NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
3816 1e8j cing 1-original 1 DYANA/DIANA peak


## LOV constraints

 48 ALA          HN     48 ALA  QB   118044.45
 16 ALA          HN     16 ALA  QB   169222.23
 16 ALA          HN     16 ALA  HA    56888.89
 14 ASP          HN     14 ASP  HB2   47222.22
 33 LEU          HN     33 LEU  HA    54527.78
 10 GLY          HA1    10 GLY  HN    78733.34
 46 LYS          HA     46 LYS  HN    68000.00
 33 LEU          HA     33 LEU  HB3   85855.00
 33 LEU          QD2    33 LEU  HB3   93865.00
 33 LEU          QD1    33 LEU  HB2   92765.00
 33 LEU          QD1    33 LEU  HB3   57470.00
 33 LEU          QD2    33 LEU  HB2   31185.00
  4 TYRF         HA      4 TYRF HN    48016.67
 47 ASP          HA     47 ASP  HN    49022.22
 49 PHEF         HA     49 PHEF HN   138433.34
 37 TRP          HA     37 TRP  HN    48733.34
 43 GLY          HA2    43 GLY  HN    84683.34
 45 SER          HB3    45 SER  HN    43183.34
  7 THR          HA      7 THR  HN    52828.89
 29 LYS          HA     29 LYS  HN  2857843.50
 11 TYRF         HA     11 TYRF HN   108083.34
  8 VAL          HA      8 VAL  HN    51066.67
 28 THR          HB     28 THR  HN   129344.45
 28 THR          HB     28 THR  HG1  153805.56
 23 GLY          HA2    23 GLY  HN  1356666.75
 18 GLY          HA1    18 GLY  HN  1678061.25
 10 GLY          HA2    10 GLY  HN   174366.67
 43 GLY          HA1    43 GLY  HN   160400.00
 18 GLY          HA2    18 GLY  HN    39988.89
 49 PHEF         HB2    49 PHEF HN   132900.00
 39 CYSS         HA     39 CYSS HN   271944.47
 42 CYSS         HB2    42 CYSS HN    17911.11
  9 CYSS         HB2     9 CYSS HN    11615.56
 11 TYRF         HB2    11 TYRF HN   292666.69
 13 TYRF         HB2    13 TYRF HN   142722.23
  6 CYSS         HB3     6 CYSS HN   276888.91
 39 CYSS         HB3    39 CYSS HN    97877.78
 25 LYS          HA     25 LYS  HN    66583.34
 19 ASP          HB3    19 ASP  HN    29450.00
 37 TRP          HB2    37 TRP  HN   103283.34
  6 CYSS         HA     49 PHEF HA   106000.00
 32 ASP          HB3    32 ASP  HN    20200.00
 37 TRP          HB3    37 TRP  HN   117055.56
  6 CYSS         HB2    10 GLY  HN    13887.22
  9 CYSS         HB3     9 CYSS HN    82338.89
  8 VAL          HB      8 VAL  HN    96500.01
  6 CYSS         HA      6 CYSS HN    55005.56
  6 CYSS         HB2     6 CYSS HN   111350.01
 42 CYSS         HB3    42 CYSS HN    64922.23
  4 TYRF         HB2     4 TYRF HN    84205.56
  4 TYRF         HB3     4 TYRF HN    14998.89
 49 PHEF         HB3    49 PHEF HN    38922.22
 32 ASP          HB2    32 ASP  HN   103022.23
 47 ASP          HB3    47 ASP  HN    18266.67
 50 GLU          HG2    50 GLU  HN     6268.33
 29 LYS          HB2    29 LYS  HN    29638.89
 50 GLU          HB2    50 GLU  HN    12202.78
 46 LYS          HB3    46 LYS  HN    91711.12
 24 ILE          HB     24 ILE  HN   118561.12
 17 LYS          HB2    17 LYS  HN  1124616.75
 49 PHEF         HB3    49 PHEF HA    85445.00
 50 GLU          HB3    50 GLU  HN    33166.67
 25 LYS          HG2    25 LYS  HN    32894.45
 12 GLU          HB2    12 GLU  HN    47111.11
 12 GLU          HB3    12 GLU  HN    23689.45
 24 ILE          HG12   24 ILE  HN    55366.67
 25 LYS          HB2    25 LYS  HN   107288.89
 25 LYS          HB3    25 LYS  HN    63877.78
 46 LYS          HB2    46 LYS  HN    73727.78
 29 LYS          HD2    29 LYS  HN   127516.67
 29 LYS          HG2    29 LYS  HN   109161.12
 44 ALA          QB     44 ALA  HN   115833.34
 51 LYS          HB2    51 LYS  HN    36138.89
 24 ILE          HG13   24 ILE  HN    18114.45
 28 THR          QG2    28 THR  HG1   29200.00
 28 THR          QG2    28 THR  HN    16994.45
  3 ILE          HG12    4 TYRF HN    58877.78
 46 LYS          HG3    46 LYS  HN     8417.78
  8 VAL          QG2     8 VAL  HN    97727.78
 24 ILE          QG2    19 ASP  HN    56461.11
 24 ILE          QG2    24 ILE  HN    11083.89
 24 ILE          QD1    24 ILE  HN    11525.56
 33 LEU          HG     33 LEU  HN   107405.56
 33 LEU          HB2    33 LEU  HN   132944.45
 38 ALA          QB     38 ALA  HN    77238.89
 33 LEU          HB3    33 LEU  HN    25950.00
 33 LEU          HB2    34 FPR  HD2   24230.00
 24 ILE          QD1    34 FPR  HD2   49765.00
 33 LEU          QD2    33 LEU  HN    13314.45
 33 LEU          QD1    33 LEU  HN    15185.56
 33 LEU          QD1    33 LEU  HA    12090.50
 33 LEU          QD2    33 LEU  HA   108900.00
 46 LYS          HD2    46 LYS  HN     8775.00
  5 VAL          HB      5 VAL  HN    52422.23
