  HB     29 VAL  QG1     5.00       #
#   29 VAL  HB     29 VAL  QG2     5.00       #
   29 VAL  HB     30 ALA  H       5.00       #
#   29 VAL  QG1    29 VAL  QG2     5.00       #
   29 VAL  QG1    30 ALA  H       5.00       #
   29 VAL  QG2    30 ALA  H       5.00       #
   29 VAL  QG1    30 ALA  HA      5.00       #
   29 VAL  QG1    30 ALA  QB      5.00       #
   29 VAL  QG1    31 GLN  H       5.00       #
   29 VAL  QG1    32 ALA  H       5.00       #
   29 VAL  QG1    32 ALA  HA      5.00       #
   29 VAL  QG1    32 ALA  QB      5.00       #
   29 VAL  QG1    35 VAL  QG1     5.00       #
   29 VAL  QG1    35 VAL  QG2     5.00       #
   29 VAL  QG2    62 PHE  QE      5.00       #
   29 VAL  QG1    62 PHE  HZ      5.00       #
   29 VAL  QG2    62 PHE  HZ      5.00       #

#A30
   30 ALA  H      30 ALA  HA      5.00       #
   30 ALA  H      30 ALA  QB      5.00       #
   30 ALA  H      31 GLN  H       5.00       #
#   30 ALA  HA     30 ALA  QB      5.00       #
   30 ALA  HA     31 GLN  H       5.00       #
   30 ALA  HA     31 GLN  QG      5.00       #
   30 ALA  QB     31 GLN  H       5.00       #
   30 ALA  QB     31 GLN  HA      5.00       #
   30 ALA  QB     31 GLN  HB2     5.00       #
   30 ALA  QB     31 GLN  HB3     5.00       #
   30 ALA  QB     31 GLN  QG      5.00       #
   30 ALA  QB     31 GLN  HE21    5.00       #
   30 ALA  QB     31 GLN  HE22    5.00       #

#Q31
   31 GLN  H      31 GLN  HA      3.50       #
   31 GLN  H      31 GLN  HB2     5.00       #
   31 GLN  H      31 GLN  HB3     5.00       #
   31 GLN  H      31 GLN  QG      5.00       #
   31 GLN  H      32 ALA  H       5.00       #
#   31 GLN  HA     31 GLN  HB2     5.00       #
#   31 GLN  HA     31 GLN  HB3     5.00       #
   31 GLN  HA     31 GLN  QG      5.00       #
   31 GLN  HA     32 ALA  H       3.50       #
   31 GLN  HA     32 ALA  HA      5.00       #
   31 GLN  HA     32 ALA  QB      5.00       #
   31 GLN  HA     33 GLU  H       5.00       #
   31 GLN  HA     34 TYR  H       5.00       #
   31 GLN  HA     34 TYR  QD      5.00       #
   31 GLN  HA     34 TYR  QE      5.00       #
#   31 GLN  HB2    31 GLN  QG      5.00       #
#   31 GLN  HB3    31 GLN  QG      5.00       #
   31 GLN  QB     31 GLN  QE2     5.00       #
   31 GLN  HB2    32 ALA  H       5.00       #
   31 GLN  HB3    32 ALA  H       5.00       #
   31 GLN  HB2    34 TYR  H       5.00       #
   31 GLN  HB3    34 TYR  H       5.00       #
   31 GLN  HB2    34 TYR  HB2     5.00       #
   31 GLN  HB2    34 TYR  HB3     5.00       #
   31 GLN  HB3    34 TYR  HB2     5.00       #
   31 GLN  HB3    34 TYR  HB3     5.00       #
   31 GLN  HB2    34 TYR  QD      5.00       #
   31 GLN  HB3    34 TYR  QD      5.00       #
   31 GLN  QB     34 TYR  QE      5.00       #
   31 GLN  QG     31 GLN  HE21    5.00       #
   31 GLN  QG     31 GLN  HE22    5.00       #
   31 GLN  QG     32 ALA  H       5.00       #
   31 GLN  QG     34 TYR  H       5.00       #
   31 GLN  QG     34 TYR  QD      5.00       #
   31 GLN  QG     34 TYR  QE      5.00       #
   31 GLN  QE2    34 TYR  QB      5.00       #

#A32
   32 ALA  H      32 ALA  HA      5.00       #
   32 ALA  H      32 ALA  QB      5.00       #
   32 ALA  H      33 GLU  H       5.00       #
   32 ALA  H      34 TYR  QE      5.00       #
   32 ALA  H      35 VAL  QQG     5.00       #
#   32 ALA  HA     32 ALA  QB      5.00       #
   32 ALA  HA     33 GLU  H       5.00       #
   32 ALA  HA     34 TYR  H       5.00       #
   32 ALA  HA     35 VAL  HB      5.00       #
   32 ALA  HA     35 VAL  QQG     5.00       #
   32 ALA  QB     33 GLU  H       5.00       #
   32 ALA  QB     34 TYR  H       5.00       #

#E33
   33 GLU  H      33 GLU  HA      5.00       #
   33 GLU  H      33 GLU  QB      5.00       #
   33 GLU  H      33 GLU  HG2     5.00       #
   33 GLU  H      33 GLU  HG3     5.00       #
   33 GLU  H      34 TYR  H       5.00       #
#   33 GLU  HA     33 GLU  QB      3.50       #
   33 GLU  HA     33 GLU  HG2     5.00       #
   33 GLU  HA     33 GLU  HG3     5.00       #
   33 GLU  HA     34 TYR  H       5.00       #
#   33 GLU  QB     33 GLU  QG      5.00       #
   33 GLU  QB     34 TYR  H       5.00       #
   33 GLU  QB     34 TYR  QD      5.00       #
   33 GLU  QB     34 TYR  QE      5.00       #
   33 GLU  HG2    34 TYR  H       5.00       #
   33 GLU  HG3    34 TYR  H       5.00       #
   33 GLU  HG2    34 TYR  QD      5.00       #
   33 GLU  HG3    34 TYR  QD      5.00       #
   33 GLU  HG2    34 TYR  QE      5.00       #
   33 GLU  HG3    34 TYR  QE      5.00       #