 37 TRP          HB3    37 TRP  HD1   13880.00
 37 TRP          HB2    37 TRP  HD1   59805.00
 39 CYSS         HB2    39 CYSS HN   119622.23
 41 VAL          HA     41 VAL  HN    38977.78
  6 CYSS         HB3    10 GLY  HN    81611.12
  5 VAL          QG2     5 VAL  HN    55533.89
  6 CYSS         HB3    49 PHEF HZ    31795.00
 39 CYSS         HB2    49 PHEF HZ   116230.00
 39 CYSS         HB2    49 PHEF HQE1 188800.00
  6 CYSS         HB3    49 PHEF HE1   51490.00
 30 PHEF         HA     33 LEU  HN    31566.67
 37 TRP          HZ3    30 PHEF HQE1  43555.00
 30 PHEF         HQD1    4 TYRF HQD1  22185.00
 30 PHEF         HD1     4 TYRF HQE1  22940.00
 37 TRP          HZ3    49 PHEF HD1    6997.00
 37 TRP          HZ3    49 PHEF HE1   26850.00
 37 TRP          HZ3    49 PHEF HZ    22220.00
 30 PHEF         HQD1   13 TYRF HQD2  71340.00
 30 PHEF         HD1    49 PHEF HD1   13316.50
 30 PHEF         HE1    49 PHEF HD1   22770.00
  4 TYRF         HQD2   49 PHEF HQD2  10338.00
 28 THR          HG1    28 THR  HN    65746.92
 37 TRP          HH2    49 PHEF HZ    44975.00
 11 TYRF         HQE2   49 PHEF HZ    29800.00
 37 TRP          HE3    49 PHEF HE1    6412.50
 30 PHEF         HE1    49 PHEF HE1    9474.00
 19 ASP          HB3    37 TRP  HE1   16322.22
 24 ILE          HG13   37 TRP  HE1   18110.56
 24 ILE          QD1    37 TRP  HE1    4504.44
 33 LEU          QD2    37 TRP  HE1   18165.00
 29 LYS          HE2    29 LYS  HN     1040.00
 41 VAL          HB     41 VAL  HN   109227.78
 41 VAL          QG2    41 VAL  HN    54650.00
 31 GLU          HA     32 ASP  HN    22233.33
 13 TYRF         HE1    13 TYRF HH   156150.00
  4 TYRF         HB3     4 TYRF HQD2 127050.00
  4 TYRF         HB2     4 TYRF HD1  236880.00
  4 TYRF         HA      5 VAL  HN   272666.69
  5 VAL          HA      6 CYSS HN   390036.69
  6 CYSS         HA      7 THR  HN   372666.69
  7 THR          HA      8 VAL  HN    32066.67
 49 PHEF         HA     50 GLU  HN   136000.00
 10 GLY          HA2    11 TYRF HN    38816.67
 10 GLY          HA1    11 TYRF HN    37133.34
 18 GLY          HA2    19 ASP  HN  1497722.25
 18 GLY          HA1    19 ASP  HN    95250.01
 17 LYS          HN     16 ALA  HN   115944.45
 17 LYS          HN     18 GLY  HN   197135.81
 44 ALA          HA     44 ALA  HN    87816.67
 43 GLY          HA2    44 ALA  HN    46666.67
 43 GLY          HA1    44 ALA  HN    25100.00
 43 GLY          HN     44 ALA  HN    62030.87
 43 GLY          HN     42 CYSS HN   178271.62
 45 SER          HN     44 ALA  HN     9790.12
 44 ALA          HA     45 SER  HN   240672.80
 46 LYS          HA     47 ASP  HN    33333.34
 47 ASP          HN     46 LYS  HN    36864.20
 27 GLY          HA2    28 THR  HN    21940.56
  8 VAL          HA      9 CYSS HN    23950.00
  9 CYSS         HA     10 GLY  HN    23833.33
 24 ILE          HA     25 LYS  HN   203500.02
 37 TRP          HA     38 ALA  HN   176083.34
 38 ALA          HA     39 CYSS HN   225500.02
  4 TYRF         HQD1    4 TYRF HN    46122.22
  4 TYRF         HQE1    4 TYRF HN    12291.11
  4 TYRF         HA      4 TYRF HQD1  31485.00
  5 VAL          HA     13 TYRF HN    44100.00
 49 PHEF         HQD2   13 TYRF HN    26466.67
 49 PHEF         HQE2   13 TYRF HN    31772.22
 49 PHEF         HQE2    6 CYSS HN    27188.89
 49 PHEF         HQD2    6 CYSS HN    40927.78
 10 GLY          HN     11 TYRF HN    75092.60
  3 ILE          QG2    13 TYRF HN    47316.67
  8 VAL          HB      9 CYSS HN   107005.56
 39 CYSS         HB3    44 ALA  HN   163166.67
 39 CYSS         HB2    44 ALA  HN    36722.22
  6 CYSS         HB3     9 CYSS HN    40177.78
  8 VAL          QG1     9 CYSS HN    37500.00
 28 THR          QG2    29 LYS  HN    39394.45
 33 LEU          QD2    13 TYRF HH    98935.00
 28 THR          HB     13 TYRF HH   178195.00
 28 THR          QG2    13 TYRF HH    23295.00
 28 THR          HN     27 GLY  HN    71154.33
 49 PHEF         HQE1   39 CYSS HN    42461.11
  7 THR          HN      8 VAL  HN    65376.55
 18 GLY          HA1    13 TYRF HQE1  61090.00
 15 FPR          HA     13 TYRF HH    76536.50
 15 FPR          HA     13 TYRF HQE2  95105.00
  4 TYRF         HA     52 GLN  HN   209000.02
 49 PHEF         HA      7 THR  HN    52622.23
 46 LYS          HA     49 PHEF HQD1 140070.00
 49 PHEF         HA     49 PHEF HD1   49344.50
  5 VAL          HA     49 PHEF HQD2  37545.00
 49 PHEF         HQD1   49 PHEF HN   105138.89
 38 ALA          HA     37 TRP  HE3   30750.00
 46 LYS          HA     30 PHEF HZ    49545.00