#Y34
   34 TYR  H      34 TYR  HA      5.00       #
   34 TYR  H      34 TYR  HB2     5.00       #
   34 TYR  H      34 TYR  HB3     5.00       #
   34 TYR  H      34 TYR  QD      5.00       #
   34 TYR  H      34 TYR  QE      5.00       #
   34 TYR  H      35 VAL  H       5.00       #
   34 TYR  H      35 VAL  HB      5.00       #
   34 TYR  H      35 VAL  QQG     5.00       #
#   34 TYR  HA     34 TYR  HB2     5.00       #
#   34 TYR  HA     34 TYR  HB3     5.00       #
   34 TYR  HA     34 TYR  QD      5.00       #
   34 TYR  HA     35 VAL  H       5.00       #
   34 TYR  HA     35 VAL  QQG     5.00       #
   34 TYR  HB2    34 TYR  QD      5.00       #
   34 TYR  HB3    34 TYR  QD      5.00       #
   34 TYR  QB     34 TYR  QE      5.00       #
   34 TYR  QB     34 TYR  QE      5.00       #
   34 TYR  QB     35 VAL  H       5.00       #
#   34 TYR  QD     34 TYR  QE      5.00       #

#V35
   35 VAL  H      35 VAL  HB      5.00       #
   35 VAL  H      35 VAL  QQG     5.00       #
   35 VAL  H      36 THR  HA      5.00       #
#   35 VAL  HA     35 VAL  HB      5.00       #
   35 VAL  HA     35 VAL  QG1     5.00       #
   35 VAL  HA     35 VAL  QG2     5.00       #
   35 VAL  HA     36 THR  H       3.50       #
   35 VAL  HA     65 PHE  QE      5.00       #
   35 VAL  HA     65 PHE  HZ      5.00       #
#   35 VAL  HB     35 VAL  QG1     5.00       #
#   35 VAL  HB     35 VAL  QG2     5.00       #
   35 VAL  HB     36 THR  H       5.00       #
   35 VAL  HB     37 VAL  QG1     5.00       #
   35 VAL  HB     62 PHE  HZ      5.00       #
#   35 VAL  QQG    35 VAL  QQG     5.00       #
   35 VAL  QG1    36 THR  H       5.00       #
   35 VAL  QG2    36 THR  H       5.00       #
   35 VAL  QQG    36 THR  HA      5.00       #
   35 VAL  QG1    37 VAL  H       5.00       #
   35 VAL  QQG    37 VAL  H       5.00       #
   35 VAL  QQG    37 VAL  HA      5.00       #
   35 VAL  QQG    37 VAL  QG1     5.00       #
   35 VAL  QQG    62 PHE  QD      5.00       #
   35 VAL  QQG    62 PHE  QE      5.00       #
   35 VAL  QQG    62 PHE  QE      5.00       #
   35 VAL  QQG    62 PHE  HZ      5.00       #
   35 VAL  QQG    65 PHE  HZ      5.00       #

#T36
   36 THR  H      36 THR  HA      5.00       #
   36 THR  H      36 THR  HB      5.00       #
   36 THR  H      36 THR  QG2     5.00       #
   36 THR  H      37 VAL  H       5.00       #
   36 THR  H      37 VAL  QG1     5.00       #
   36 THR  H      65 PHE  QE      5.00       #
#   36 THR  HA     36 THR  HB      5.00       #
   36 THR  HA     36 THR  QG2     5.00       #
   36 THR  HA     37 VAL  H       3.50       #
   36 THR  HA     37 VAL  QG1     5.00       #
   36 THR  HA     37 VAL  QG2     5.00       #
   36 THR  HA     65 PHE  HZ      5.00       #
#   36 THR  HB     36 THR  QG2     5.00       #
   36 THR  HB     37 VAL  H       5.00       #
   36 THR  HB     63 LEU  H       5.00       #
   36 THR  HB     63 LEU  HG      5.00       #
   36 THR  QG2    37 VAL  H       5.00       #
   36 THR  QG2    43 VAL  HA      5.00       #
   36 THR  QG2    43 VAL  HB      5.00       #
   36 THR  QG2    43 VAL  QG1     5.00       #
   36 THR  QG2    43 VAL  QG2     5.00       #
   36 THR  QG2    65 PHE  QD      5.00       #

#V37
   37 VAL  H      37 VAL  QG1     5.00       #
   37 VAL  H      37 VAL  QG2     5.00       #
   37 VAL  H      44 LEU  H       5.00       #
   37 VAL  H      49 PHE  QE      5.00       #
#   37 VAL  HA     37 VAL  HB      5.00       #
   37 VAL  HA     37 VAL  QG1     5.00       #
   37 VAL  HA     37 VAL  QG2     5.00       #
   37 VAL  HA     38 GLU  H       2.90       #
   37 VAL  HA     43 VAL  QQG     5.00       #
   37 VAL  HA     61 GLU  H       5.00       #
#   37 VAL  HB     37 VAL  QG1     5.00       #
#   37 VAL  HB     37 VAL  QG2     5.00       #
   37 VAL  HB     38 GLU  H       5.00       #
   37 VAL  HB     61 GLU  H       5.00       #
#   37 VAL  QG1    37 VAL  QG2     5.00       #
   37 VAL  QG1    38 GLU  H       5.00       #
   37 VAL  QG2    38 GLU  H       5.00       #
   37 VAL  QG2    39 LEU  H       5.00       #
   37 VAL  QG2    44 LEU  H       5.00       #
   37 VAL  QG2    44 LEU  HG      5.00       #
   37 VAL  QG1    62 PHE  QD      5.00       #
   37 VAL  QG1    62 PHE  QE      5.00       #