 49 PHEF         HB2    30 PHEF HZ   123960.00
 49 PHEF         HB3    30 PHEF HZ    22505.00
 46 LYS          HG3    30 PHEF HZ    35510.00
 46 LYS          HG2    30 PHEF HZ    45920.00
 39 CYSS         HA     37 TRP  HH2   25340.00
  6 CYSS         HB2    49 PHEF HZ    71215.00
  6 CYSS         HB2    49 PHEF HE1   80590.00
 49 PHEF         HB2    49 PHEF HD1  108305.00
 49 PHEF         HB3    49 PHEF HD1  258000.00
  4 TYRF         HB3    49 PHEF HQD2 144055.00
  4 TYRF         HB2    49 PHEF HD1  258000.00
  6 CYSS         HA     49 PHEF HD1   14945.00
 48 ALA          QB     49 PHEF HQD1  28015.00
 48 ALA          QB      8 VAL  HN    15460.56
 48 ALA          QB      7 THR  HN    41933.34
 49 PHEF         HB2     4 TYRF HQD2  53460.00
 49 PHEF         HB3    30 PHEF HQE1  29980.00
 46 LYS          HG2    30 PHEF HQE1  30420.00
 46 LYS          HB3    37 TRP  HE3   12765.00
 46 LYS          HB2    37 TRP  HE3   45565.00
 33 LEU          QD1    37 TRP  HE3   18350.00
 46 LYS          HG3    37 TRP  HE3   45470.00
 46 LYS          HD2    37 TRP  HE3   11048.50
 37 TRP          HB3    37 TRP  HE3   76915.00
 37 TRP          HB2    37 TRP  HE3   14785.00
 33 LEU          QD1    13 TYRF HD1   18130.00
 33 LEU          QD1    37 TRP  HH2   10412.50
 33 LEU          QD1    30 PHEF HQD1  79965.00
 33 LEU          QD1    37 TRP  HZ3    9790.00
 33 LEU          QD2    13 TYRF HQE1  35785.00
 33 LEU          QD2    13 TYRF HQD1   9134.50
 24 ILE          QG2    13 TYRF HQE1  41215.00
 24 ILE          QG2    28 THR  HG1   37883.34
 24 ILE          QG2    28 THR  HN    25083.33
 28 THR          HG1    25 LYS  HN    70666.67
 33 LEU          QD2    37 TRP  HD1   10790.00
 24 ILE          QD1    37 TRP  HD1   16750.00
 24 ILE          HG13   37 TRP  HD1   26805.00
 30 PHEF         HB3    30 PHEF HQD2 172050.00
  4 TYRF         HB2    30 PHEF HQD1  73760.00
 30 PHEF         HB2    30 PHEF HQD1  81675.00
 30 PHEF         HA     30 PHEF HQD1  60720.00
 31 GLU          HA     30 PHEF HQD2  26156.00
  4 TYRF         HB3    30 PHEF HQD1  24690.00
 30 PHEF         HB3     4 TYRF HQE1  36275.00
 30 PHEF         HB3     4 TYRF HQD1  28035.00
 30 PHEF         HB2     4 TYRF HQE1  47040.00
 30 PHEF         HB2     4 TYRF HQD1  58250.00
 30 PHEF         HB3    13 TYRF HQE2  60255.00
 30 PHEF         HB2    13 TYRF HQE2  10493.00
 24 ILE          HB     13 TYRF HQE1  23663.50
 19 ASP          HB3    13 TYRF HQE1  35095.50
 19 ASP          HB2    13 TYRF HQE1  38435.00
 30 PHEF         HA     13 TYRF HQE2  36580.00
 18 GLY          HA2    13 TYRF HQE1   7239.50
 29 LYS          HA     13 TYRF HQE2  35775.00
 11 TYRF         HB2    11 TYRF HQD1 338450.00
  6 CYSS         HB3    11 TYRF HQD2  24040.00
 40 FPR          HD2    11 TYRF HQE2  48160.00
 13 TYRF         HB2    11 TYRF HQE2 116550.00
 11 TYRF         HA     11 TYRF HQD1 118650.00
 39 CYSS         HA     49 PHEF HZ    85375.00
 39 CYSS         HA     49 PHEF HQE1  37304.00
 39 CYSS         HB3    43 GLY  HN   112000.01
 39 CYSS         HB2    43 GLY  HN    12361.11
 30 PHEF         HB3    13 TYRF HQD2  24471.00
 30 PHEF         HB2    13 TYRF HQD2  65040.00
 49 PHEF         HB3    50 GLU  HN    32227.78
 24 ILE          HB     19 ASP  HN   163388.89
 48 ALA          QB     45 SER  HN    12533.33
 39 CYSS         HB3    42 CYSS HN    45111.11
 39 CYSS         HB2    42 CYSS HN    17120.56
 13 TYRF         HB2    37 TRP  HH2  414135.00
 17 LYS          HB2    14 ASP  HN    35755.56
 24 ILE          QG2    25 LYS  HN    58577.78
 33 LEU          QD2    34 FPR  HD2   60030.00
 33 LEU          HB3    34 FPR  HD2   83805.00
 33 LEU          QD1    30 PHEF HA   106800.00
 33 LEU          HB3    37 TRP  HB2   27435.00
 33 LEU          HB3    37 TRP  HB3   39485.00
 33 LEU          QD2    24 ILE  QG2  165050.00
 33 LEU          QD2    24 ILE  HG13 389955.00
 33 LEU          QD2    28 THR  QG2   78440.00
 10 GLY          HN      9 CYSS HN   153580.27
 49 PHEF         HQD1   48 ALA  HN    33511.11
 38 ALA          QB     39 CYSS HN    99983.34
  4 TYRF         HN     13 TYRF HN    35135.80
 13 TYRF         HB2     4 TYRF HN    23138.89
 49 PHEF         HB3     4 TYRF HD1  194350.00
 51 LYS          HA      4 TYRF HQD2  24419.00
  4 TYRF         HA      4 TYRF HE1    5257.50
 51 LYS          HB3     4 TYRF HQE2  25405.00
 51 LYS          HG2     4 TYRF HQE2  17723.50
 49 PHEF         HZ      6 CYSS HN     8382.22
  6 CYSS         HA      8 VAL  HN    22150.00
  6 CYSS         HB3     8 VAL  HN    31461.11