#E38
   38 GLU  H      38 GLU  HA      5.00       #
   38 GLU  H      38 GLU  HB2     5.00       #
   38 GLU  H      38 GLU  HB3     5.00       #
   38 GLU  H      38 GLU  HG2     5.00       #
   38 GLU  H      38 GLU  HG3     5.00       #
   38 GLU  H      39 LEU  QQD     5.00       #
   38 GLU  H      43 VAL  QQG     5.00       #
   38 GLU  H      61 GLU  HB2     5.00       #
   38 GLU  H      61 GLU  HB3     5.00       #
#   38 GLU  HA     38 GLU  HB2     5.00       #
#   38 GLU  HA     38 GLU  HB3     5.00       #
   38 GLU  HA     38 GLU  HG2     5.00       #
   38 GLU  HA     38 GLU  HG3     5.00       #
   38 GLU  HA     39 LEU  H       3.50       #
   38 GLU  HA     39 LEU  QQD     5.00       #
   38 GLU  HA     42 GLU  H       5.00       #
   38 GLU  HA     43 VAL  HA      3.50       #
   38 GLU  HA     43 VAL  QQG     5.00       #
   38 GLU  HA     44 LEU  H       5.00       #
   38 GLU  HA     44 LEU  QQD     5.00       #
#   38 GLU  QB     38 GLU  QG      5.00       #
   38 GLU  HB2    39 LEU  H       5.00       #
   38 GLU  HB3    39 LEU  H       5.00       #
   38 GLU  QB     41 GLY  H       5.00       #
   38 GLU  HB2    42 GLU  H       5.00       #
   38 GLU  HB3    42 GLU  H       5.00       #
   38 GLU  HB2    43 VAL  H       5.00       #
   38 GLU  HB3    43 VAL  H       5.00       #
   38 GLU  HB2    43 VAL  HA      5.00       #
   38 GLU  HB3    43 VAL  HA      5.00       #
   38 GLU  HB2    43 VAL  QG1     5.00       #
   38 GLU  HB2    43 VAL  QG2     5.00       #
   38 GLU  HB3    43 VAL  QG1     5.00       #
   38 GLU  HB3    43 VAL  QG2     5.00       #
   38 GLU  HB2    44 LEU  H       5.00       #
   38 GLU  HB3    44 LEU  H       5.00       #
   38 GLU  HG2    41 GLY  H       5.00       #
   38 GLU  HG3    41 GLY  H       5.00       #
   38 GLU  HG2    41 GLY  QA      5.00       #
   38 GLU  HG3    41 GLY  QA      5.00       #
   38 GLU  HG3    41 GLY  QA      5.00       #
   38 GLU  HG2    42 GLU  H       5.00       #
   38 GLU  HG3    42 GLU  H       5.00       #

#L39
   39 LEU  H      39 LEU  HA      5.00       #
   39 LEU  H      39 LEU  HB2     5.00       #
   39 LEU  H      39 LEU  HB3     5.00       #
   39 LEU  H      39 LEU  QQD     5.00       #
   39 LEU  H      40 ASN  H       5.00       #
   39 LEU  H      42 GLU  H       5.00       #
   39 LEU  H      42 GLU  QB      5.00       #
   39 LEU  H      43 VAL  HA      5.00       #
   39 LEU  H      44 LEU  QQD     5.00       #
#   39 LEU  HA     39 LEU  HB2     5.00       #
#   39 LEU  HA     39 LEU  HB3     5.00       #
   39 LEU  HA     39 LEU  QD1     5.00       #
   39 LEU  HA     39 LEU  QD2     5.00       #
   39 LEU  HA     40 ASN  H       3.50       #
   39 LEU  HA     40 ASN  HA      5.00       #
   39 LEU  HA     41 GLY  H       5.00       #
   39 LEU  HA     42 GLU  H       5.00       #
   39 LEU  HA     59 ALA  H       5.00       #
   39 LEU  HA     59 ALA  QB      5.00       #
   39 LEU  QB     39 LEU  QD1     5.00       #
   39 LEU  QB     39 LEU  QD2     5.00       #
   39 LEU  HB2    40 ASN  H       5.00       #
   39 LEU  HB3    40 ASN  H       5.00       #
   39 LEU  QQD    40 ASN  H       5.00       #
   39 LEU  QQD    40 ASN  HA      5.00       #
   39 LEU  QQD    40 ASN  HB2     5.00       #
   39 LEU  QQD    40 ASN  HB3     5.00       #
   39 LEU  QQD    40 ASN  HD21    5.00       #
   39 LEU  QQD    40 ASN  HD22    5.00       #
   39 LEU  QQD    58 ASP  QB      5.00       #
   39 LEU  QQD    59 ALA  H       5.00       #

#N40
   40 ASN  H      40 ASN  HA      3.50       #
   40 ASN  H      40 ASN  HB2     5.00       #
   40 ASN  H      40 ASN  HB3     5.00       #
   40 ASN  H      40 ASN  QD2     5.00       #
   40 ASN  H      41 GLY  H       5.00       #
   40 ASN  H      42 GLU  H       5.00       #
   40 ASN  H      59 ALA  H       5.00       #
   40 ASN  H      59 ALA  QB      5.00       #
#   40 ASN  HA     40 ASN  HB2     5.00       #
#   40 ASN  HA     40 ASN  HB3     5.00       #
   40 ASN  HA     40 ASN  QD2     5.00       #
   40 ASN  HA     41 GLY  H       3.50       #
   40 ASN  HA     42 GLU  H       5.00       #
   40 ASN  HA     59 ALA  H       5.00       #
   40 ASN  HA     59 ALA  QB      5.00       #
   40 ASN  HB2    40 ASN  HD21    5.00       #
   40 ASN  HB2    40 ASN  HD22    5.00       #
   40 ASN  HB3    40 ASN  HD21    5.00       #
   40 ASN  HB3    40 ASN  HD22    5.00       #
   40 ASN  QB     41 GLY  H       5.00       #
   40 ASN  HB2    59 ALA  QB      5.00       #
   40 ASN  HB3    59 ALA  QB      5.00       #
   40 ASN  HD21   58 ASP  HA      5.00       #
   40 ASN  HD22   58 ASP  HA      5.00       #
   40 ASN  HD21   59 ALA  H       5.00       #
   40 ASN  HD22   59 ALA  H       5.00       #
   40 ASN  HD21   59 ALA  QB      5.00       #
   40 ASN  HD22   59 ALA  QB      5.00       #

#G41
   41 GLY  H      41 GLY  HA2     5.00       #
   41 GLY  H      41 GLY  HA3     5.00       #
   41 GLY  H      42 GLU  H       5.00       #
   41 GLY  H      59 ALA  QB      5.00       #
   41 GLY  HA2    42 GLU  H       5.00       #
   41 GLY  HA3    42 GLU  H       5.00       #