  7 THR          QG2     7 THR  HN    66777.78
 10 GLY          HN      8 VAL  HN    15981.48
 44 ALA          QB      8 VAL  HB    59670.00
  9 CYSS         HN     11 TYRF HN    40629.63
 13 TYRF         HB2    30 PHEF HD1   47485.00
 13 TYRF         HQE1   19 ASP  HN     9227.22
 13 TYRF         HQD1   14 ASP  HN    12330.00
 15 FPR          HA     27 GLY  HN     6862.22
  3 ILE          QG2     4 TYRF HN    72844.45
 14 ASP          HB3    17 LYS  HN    40425.00
 16 ALA          HA     27 GLY  HN    38095.00
 16 ALA          QB     17 LYS  HN    48472.22
 17 LYS          HB2    18 GLY  HN    87233.34
 18 GLY          HN     27 GLY  HN    26391.98
 18 GLY          HA2    27 GLY  HN   132402.78
 19 ASP          HB3    24 ILE  HN    29722.22
 24 ILE          QD1    25 LYS  HN    17531.11
 28 THR          QG2    32 ASP  HN    11874.45
 41 VAL          QG2    11 TYRF HQD1  99670.00
 41 VAL          HB     11 TYRF HQD1  13144.50
 32 ASP          HB2    29 LYS  HN    53061.11
 46 LYS          HG3    30 PHEF HE1   88877.50
 46 LYS          HD2    30 PHEF HE1    6495.00
 39 CYSS         HA     41 VAL  HN    30579.45
 42 CYSS         HB2    44 ALA  HN    11547.22
 46 LYS          HA     48 ALA  HN    16433.33
 51 LYS          HA     52 GLN  HN   104983.34
 51 LYS          HG2    52 GLN  HN    29033.33
 37 TRP          HA     37 TRP  HD1   94995.00
 40 FPR          HD3    37 TRP  HZ2   70305.00
 40 FPR          HD3    11 TYRF HQE2  16805.00
 40 FPR          HD3    37 TRP  HH2   20615.00
 40 FPR          HD2    37 TRP  HZ2   22035.50
 40 FPR          HD2    37 TRP  HH2   17830.00
 13 TYRF         HB2    37 TRP  HZ2   19155.00
 41 VAL          QG2    11 TYRF HE1   16975.00
 40 FPR          HG3    37 TRP  HZ2   98969.50
 40 FPR          HG3    11 TYRF HE1   10019.00
 40 FPR          HB2    11 TYRF HE1   22680.00
  7 THR          HN      9 CYSS HN    13197.53
  5 VAL          QG2     6 CYSS HN    48122.22
 41 VAL          HB     42 CYSS HN   116333.34
 40 FPR          HD2    41 VAL  HN    51766.67
 39 CYSS         HB2    41 VAL  HN    14108.89
 40 FPR          HB2    41 VAL  HN    24422.22
 40 FPR          HA     41 VAL  HN    33350.00
 43 GLY          HN     41 VAL  HN    22987.66
 42 CYSS         HN     44 ALA  HN    15781.48
 46 LYS          HA     49 PHEF HQE1  29565.00
 25 LYS          HB3    28 THR  HG1   15594.45
 25 LYS          HB2    28 THR  HG1   11261.11
 44 ALA          QB     39 CYSS HN    16000.00
 44 ALA          QB     49 PHEF HQE1  29320.00
 44 ALA          QB     49 PHEF HQD1   6489.50
 28 THR          QG2    13 TYRF HE1    8949.00
 49 PHEF         HA     49 PHEF HE1    3213.00
 18 GLY          HA1    13 TYRF HH   178195.00
  4 TYRF         HB2     4 TYRF HE1   32910.00
  4 TYRF         HB3     4 TYRF HE1   10438.50
  4 TYRF         HA      4 TYRF HB3  100455.00
  5 VAL          HA      5 VAL  QG2   37740.00
  9 CYSS         HA     11 TYRF HN     8513.33
 13 TYRF         HE1    33 LEU  QD1   49260.00
 49 PHEF         HD1    13 TYRF HB2   41460.00
 13 TYRF         HD1    13 TYRF HB2  286500.00
 19 ASP          HA     19 ASP  HB2   81615.00
 19 ASP          HA     19 ASP  HB3   32430.00
 27 GLY          HN     27 GLY  HA2  153716.67
 31 GLU          HN     30 PHEF HB3   48200.00
 30 PHEF         HE1    33 LEU  QD1   49260.00
 34 FPR          HD3    33 LEU  HB3   18886.50
 34 FPR          HD3    33 LEU  QD2   30295.00
 24 ILE          HG12   33 LEU  QD2    6429.00
 24 ILE          HB     33 LEU  QD2   11427.00
 34 FPR          HD3    24 ILE  QD1   61710.00
 33 LEU          HG     30 PHEF HA   138100.00
 37 TRP          HA     37 TRP  HB2  104925.00
  4 TYRF         HN     13 TYRF HQD2  11263.33
 13 TYRF         HH     13 TYRF HD1   14155.50
 15 FPR          HB2    13 TYRF HQE2  42555.00
 15 FPR          HA     15 FPR  HB2  132585.00
 28 THR          QG2    32 ASP  HB2   90590.00
 28 THR          QG2    32 ASP  HB3   32025.00
 39 CYSS         HA     40 FPR  HD3  228420.00
 33 LEU          HA     33 LEU  HG    80685.00
  4 TYRF         HA     51 LYS  HA    75735.00
 13 TYRF         HB3    13 TYRF HN   202833.34
 13 TYRF         HB3     4 TYRF HN    31183.33
 13 TYRF         HB3    13 TYRF HD1  407400.00
 13 TYRF         HB3    11 TYRF HQE2 151650.00
 46 LYS          HD2    33 LEU  QD1   15085.00
 26 FPR          HB2    27 GLY  HN    18200.00
 46 LYS          HB2    30 PHEF HZ    10181.50
 24 ILE          HA     24 ILE  QD1  159300.00
 24 ILE          HA     24 ILE  QG2  131805.00
 24 ILE          QG2    13 TYRF HH    47610.00
 41 VAL          QG1    42 CYSS HN    28052.22
 41 VAL          QG2    11 TYRF HN    15575.00
  8 VAL          QG2     7 THR  HN    17212.22
  3 ILE          HB      3 ILE  HN   106522.23
 46 LYS          HD2    33 LEU  HB3   23330.00
  3 ILE          HG12   15 FPR  HD3    3592.00
  3 ILE          HG12   15 FPR  HD2   22025.50
 24 ILE          QG2    28 THR  HB   183895.00
  8 VAL          QG1     8 VAL  HA   235595.00
 41 VAL          QG2    41 VAL  HA   157915.00
 41 VAL          QG2    11 TYRF HB2   78775.00
 20 FPR          HA     23 GLY  HN    24050.00
 34 FPR          HB2    37 TRP  HN    35772.22
  6 CYSS         HB2    11 TYRF HQD2  43105.00
 34 FPR          HD2    37 TRP  HD1   22915.00
 39 CYSS         HN     49 PHEF HZ     8298.33
 40 FPR          HD2    49 PHEF HZ    31795.00
  4 TYRF         HQD2    4 TYRF HN    46127.78
 41 VAL          QG2    11 TYRF HQD2  99670.00
 24 ILE          QG2    13 TYRF HQE2  41215.00
 33 LEU          QD1    30 PHEF HQD2  79965.00
 49 PHEF         HQD2   49 PHEF HN   105138.89
 30 PHEF         HQD1    4 TYRF HQD2  52185.00
 30 PHEF         HQD2    4 TYRF HQD1  52185.00
 30 PHEF         HQD2    4 TYRF HQD2  22185.00
 30 PHEF         HB3     4 TYRF HQD2  28035.00
 30 PHEF         HB2     4 TYRF HQD2  58250.00
  4 TYRF         HQD1   50 GLU  HN    13079.45
  4 TYRF         HQE2    4 TYRF HN    12291.11
 11 TYRF         HA     11 TYRF HQD2 118650.00
 30 PHEF         HB3    13 TYRF HQD1  24381.00
 30 PHEF         HB2    13 TYRF HQD1  65040.00
 30 PHEF         HB3    13 TYRF HQE1  60255.00
 30 PHEF         HB2    13 TYRF HQE1  10493.00
 18 GLY          HA2    13 TYRF HQE2   7239.50
 18 GLY          HA1    13 TYRF HQE2  61090.00
 33 LEU          QD2    13 TYRF HQE2  35785.00
 24 ILE          HB     13 TYRF HQE2  23663.50
 19 ASP          HB3    13 TYRF HQE2  35095.50
 19 ASP          HB2    13 TYRF HQE2  38435.00
 30 PHEF         HA     13 TYRF HQE1  36580.00
 13 TYRF         HQE2   19 ASP  HN     9227.22
 30 PHEF         HQD2    4 TYRF HB3   24690.00
 30 PHEF         HQD2    4 TYRF HB2   73760.00
 30 PHEF         HA     30 PHEF HQD2  60720.00
 31 GLU          HA     30 PHEF HQD1  26156.00
 49 PHEF         HB3    30 PHEF HQE2  29980.00
 49 PHEF         HB2    30 PHEF HQE2  38070.00
 37 TRP          HZ3    30 PHEF HQE2  43555.00
 46 LYS          HG2    30 PHEF HQE2  30420.00
  5 VAL          HA     49 PHEF HQD1  37545.00
  5 VAL          HA     49 PHEF HE1   17910.00
 11 TYRF         HB3    11 TYRF HD1   24040.00
 11 TYRF         HB3    11 TYRF HN   276888.91
  4 TYRF         HA      4 TYRF HQD2  31485.00
 30 PHEF         HB2     4 TYRF HQE2  47040.00
 30 PHEF         HB3     4 TYRF HQE2  36275.00
  6 CYSS         HB2    11 TYRF HQD1  43105.00
  6 CYSS         HB3    11 TYRF HQD1  24040.00
 40 FPR          HD2    11 TYRF HQE1  48160.00
 40 FPR          HD3    11 TYRF HQE1  16805.00
 46 LYS          HA     49 PHEF HQD2 140070.00
 48 ALA          QB     49 PHEF HQD2  28015.00
  4 TYRF         HQD1   49 PHEF HQD1  10338.00
 49 PHEF         HQD1   13 TYRF HN    26466.67
 49 PHEF         HQD1    6 CYSS HN    40927.78
 49 PHEF         HQD1    5 VAL  HN    13539.45
 49 PHEF         HQD2   48 ALA  HN    33511.11
 49 PHEF         HQE1   13 TYRF HN    31772.22
 49 PHEF         HQE1    6 CYSS HN    27188.89
 49 PHEF         HQE2   39 CYSS HN    42461.11
 44 ALA          QB     49 PHEF HQE2  28496.50
 39 CYSS         HA     49 PHEF HQE2  37304.00
 46 LYS          HA     49 PHEF HQE2  29565.00
 33 LEU          QD2    13 TYRF HQD2   9134.50
  4 TYRF         HN     13 TYRF HQD1  11263.33
 30 PHEF         HB3    30 PHEF HQD1 172050.00
 30 PHEF         HB2    30 PHEF HQD2  81675.00
 46 LYS          HG2    46 LYS  HN    91711.12
  8 VAL          QG1     9 CYSS HB3   51820.00
 39 CYSS         HB2    37 TRP  HZ3   14178.00
  4 TYRF         HB3     5 VAL  HN    25361.11
  4 TYRF         HB3    50 GLU  HN    11061.67
 39 CYSS         HA     11 TYRF HQD2  16680.00
  4 TYRF         HB3     4 TYRF HQD1 127050.00
  4 TYRF         HQE1   51 LYS  HG2   17723.50
  4 TYRF         HQE1   51 LYS  HB3   25405.00
 11 TYRF         HB2    11 TYRF HQD2 338450.00
 11 TYRF         HQE1   49 PHEF HZ    29800.00
 30 PHEF         HQD1   13 TYRF HQD1  71340.00
 30 PHEF         HQD2   13 TYRF HQD1  71340.00
 30 PHEF         HQD2   13 TYRF HQD2  85865.50
 15 FPR          HA     13 TYRF HQE1  95105.00
 29 LYS          HA     13 TYRF HQE1  35775.00
 44 ALA          QB     49 PHEF HQD2   6489.50
  4 TYRF         HB3    49 PHEF HQD1 144055.00