#E42
   42 GLU  H      42 GLU  HA      5.00       #
   42 GLU  H      42 GLU  HB2     3.50       #
   42 GLU  H      42 GLU  HB3     3.50       #
   42 GLU  H      42 GLU  HG2     5.00       #
   42 GLU  H      42 GLU  HG3     5.00       #
   42 GLU  H      43 VAL  H       5.00       #
#   42 GLU  HA     42 GLU  HB2     5.00       #
#   42 GLU  HA     42 GLU  HB3     5.00       #
   42 GLU  HA     42 GLU  HG2     5.00       #
   42 GLU  HA     42 GLU  HG3     5.00       #
   42 GLU  HA     43 VAL  H       3.50       #
   42 GLU  HA     43 VAL  HA      5.00       #
#   42 GLU  HB2    42 GLU  QG      5.00       #
#   42 GLU  HB2    42 GLU  QG      5.00       #
#   42 GLU  HB3    42 GLU  QG      5.00       #
   42 GLU  HB2    43 VAL  H       5.00       #
   42 GLU  HB3    43 VAL  H       5.00       #
   42 GLU  QB     44 LEU  QQD     5.00       #
   42 GLU  HG2    43 VAL  H       5.00       #
   42 GLU  HG3    43 VAL  H       5.00       #

#V43
   43 VAL  H      43 VAL  HA      3.50       #
   43 VAL  H      43 VAL  HB      3.50       #
   43 VAL  H      43 VAL  QG1     5.00       #
   43 VAL  H      43 VAL  QG2     5.00       #
#   43 VAL  HA     43 VAL  HB      5.00       #
   43 VAL  HA     43 VAL  QG1     5.00       #
   43 VAL  HA     43 VAL  QG2     5.00       #
   43 VAL  HA     44 LEU  H       2.90       #
   43 VAL  HA     44 LEU  HA      5.00       #
#   43 VAL  HB     43 VAL  QG1     5.00       #
#   43 VAL  HB     43 VAL  QG2     5.00       #
   43 VAL  HB     44 LEU  H       5.00       #
   43 VAL  QQG    44 LEU  H       5.00       #
   43 VAL  QG1    44 LEU  HA      5.00       #
   43 VAL  QG2    44 LEU  HA      5.00       #

#L44
   44 LEU  H      44 LEU  HA      5.00       #
   44 LEU  H      44 LEU  HB2     5.00       #
   44 LEU  H      44 LEU  HB3     5.00       #
   44 LEU  H      44 LEU  HG      5.00       #
   44 LEU  H      44 LEU  QQD     5.00       #
#   44 LEU  HA     44 LEU  HB2     5.00       #
#   44 LEU  HA     44 LEU  HB3     5.00       #
   44 LEU  HA     44 LEU  HG      5.00       #
   44 LEU  HA     44 LEU  QQD     5.00       #
   44 LEU  HA     45 GLU  H       2.90       #
#   44 LEU  HB2    44 LEU  HG      5.00       #
#   44 LEU  HB3    44 LEU  HG      5.00       #
   44 LEU  HB2    44 LEU  QQD     5.00       #
   44 LEU  HB3    44 LEU  QQD     5.00       #
   44 LEU  HB2    45 GLU  H       5.00       #
   44 LEU  HB3    45 GLU  H       5.00       #
   44 LEU  QB     48 ALA  QB      5.00       #
   44 LEU  QB     49 PHE  H       5.00       #
   44 LEU  HB2    49 PHE  QD      5.00       #
   44 LEU  HB3    49 PHE  QD      5.00       #
   44 LEU  HB2    49 PHE  QE      5.00       #
   44 LEU  HB3    49 PHE  QE      5.00       #
#   44 LEU  HG     44 LEU  QQD     5.00       #
   44 LEU  HG     49 PHE  HA      5.00       #
   44 LEU  HG     49 PHE  QD      5.00       #
   44 LEU  HG     49 PHE  QE      5.00       #
   44 LEU  HG     52 THR  HB      5.00       #
   44 LEU  HG     52 THR  QG2     5.00       #
   44 LEU  QQD    45 GLU  H       5.00       #
   44 LEU  QQD    48 ALA  QB      5.00       #
   44 LEU  QQD    49 PHE  H       5.00       #
   44 LEU  QQD    49 PHE  HA      5.00       #
   44 LEU  QQD    49 PHE  QD      5.00       #
   44 LEU  QQD    49 PHE  QE      5.00       #
   44 LEU  QQD    52 THR  HB      5.00       #
   44 LEU  QQD    52 THR  QG2     5.00       #

#E45
   45 GLU  H      45 GLU  HA      3.50       #
   45 GLU  H      45 GLU  HB2     3.50       #
   45 GLU  H      45 GLU  HB3     5.00       #
   45 GLU  H      45 GLU  HG2     5.00       #
   45 GLU  H      45 GLU  HG3     5.00       #
   45 GLU  H      48 ALA  H       5.00       #
   45 GLU  H      48 ALA  QB      5.00       #
#   45 GLU  HA     45 GLU  HB2     5.00       #
#   45 GLU  HA     45 GLU  HB3     5.00       #
   45 GLU  HA     45 GLU  HG2     5.00       #
   45 GLU  HA     45 GLU  HG3     5.00       #
   45 GLU  HA     46 ARG  H       2.90       #
   45 GLU  HA     46 ARG  HA      5.00       #
   45 GLU  HA     47 GLU  H       5.00       #
   45 GLU  HA     48 ALA  QB      5.00       #
#   45 GLU  HB2    45 GLU  QG      5.00       #
#   45 GLU  HB3    45 GLU  QG      5.00       #
#   45 GLU  HB3    45 GLU  QG      5.00       #
   45 GLU  HB2    46 ARG  H       5.00       #
   45 GLU  HB3    46 ARG  H       5.00       #
   45 GLU  HB2    47 GLU  H       5.00       #
   45 GLU  HB3    47 GLU  H       5.00       #
   45 GLU  HB2    48 ALA  H       5.00       #
   45 GLU  HB3    48 ALA  H       5.00       #
   45 GLU  HB2    48 ALA  QB      5.00       #
   45 GLU  HB3    48 ALA  QB      5.00       #
   45 GLU  QB     49 PHE  H       5.00       #
   45 GLU  HG2    46 ARG  H       5.00       #
   45 GLU  HG3    46 ARG  H       5.00       #
   45 GLU  HG2    47 GLU  H       5.00       #
   45 GLU  HG3    47 GLU  H       5.00       #
   45 GLU  HG2    48 ALA  QB      5.00       #
   45 GLU  HG3    48 ALA  QB      5.00       #