 46 LYS          HG3    37 TRP  HZ3    8175.00
 39 CYSS         HB3    43 GLY  HA1   16620.00
 47 ASP          HB2    46 LYS  HN   116333.34
 27 GLY          HN     26 FPR  HB3  100988.89
 39 CYSS         HA     11 TYRF HQD1  16680.00
  8 VAL          QG2    44 ALA  QB   160430.00
 41 VAL          HB     11 TYRF HQD2  13144.50
 39 CYSS         HB3    41 VAL  HN    17255.56
 38 ALA          QB     43 GLY  HA1   51370.00
  9 CYSS         HB2    11 TYRF HN    11363.89
 11 TYRF         HB3    41 VAL  HN    17255.56
  9 CYSS         HB3    10 GLY  HN     9395.00
  2 ASP          HN      2 ASP  HB2   32216.67
  3 ILE          HN      2 ASP  HB2   12420.00
 39 CYSS         HB2    49 PHEF HQE2 188800.00
  3 ILE          HB      4 TYRF HN    11827.78
 12 GLU          HG3     4 TYRF HN     3372.78
  5 VAL          HN     52 GLN  HN    25117.29
 12 GLU          HN      6 CYSS HN    11189.51
 11 TYRF         HB3    12 GLU  HN    14127.78
 12 GLU          HB3    13 TYRF HN    18100.00
 15 FPR          HD3    13 TYRF HQD2  21270.00
 19 ASP          HB3    24 ILE  HB   130300.00
 19 ASP          HB3    24 ILE  HG13  30105.00
 24 ILE          HG12   23 GLY  HN    33333.34
 28 THR          HA     29 LYS  HN  2857843.50
 47 ASP          HB2    48 ALA  HN    18422.22
 51 LYS          HN     50 GLU  HN    27574.08
 51 LYS          HB3    52 GLN  HN    17555.56
 38 ALA          QB     46 LYS  HN    10925.56
 38 ALA          QB     45 SER  HN     5753.89
 13 TYRF         HB3     4 TYRF HD1   12626.00
  4 TYRF         HD1    13 TYRF HD1   23335.00
 13 TYRF         HB2    30 PHEF HE1   32460.00
 50 GLU          HB2    51 LYS  HN    16666.67
  3 ILE          HN      4 TYRF HN    37037.04
  4 TYRF         HQD1    3 ILE  HN     6961.67
  4 TYRF         HQE1    3 ILE  HN     7411.11
  3 ILE          HN      5 VAL  HN    18518.52
  5 VAL          HN      4 TYRF HN    37037.04
  4 TYRF         HQE2    3 ILE  HN     7411.11
 30 PHEF         HD1     4 TYRF HQE2  22940.00
  4 TYRF         HQD2    3 ILE  HN     6961.67
  4 TYRF         HQD1   49 PHEF HQD2  10338.00
  4 TYRF         HQD2   49 PHEF HQD1  10338.00
 15 FPR          HB2    13 TYRF HQE1  42555.00
 19 ASP          HB3    23 GLY  HN    16666.67
 23 GLY          HN     19 ASP  HB2   16666.67
  7 THR          QG2    50 GLU  HN    12222.78
 51 LYS          HA      4 TYRF HQD1  24419.00
  2 ASP          HB2     4 TYRF HQE1  20610.00
 37 TRP          HZ3    39 CYSS HN    10325.00
 37 TRP          HZ3    30 PHEF HZ    12428.00
 15 FPR          HG2     2 ASP  HN    12029.45
 12 GLU          HB2     5 VAL  HA     8047.50
 12 GLU          HG3     5 VAL  HA     3893.50
 12 GLU          HG2     5 VAL  HA     2014.50
 12 GLU          HB3     5 VAL  HA     6704.50
 47 ASP          HB2    45 SER  HB3    4757.50
 34 FPR          HA     35 ASP  HN    62500.00
 13 TYRF         HQD2   14 ASP  HN    12330.00
 15 FPR          HD2    16 ALA  HN   245833.34
 33 LEU          QD2    24 ILE  QD1  121375.00
 34 FPR          HD2    33 LEU  HA   114600.00
 27 GLY          HN     17 LYS  HA     9315.56
 25 LYS          HA     18 GLY  HA2   68930.00


## UPV constraints

 48 ALA          HN     48 ALA  QB    95755.56
 16 ALA          HN     16 ALA  QB   148444.45
 16 ALA          HN     16 ALA  HA    10438.89
 14 ASP          HN     14 ASP  HB2   41933.34
 33 LEU          HN     33 LEU  HA    36050.00
 10 GLY          HA1    10 GLY  HN    25688.89
 46 LYS          HA     46 LYS  HN    22111.11
 33 LEU          HA     33 LEU  HB3   63485.00
 33 LEU          QD2    33 LEU  HB3   77055.00
 33 LEU          QD1    33 LEU  HB2   84135.00
 33 LEU          QD1    33 LEU  HB3   54670.00
 33 LEU          QD2    33 LEU  HB2   21395.00
  4 TYRF         HA      4 TYRF HN    15450.00
 47 ASP          HA     47 ASP  HN    28222.22
 49 PHEF         HA     49 PHEF HN    45588.89
 37 TRP          HA     37 TRP  HN    15688.89
 43 GLY          HA2    43 GLY  HN    27672.22
 45 SER          HB3    45 SER  HN    13838.89
  7 THR          HA      7 THR  HN    20571.11
 11 TYRF         HA     11 TYRF HN    35472.22
  8 VAL          HA      8 VAL  HN    16466.67
 28 THR          HB     28 THR  HN    71900.00
 28 THR          HB     28 THR  HG1   90527.78
 23 GLY          HA2    23 GLY  HN   451666.69
 18 GLY          HA1    18 GLY  HN   610272.25
 10 GLY          HA2    10 GLY  HN   112188.89
 43 GLY          HA1    43 GLY  HN   120377.78
 18 GLY          HA2    18 GLY  HN    38811.11
 49 PHEF         HB2    49 PHEF HN    43744.45
 31 GLU          HA     31 GLU  HN    20050.00