#R46
   46 ARG  H      46 ARG  HA      3.50       #
   46 ARG  H      46 ARG  HB2     5.00       #
   46 ARG  H      46 ARG  HB3     5.00       #
   46 ARG  H      46 ARG  QG      5.00       #
   46 ARG  H      46 ARG  QD      5.00       #
   46 ARG  H      47 GLU  H       3.50       #
   46 ARG  H      47 GLU  QB      5.00       #
   46 ARG  H      48 ALA  H       5.00       #
#   46 ARG  HA     46 ARG  HB2     5.00       #
#   46 ARG  HA     46 ARG  HB3     5.00       #
   46 ARG  HA     46 ARG  QG      5.00       #
   46 ARG  HA     46 ARG  QD      5.00       #
   46 ARG  HA     47 GLU  H       5.00       #
   46 ARG  HA     48 ALA  H       5.00       #
   46 ARG  HA     49 PHE  H       5.00       #
   46 ARG  HA     49 PHE  QD      5.00       #
   46 ARG  HA     49 PHE  QE      5.00       #
#   46 ARG  HB2    46 ARG  QG      5.00       #
#   46 ARG  HB3    46 ARG  QG      5.00       #
   46 ARG  HB2    46 ARG  QD      5.00       #
   46 ARG  HB3    46 ARG  QD      5.00       #
   46 ARG  HB2    47 GLU  H       5.00       #
   46 ARG  HB3    47 GLU  H       5.00       #
   46 ARG  QB     47 GLU  QB      5.00       #
#   46 ARG  QG     46 ARG  QD      5.00       #
   46 ARG  QG     47 GLU  H       5.00       #

#E47
   47 GLU  H      47 GLU  HA      3.50       #
   47 GLU  H      47 GLU  QB      2.90       #
   47 GLU  H      47 GLU  HG2     5.00       #
   47 GLU  H      47 GLU  HG3     5.00       #
   47 GLU  H      48 ALA  H       5.00       #
   47 GLU  H      48 ALA  HA      5.00       #
   47 GLU  H      48 ALA  QB      5.00       #
   47 GLU  H      49 PHE  H       5.00       #
#   47 GLU  HA     47 GLU  QB      3.50       #
   47 GLU  HA     47 GLU  HG2     5.00       #
   47 GLU  HA     47 GLU  HG3     5.00       #
   47 GLU  HA     48 ALA  H       5.00       #
   47 GLU  HA     49 PHE  H       5.00       #
#   47 GLU  QB     47 GLU  HG2     5.00       #
#   47 GLU  QB     47 GLU  HG3     5.00       #
   47 GLU  QB     48 ALA  H       5.00       #
   47 GLU  QB     48 ALA  QB      5.00       #
   47 GLU  QB     49 PHE  H       5.00       #
   47 GLU  HG2    48 ALA  H       5.00       #
   47 GLU  HG3    48 ALA  H       5.00       #

#A48
   48 ALA  H      48 ALA  HA      5.00       #
   48 ALA  H      48 ALA  QB      5.00       #
   48 ALA  H      49 PHE  H       2.90       #
   48 ALA  H      49 PHE  QD      5.00       #
#   48 ALA  HA     48 ALA  QB      5.00       #
   48 ALA  HA     49 PHE  H       5.00       #
   48 ALA  HA     50 ASP  H       5.00       #
   48 ALA  HA     51 ALA  H       5.00       #
   48 ALA  HA     51 ALA  QB      5.00       #
   48 ALA  QB     49 PHE  H       5.00       #
   48 ALA  QB     49 PHE  HA      5.00       #
   48 ALA  QB     49 PHE  QD      5.00       #
   48 ALA  QB     49 PHE  QE      5.00       #
   48 ALA  QB     51 ALA  H       5.00       #

#F49
   49 PHE  H      49 PHE  HA      5.00       #
   49 PHE  H      49 PHE  HB2     5.00       #
   49 PHE  H      49 PHE  HB3     5.00       #
   49 PHE  H      49 PHE  QD      5.00       #
   49 PHE  H      49 PHE  QE      5.00       #
   49 PHE  H      50 ASP  H       3.50       #
   49 PHE  H      50 ASP  QB      5.00       #
   49 PHE  H      51 ALA  H       5.00       #
#   49 PHE  HA     49 PHE  HB2     5.00       #
#   49 PHE  HA     49 PHE  HB3     5.00       #
   49 PHE  HA     49 PHE  QD      5.00       #
   49 PHE  HA     49 PHE  QE      5.00       #
   49 PHE  HA     50 ASP  H       5.00       #
   49 PHE  HA     51 ALA  H       5.00       #
   49 PHE  HA     52 THR  H       5.00       #
   49 PHE  HA     52 THR  HB      5.00       #
   49 PHE  HA     52 THR  QG2     5.00       #
   49 PHE  HB2    49 PHE  QD      5.00       #
   49 PHE  HB3    49 PHE  QD      5.00       #
   49 PHE  HB2    49 PHE  QE      5.00       #
   49 PHE  HB2    50 ASP  H       5.00       #
   49 PHE  HB3    50 ASP  H       5.00       #
#   49 PHE  QD     49 PHE  QE      5.00       #
   49 PHE  QD     50 ASP  H       5.00       #

#D50
   50 ASP  H      50 ASP  HA      5.00       #
   50 ASP  H      50 ASP  QB      3.50       #
   50 ASP  H      51 ALA  H       3.50       #
   50 ASP  H      51 ALA  QB      5.00       #
   50 ASP  H      52 THR  H       5.00       #
#   50 ASP  HA     50 ASP  QB      5.00       #
   50 ASP  HA     51 ALA  H       5.00       #
   50 ASP  QB     51 ALA  H       3.50       #
   50 ASP  QB     51 ALA  HA      5.00       #
   50 ASP  QB     51 ALA  QB      5.00       #

#A51
   51 ALA  H      51 ALA  HA      5.00       #
   51 ALA  H      51 ALA  QB      5.00       #
   51 ALA  H      52 THR  H       2.90       #
   51 ALA  H      52 THR  HB      5.00       #
#   51 ALA  HA     51 ALA  QB      5.00       #
   51 ALA  HA     52 THR  H       5.00       #
   51 ALA  QB     52 THR  H       5.00       #
   51 ALA  QB     52 THR  HA      5.00       #

#T52
   52 THR  H      52 THR  HA      5.00       #
   52 THR  H      52 THR  HB      3.50       #
   52 THR  H      52 THR  QG2     5.00       #
   52 THR  H      53 THR  H       5.00       #
#   52 THR  HA     52 THR  HB      5.00       #
   52 THR  HA     52 THR  QG2     5.00       #
   52 THR  HA     53 THR  H       2.90       #
#   52 THR  HB     52 THR  QG2     5.00       #
   52 THR  HB     53 THR  H       5.00       #
   52 THR  QG2    53 THR  H       5.00       #
   52 THR  QG2    54 VAL  HA      5.00       #

#T53
   53 THR  H      53 THR  HA      5.00       #
   53 THR  H      53 THR  HB      3.50       #
   53 THR  H      53 THR  QG2     5.00       #
#   53 THR  H      54 VAL  H       5.00       #
   53 THR  H      54 VAL  QQG     5.00       #
#   53 THR  HA     53 THR  HB      5.00       #
   53 THR  HA     53 THR  QG2     5.00       #
   53 THR  HA     54 VAL  H       2.90       #
   53 THR  HA     54 VAL  HB      5.00       #
   53 THR  HA     54 VAL  QQG     5.00       #
#   53 THR  HB     53 THR  QG2     5.00       #
   53 THR  HB     54 VAL  H       5.00       #
   53 THR  QG2    54 VAL  H       5.00       #

#V54
   54 VAL  H      54 VAL  HA      5.00       #
   54 VAL  H      54 VAL  HB      5.00       #
   54 VAL  H      54 VAL  QG1     5.00       #
   54 VAL  H      54 VAL  QG2     5.00       #
   54 VAL  H      55 LYS  QG      5.00       #
#   54 VAL  HA     54 VAL  HB      5.00       #
   54 VAL  HA     54 VAL  QG1     5.00       #
   54 VAL  HA     54 VAL  QG2     5.00       #
   54 VAL  HA     55 LYS  H       2.90       #
   54 VAL  HA     55 LYS  QG      5.00       #
#   54 VAL  HB     54 VAL  QG1     5.00       #
#   54 VAL  HB     54 VAL  QG2     5.00       #
   54 VAL  HB     55 LYS  H       5.00       #
#   54 VAL  QQG    54 VAL  QQG     5.00       #
   54 VAL  QG1    55 LYS  H       5.00       #
   54 VAL  QQG    55 LYS  H       5.00       #
   54 VAL  QQG    55 LYS  QG      5.00       #
   54 VAL  QQG    58 ASP  H       5.00       #
   54 VAL  QQG    58 ASP  HB2     5.00       #
   54 VAL  QQG    58 ASP  HB3     5.00       #

#K55
   55 LYS  H      55 LYS  HA      5.00       #
   55 LYS  H      55 LYS  HB2     5.00       #
   55 LYS  H      55 LYS  HB3     5.00       #
   55 LYS  H      55 LYS  HG2     5.00       #
   55 LYS  H      55 LYS  HG3     5.00       #
   55 LYS  H      56 ASP  H       5.00       #
   55 LYS  H      58 ASP  H       5.00       #
   55 LYS  H      58 ASP  HB2     5.00       #
   55 LYS  H      58 ASP  HB3     5.00       #
#   55 LYS  HA     55 LYS  HB2     3.50       #
#   55 LYS  HA     55 LYS  HB3     3.50       #
   55 LYS  HA     55 LYS  HG2     5.00       #
   55 LYS  HA     55 LYS  HG3     5.00       #
   55 LYS  HA     56 ASP  H       5.00       #
   55 LYS  HA     56 ASP  HB2     5.00       #
   55 LYS  HA     56 ASP  HB3     5.00       #
#   55 LYS  HB2    55 LYS  HG2     5.00       #
#   55 LYS  HB2    55 LYS  HG3     5.00       #
#   55 LYS  HB3    55 LYS  HG2     5.00       #
#   55 LYS  HB3    55 LYS  HG3     5.00       #
   55 LYS  HB2    56 ASP  H       5.00       #
   55 LYS  HB3    56 ASP  H       5.00       #
   55 LYS  HB2    56 ASP  QB      5.00       #
   55 LYS  HB3    56 ASP  QB      5.00       #
   55 LYS  HB3    56 ASP  QB      5.00       #
#   55 LYS  QG     55 LYS  QD      5.00       #
   55 LYS  HG2    55 LYS  QE      5.00       #
   55 LYS  HG3    55 LYS  QE      5.00       #
   55 LYS  HG2    56 ASP  H       5.00       #
   55 LYS  HG3    56 ASP  H       5.00       #
#   55 LYS  QD     55 LYS  QE      5.00       #

#D56
   56 ASP  H      56 ASP  HA      3.50       #
   56 ASP  H      56 ASP  HB2     3.50       #
   56 ASP  H      56 ASP  HB3     3.50       #
   56 ASP  H      57 GLY  H       5.00       #
#   56 ASP  HA     56 ASP  HB2     5.00       #
#   56 ASP  HA     56 ASP  HB3     5.00       #
   56 ASP  HA     57 GLY  H       3.50       #
   56 ASP  HA     57 GLY  QA      5.00       #
   56 ASP  HA     58 ASP  H       5.00       #
   56 ASP  HB2    57 GLY  H       5.00       #
   56 ASP  HB3    57 GLY  H       5.00       #

#G57
   57 GLY  H      57 GLY  HA2     3.50       #
   57 GLY  H      57 GLY  HA3     3.50       #
   57 GLY  H      58 ASP  H       5.00       #
   57 GLY  H      58 ASP  HB2     5.00       #
   57 GLY  H      58 ASP  HB3     5.00       #
   57 GLY  HA2    58 ASP  H       5.00       #
   57 GLY  HA3    58 ASP  H       5.00       #

#D58
   58 ASP  H      58 ASP  HA      5.00       #
   58 ASP  H      58 ASP  HB2     5.00       #
   58 ASP  H      58 ASP  HB3     5.00       #
   58 ASP  H      59 ALA  H       5.00       #
#   58 ASP  HA     58 ASP  HB2     5.00       #
#   58 ASP  HA     58 ASP  HB3     5.00       #
   58 ASP  HA     59 ALA  H       2.90       #
   58 ASP  HA     59 ALA  QB      5.00       #
   58 ASP  HB2    59 ALA  H       5.00       #
   58 ASP  HB3    59 ALA  H       5.00       #

#A59
   59 ALA  H      59 ALA  HA      5.00       #
   59 ALA  H      59 ALA  QB      5.00       #
#   59 ALA  H      60 VAL  H       5.00       #
#   59 ALA  HA     59 ALA  QB      5.00       #
   59 ALA  HA     60 VAL  H       5.00       #
   59 ALA  HA     60 VAL  QG1     5.00       #
   59 ALA  QB     60 VAL  H       5.00       #