 42 CYSS         HB2    42 CYSS HN    13888.89
  9 CYSS         HB2     9 CYSS HN     6886.67
 30 PHEF         HA     30 PHEF HN    22877.78
 11 TYRF         HB2    11 TYRF HN   286111.12
 39 CYSS         HB3    39 CYSS HN    90544.45
 25 LYS          HA     25 LYS  HN    21638.89
 19 ASP          HB3    19 ASP  HN    17038.89
 37 TRP          HB2    37 TRP  HN    87250.01
  6 CYSS         HA     49 PHEF HA    57400.00
 32 ASP          HB3    32 ASP  HN    14000.00
 37 TRP          HB3    37 TRP  HN   100677.78
  6 CYSS         HB2    10 GLY  HN     7652.78
  9 CYSS         HB3     9 CYSS HN    75638.89
  8 VAL          HB      8 VAL  HN    88411.12
  6 CYSS         HA      6 CYSS HN    50061.11
  6 CYSS         HB2     6 CYSS HN    98761.12
 30 PHEF         HB2    30 PHEF HN    52872.23
 42 CYSS         HB3    42 CYSS HN    46722.22
  4 TYRF         HB3     4 TYRF HN    11578.89
 49 PHEF         HB3    49 PHEF HN    22944.45
 32 ASP          HB2    32 ASP  HN    97911.12
 47 ASP          HB3    47 ASP  HN     5533.33
 50 GLU          HG2    50 GLU  HN     1533.89
 29 LYS          HB2    29 LYS  HN    17316.67
 30 PHEF         HB3    30 PHEF HN    41461.11
 31 GLU          HB2    31 GLU  HN    12508.33
 50 GLU          HB2    50 GLU  HN     8570.56
 24 ILE          HB     24 ILE  HN    54388.89
 17 LYS          HB2    17 LYS  HN   421050.03
 49 PHEF         HB3    49 PHEF HA    44855.00
 31 GLU          HB3    31 GLU  HN    10395.00
 50 GLU          HB3    50 GLU  HN    24766.67
 25 LYS          HG2    25 LYS  HN    29794.45
  5 VAL          HB      5 VAL  HA    10082.50
 12 GLU          HB2    12 GLU  HN    32955.56
 12 GLU          HB3    12 GLU  HN    12888.33
 24 ILE          HG12   24 ILE  HN    54055.56
 25 LYS          HB2    25 LYS  HN    97844.45
 46 LYS          HB2    46 LYS  HN    69227.78
 29 LYS          HD2    29 LYS  HN    94594.45
 29 LYS          HG2    29 LYS  HN    85816.67
 44 ALA          QB     44 ALA  HN   106944.45
 51 LYS          HB2    51 LYS  HN    21305.56
 24 ILE          HG13   24 ILE  HN    12618.89
 28 THR          QG2    28 THR  HG1   24955.56
 28 THR          QG2    28 THR  HN    13161.11
  3 ILE          HG12    4 TYRF HN    52477.78
 46 LYS          HG3    46 LYS  HN     7306.67
  8 VAL          QG2     8 VAL  HN    95805.56
 24 ILE          QG2    19 ASP  HN    39716.67
 24 ILE          QG2    24 ILE  HN     6905.00
 24 ILE          QD1    24 ILE  HN    10252.22
 33 LEU          HG     33 LEU  HN   101305.56
 33 LEU          HB2    33 LEU  HN   128944.45
 38 ALA          QB     38 ALA  HN    65827.78
 33 LEU          HB3    33 LEU  HN    19072.22
 33 LEU          HB2    34 FPR  HD2   15650.00
 24 ILE          QD1    34 FPR  HD2   47575.00
 33 LEU          QD2    33 LEU  HN     9974.45
 33 LEU          QD1    33 LEU  HN    11614.45
 33 LEU          QD1    33 LEU  HA     5841.50
 33 LEU          QD2    33 LEU  HA    96200.00
 46 LYS          HD2    46 LYS  HN     2369.44
  5 VAL          HB      5 VAL  HN    48000.00
 37 TRP          HB3    37 TRP  HD1   12880.00
 37 TRP          HB2    37 TRP  HD1   46255.00
 39 CYSS         HB2    39 CYSS HN   101888.89
 41 VAL          HA     41 VAL  HN    29222.22
 38 ALA          HA     38 ALA  HN    12633.33
  6 CYSS         HB3    10 GLY  HN    67611.12
 28 THR          HA     28 THR  HG1    3777.78
  5 VAL          QG2     5 VAL  HN    24066.11
 39 CYSS         HB2    49 PHEF HQE1  82300.00
 30 PHEF         HA     33 LEU  HN    18944.45
 32 ASP          HN     31 GLU  HN    17820.99
 37 TRP          HZ3    30 PHEF HQE1  20350.00
 30 PHEF         HQD1    4 TYRF HQD1   8820.00
 30 PHEF         HD1     4 TYRF HQE1   9695.00
 37 TRP          HZ3    49 PHEF HD1    5997.00
 37 TRP          HZ3    49 PHEF HE1   22870.00
 37 TRP          HZ3    49 PHEF HZ    16900.00
 30 PHEF         HQD1   13 TYRF HQD2  31200.00
 30 PHEF         HD1    49 PHEF HD1    4785.50
 30 PHEF         HE1    49 PHEF HD1   16390.00
  4 TYRF         HQD2   49 PHEF HQD2   4420.00
 28 THR          HG1    28 THR  HN    56771.61
 37 TRP          HH2    49 PHEF HZ    42725.00
 11 TYRF         HQE2   49 PHEF HZ    12000.00
 37 TRP          HE3    49 PHEF HE1    1637.50
 30 PHEF         HE1    49 PHEF HE1    2658.00
 19 ASP          HB3    37 TRP  HE1   13122.22
 24 ILE          HG13   37 TRP  HE1   11822.78
 24 ILE          QD1    37 TRP  HE1    3393.33
 33 LEU          QD2    37 TRP  HE1    8257.22
 41 VAL          HB     41 VAL  HN    97861.12
 41 VAL          QG2    41 VAL  HN    43905.56