#V60
   60 VAL  H      60 VAL  HA      5.00       #
   60 VAL  H      60 VAL  HB      5.00       #
   60 VAL  H      60 VAL  QG1     5.00       #
   60 VAL  H      60 VAL  QG2     5.00       #
#   60 VAL  HA     60 VAL  HB      5.00       #
   60 VAL  HA     60 VAL  QG1     5.00       #
   60 VAL  HA     60 VAL  QG2     5.00       #
   60 VAL  HA     61 GLU  H       5.00       #
   60 VAL  HA     61 GLU  HA      5.00       #
#   60 VAL  HB     60 VAL  QG1     5.00       #
#   60 VAL  HB     60 VAL  QG2     5.00       #
   60 VAL  HB     61 GLU  H       5.00       #
#   60 VAL  QG1    60 VAL  QG2     5.00       #
   60 VAL  QG1    61 GLU  H       5.00       #
   60 VAL  QG2    61 GLU  H       5.00       #
   60 VAL  QG2    62 PHE  HA      5.00       #
   60 VAL  QG2    62 PHE  HB2     5.00       #
   60 VAL  QG2    62 PHE  HB3     5.00       #
   60 VAL  QG1    62 PHE  QD      5.00       #
   60 VAL  QG2    62 PHE  QD      5.00       #
   60 VAL  QG2    62 PHE  QE      5.00       #

#E61
   61 GLU  H      61 GLU  HA      5.00       #
   61 GLU  H      61 GLU  HB2     5.00       #
   61 GLU  H      61 GLU  HB3     5.00       #
#   61 GLU  HA     61 GLU  HB2     5.00       #
#   61 GLU  HA     61 GLU  HB3     5.00       #
   61 GLU  HA     61 GLU  HG2     5.00       #
   61 GLU  HA     61 GLU  HG3     5.00       #
   61 GLU  HA     62 PHE  H       2.90       #
#   61 GLU  HB2    61 GLU  HG2     5.00       #
#   61 GLU  HB2    61 GLU  HG3     5.00       #
#   61 GLU  HB3    61 GLU  HG2     5.00       #
#   61 GLU  HB3    61 GLU  HG3     5.00       #
   61 GLU  HB2    62 PHE  H       5.00       #
   61 GLU  HB3    62 PHE  H       5.00       #
   61 GLU  QB     63 LEU  QD1     5.00       #
   61 GLU  QB     63 LEU  QD2     5.00       #
   61 GLU  HG2    62 PHE  H       5.00       #
   61 GLU  HG3    62 PHE  H       5.00       #
   61 GLU  HG2    63 LEU  QQD     5.00       #
   61 GLU  HG3    63 LEU  QQD     5.00       #

#F62
   62 PHE  H      62 PHE  HA      5.00       #
   62 PHE  H      62 PHE  HB2     5.00       #
   62 PHE  H      62 PHE  HB3     5.00       #
   62 PHE  H      62 PHE  QD      5.00       #
#   62 PHE  HA     62 PHE  HB2     5.00       #
#   62 PHE  HA     62 PHE  HB3     5.00       #
   62 PHE  HA     62 PHE  QD      5.00       #
   62 PHE  HA     62 PHE  QE      5.00       #
   62 PHE  HA     63 LEU  H       3.50       #
   62 PHE  HA     63 LEU  HG      5.00       #
   62 PHE  HB2    62 PHE  QD      5.00       #
   62 PHE  HB3    62 PHE  QD      5.00       #
   62 PHE  QB     62 PHE  QE      5.00       #
   62 PHE  HB2    63 LEU  H       5.00       #
   62 PHE  HB3    63 LEU  H       5.00       #
#   62 PHE  QD     62 PHE  HZ      5.00       #
   62 PHE  QD     63 LEU  H       5.00       #
   62 PHE  QD     63 LEU  HA      5.00       #
#   62 PHE  QE     62 PHE  HZ      5.00       #

#L63
   63 LEU  H      63 LEU  HA      5.00       #
   63 LEU  H      63 LEU  HB2     5.00       #
   63 LEU  H      63 LEU  HB3     5.00       #
   63 LEU  H      63 LEU  HG      5.00       #
   63 LEU  H      63 LEU  QQD     5.00       #
   63 LEU  H      63 LEU  QQD     5.00       #
#   63 LEU  HA     63 LEU  HB2     5.00       #
#   63 LEU  HA     63 LEU  HB3     5.00       #
   63 LEU  HA     63 LEU  HG      5.00       #
   63 LEU  HA     63 LEU  QD1     5.00       #
   63 LEU  HA     63 LEU  QD2     5.00       #
   63 LEU  HA     64 TYR  H       3.50       #
   63 LEU  HA     64 TYR  QD      5.00       #
#   63 LEU  HB2    63 LEU  HG      5.00       #
#   63 LEU  HB3    63 LEU  HG      5.00       #
   63 LEU  HB2    63 LEU  QD1     5.00       #
   63 LEU  HB2    63 LEU  QD2     5.00       #
   63 LEU  HB3    63 LEU  QD1     5.00       #
   63 LEU  HB3    63 LEU  QD2     5.00       #
   63 LEU  HB2    64 TYR  H       5.00       #
   63 LEU  HB3    64 TYR  H       5.00       #
   63 LEU  QB     64 TYR  QD      5.00       #
   63 LEU  QB     65 PHE  QD      5.00       #
#   63 LEU  HG     63 LEU  QD1     5.00       #
#   63 LEU  HG     63 LEU  QD2     5.00       #
   63 LEU  HG     64 TYR  H       5.00       #
   63 LEU  HG     65 PHE  H       5.00       #
#   63 LEU  QQD    63 LEU  QQD     5.00       #
   63 LEU  QQD    64 TYR  H       5.00       #
   63 LEU  QQD    64 TYR  QD      5.00       #
   63 LEU  QQD    64 TYR  QD      5.00       #
   63 LEU  QQD    64 TYR  QE      5.00       #
   63 LEU  QQD    65 PHE  H       5.00       #

#Y64
   64 TYR  H      64 TYR  HA      5.00       #
   64 TYR  H      64 TYR  HB2     5.00       #
   64 TYR  H      64 TYR  HB3     5.00       #
   64 TYR  H      64 TYR  QD      5.00       #
   64 TYR  H      64 TYR  QE      5.00       #
   64 TYR  H      65 PHE  H       2.90       #
#   64 TYR  HA     64 TYR  HB2     5.00       #
#   64 TYR  HA     64 TYR  HB3     5.00       #
   64 TYR  HA     64 TYR  QD      5.00       #
   64 TYR  HA     65 PHE  H       5.00       #
   64 TYR  HB2    64 TYR  QD      5.00       #
   64 TYR  HB3    64 TYR  QD      5.00       #
   64 TYR  QB     64 TYR  QE      5.00       #
   64 TYR  HB2    65 PHE  H       5.00       #
   64 TYR  HB3    65 PHE  H       5.00       #
#   64 TYR  QD     64 TYR  QE      5.00       #
   64 TYR  QD     65 PHE  H       5.00       #

#F65
   65 PHE  H      65 PHE  HA      5.00       #
   65 PHE  H      65 PHE  HB2     5.00       #
   65 PHE  H      65 PHE  HB3     5.00       #
   65 PHE  H      65 PHE  QD      5.00       #
#   65 PHE  HA     65 PHE  HB2     5.00       #
#   65 PHE  HA     65 PHE  HB3     5.00       #
   65 PHE  HA     65 PHE  QD      5.00       #
   65 PHE  HA     66 MET  H       3.50       #
   65 PHE  HA     66 MET  HA      5.00       #
   65 PHE  HB2    65 PHE  QD      5.00       #
   65 PHE  HB3    65 PHE  QD      5.00       #
   65 PHE  HB2    66 MET  H       5.00       #
   65 PHE  HB3    66 MET  H       5.00       #
#   65 PHE  QD     65 PHE  HZ      5.00       #
   65 PHE  QD     66 MET  H       5.00       #

#M66
   66 MET  H      66 MET  HA      5.00       #
   66 MET  H      66 MET  HB2     5.00       #
   66 MET  H      66 MET  HB3     5.00       #
   66 MET  H      66 MET  HG2     5.00       #
   66 MET  H      66 MET  HG3     5.00       #
   66 MET  H      67 GLY  H       5.00       #
#   66 MET  HA     66 MET  HB2     5.00       #
#   66 MET  HA     66 MET  HB3     5.00       #
   66 MET  HA     66 MET  HG2     5.00       #
   66 MET  HA     66 MET  HG3     5.00       #
   66 MET  HA     67 GLY  H       5.00       #
   66 MET  HA     67 GLY  QA      5.00       #
#   66 MET  HB2    66 MET  HG2     5.00       #
#   66 MET  HB2    66 MET  HG3     5.00       #
#   66 MET  HB3    66 MET  HG2     5.00       #
#   66 MET  HB3    66 MET  HG3     5.00       #
   66 MET  HB2    67 GLY  H       5.00       #
   66 MET  HB3    67 GLY  H       5.00       #

#G67
   67 GLY  H      67 GLY  QA      3.50       #
   67 GLY  H      68 GLY  QA      3.50       #
   67 GLY  QA     68 GLY  H       2.90       #

#G68
   68 GLY  H      68 GLY  QA      3.50       #
   68 GLY  QA     69 GLY  H       3.50       #
   68 GLY  QA     70 LYS  H       5.00       #

#G69
   69 GLY  H      69 GLY  QA      2.90       #
   69 GLY  QA     70 LYS  H       3.50       #

#K70
   70 LYS  H      70 LYS  HA      5.00       #
   70 LYS  H      70 LYS  HB2     5.00       #
   70 LYS  H      70 LYS  HB3     5.00       #
   70 LYS  H      70 LYS  QG      5.00       #
#   70 LYS  HA     70 LYS  HB2     3.50       #
#   70 LYS  HA     70 LYS  HB3     3.50       #
   70 LYS  HA     70 LYS  QG      5.00       #
   70 LYS  HA     70 LYS  QD      5.00       #
   70 LYS  HA     71 LEU  H       2.90       #
   70 LYS  HA     71 LEU  QQD     5.00       #
#   70 LYS  HB2    70 LYS  QG      5.00       #
#   70 LYS  HB3    70 LYS  QG      5.00       #
   70 LYS  HB2    71 LEU  H       5.00       #
   70 LYS  HB3    71 LEU  H       5.00       #
#   70 LYS  QG     70 LYS  QD      5.00       #
   70 LYS  QG     70 LYS  QE      5.00       #
#   70 LYS  QD     70 LYS  QE      5.00       #

#L71
   71 LEU  H      71 LEU  HA      5.00       #
   71 LEU  H      71 LEU  HB2     5.00       #
   71 LEU  H      71 LEU  HB3     5.00       #
   71 LEU  H      71 LEU  HG      5.00       #
#   71 LEU  HA     71 LEU  HB2     5.00       #
#   71 LEU  HA     71 LEU  HB3     5.00       #
   71 LEU  HA     71 LEU  HG      5.00       #
   71 LEU  HA     71 LEU  QQD     5.00       #
   71 LEU  HA     72 GLU  H       2.90       #
#   71 LEU  QB     71 LEU  HG      5.00       #
   71 LEU  QB     71 LEU  QD1     5.00       #
   71 LEU  QB     71 LEU  QD2     5.00       #
   71 LEU  QB     71 LEU  QD1     5.00       #
   71 LEU  QB     72 GLU  H       5.00       #
   71 LEU  QB     72 GLU  H       5.00       #
#   71 LEU  HG     71 LEU  QD1     5.00       #
#   71 LEU  HG     71 LEU  QD2     5.00       #

#E72
   72 GLU  H      72 GLU  HA      5.00       #
   72 GLU  H      72 GLU  HB2     5.00       #
   72 GLU  H      72 GLU  HB3     5.00       #
#   72 GLU  HA     72 GLU  HB2     5.00       #
#   72 GLU  HA     72 GLU  HB3     5.00       #
   72 GLU  HA     72 GLU  HG2     5.00       #
   72 GLU  HA     72 GLU  HG3     5.00       #
   72 GLU  HA     73 HIS  H       5.00       #

#H73
   73 HIS  H      73 HIS  HA      5.00       #
   73 HIS  H      73 HIS  HB2     5.00       #
   73 HIS  H      73 HIS  HB3     5.00       #
   73 HIS  H      74 HIS  H       5.00       #
#   73 HIS  HA     73 HIS  HB2     3.50       #
#   73 HIS  HA     73 HIS  HB3     3.50       #
   73 HIS  HA     74 HIS  H       5.00       #


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Monday, April 29, 2024 7:40:44 AM GMT (wattos1)