 31 GLU          HA     32 ASP  HN     6855.56
 13 TYRF         HE1    13 TYRF HH   135750.00
  4 TYRF         HB3     4 TYRF HQD2  60300.00
  5 VAL          HA      6 CYSS HN   135407.78
  7 THR          HA      8 VAL  HN    10133.33
 49 PHEF         HA     50 GLU  HN   100333.34
 10 GLY          HA2    11 TYRF HN    16457.22
 10 GLY          HA1    11 TYRF HN    11822.22
 18 GLY          HA2    19 ASP  HN   597055.56
 18 GLY          HA1    19 ASP  HN    31194.45
 17 LYS          HN     16 ALA  HN   106376.55
 17 LYS          HN     18 GLY  HN   145703.72
 44 ALA          HA     44 ALA  HN    28716.67
 43 GLY          HA2    44 ALA  HN    15000.00
 43 GLY          HA1    44 ALA  HN     7811.11
 43 GLY          HN     44 ALA  HN    58685.19
 42 CYSS         HA     43 GLY  HN     5900.00
 43 GLY          HN     42 CYSS HN   165308.66
 45 SER          HN     44 ALA  HN     3000.00
 44 ALA          HA     45 SER  HN    86549.45
 45 SER          HA     46 LYS  HN    69277.78
 38 ALA          HA     46 LYS  HN    16472.22
 47 ASP          HN     46 LYS  HN    32296.30
 27 GLY          HA2    28 THR  HN    10170.56
 29 LYS          HA     30 PHEF HN    36233.34
  8 VAL          HA      9 CYSS HN     7427.78
  9 CYSS         HA     10 GLY  HN     7388.89
 12 GLU          HA     13 TYRF HN   129833.34
 24 ILE          HA     25 LYS  HN    67277.78
 30 PHEF         HA     31 GLU  HN     5386.67
 37 TRP          HA     38 ALA  HN    65805.56
 38 ALA          HA     39 CYSS HN    74611.12
  4 TYRF         HQD1    4 TYRF HN    19555.56
  4 TYRF         HQE1    4 TYRF HN     4438.89
  4 TYRF         HA      4 TYRF HQD1   4750.00
  5 VAL          HA     13 TYRF HN    14144.45
 49 PHEF         HQD2   13 TYRF HN    18711.11
 49 PHEF         HQE2   13 TYRF HN    24227.78
 49 PHEF         HQE2    6 CYSS HN    12722.22
 49 PHEF         HQD2    6 CYSS HN    15833.33
 10 GLY          HN     11 TYRF HN    73623.46
  3 ILE          QG2    13 TYRF HN    15216.67
 30 PHEF         HE1    30 PHEF HN    41505.56
 30 PHEF         HQD2   31 GLU  HN     7479.44
  8 VAL          HB      9 CYSS HN    98927.78
 39 CYSS         HB2    44 ALA  HN    28144.45
  6 CYSS         HB3     9 CYSS HN    35466.67
  8 VAL          QG1     9 CYSS HN    33500.00
 28 THR          QG2    29 LYS  HN    34961.11
 33 LEU          QD2    13 TYRF HH    39725.00
 28 THR          HB     13 TYRF HH    55400.00
 28 THR          QG2    13 TYRF HH    17225.00
 28 THR          HN     27 GLY  HN    69919.76
 49 PHEF         HQE1   39 CYSS HN    15277.78
  7 THR          HN      8 VAL  HN    62006.18
 18 GLY          HA1    13 TYRF HQE1  15895.00
 15 FPR          HA     13 TYRF HH    30823.50
 15 FPR          HA     18 GLY  HN     9472.22
 15 FPR          HA     13 TYRF HQE2  19545.00
  4 TYRF         HA     52 GLN  HN    69111.12
 49 PHEF         HA      7 THR  HN    29977.78
 46 LYS          HA     49 PHEF HQD1  22850.00
 49 PHEF         HA     49 PHEF HD1   18995.50
  5 VAL          HA     49 PHEF HQD2   5750.00
 49 PHEF         HQD1   49 PHEF HN    44888.89
 38 ALA          HA     37 TRP  HE3    9750.00
 46 LYS          HA     37 TRP  HE3    3662.50
 46 LYS          HA     30 PHEF HZ    16015.00
 49 PHEF         HB2    30 PHEF HZ    40820.00
 49 PHEF         HB3    30 PHEF HZ    19935.00
 46 LYS          HG3    30 PHEF HZ    26690.00
 46 LYS          HG2    30 PHEF HZ    33380.00
 39 CYSS         HA     37 TRP  HH2   21700.00
  6 CYSS         HB2    49 PHEF HZ    57205.00
  6 CYSS         HB2    49 PHEF HE1   52290.00
 49 PHEF         HB2    49 PHEF HD1   59615.00
  4 TYRF         HB3    49 PHEF HQD2  52850.00
  6 CYSS         HA     49 PHEF HD1   12595.00
 48 ALA          QB     49 PHEF HQD1   9055.00
 48 ALA          QB      8 VAL  HN    11450.56
 48 ALA          QB      7 THR  HN    35733.34
 49 PHEF         HB2     4 TYRF HQD2   3955.00
 49 PHEF         HB3    30 PHEF HQE1   9450.00
 46 LYS          HG2    30 PHEF HQE1   8030.00
 46 LYS          HB3    37 TRP  HE3   11765.00
 46 LYS          HB2    37 TRP  HE3   33035.00
 33 LEU          QD1    37 TRP  HE3   14790.00
 46 LYS          HG3    37 TRP  HE3   34130.00
 46 LYS          HD2    37 TRP  HE3    5467.50
 37 TRP          HB3    37 TRP  HE3   64605.00
 37 TRP          HB2    37 TRP  HE3   11355.00
 46 LYS          HA     37 TRP  HZ3   13384.00
 33 LEU          QD1    13 TYRF HD1   13290.00
 33 LEU          QD1    37 TRP  HH2    4961.50
 33 LEU          QD1    30 PHEF HQD1  32250.00
 33 LEU          QD1    37 TRP  HZ3    7400.00
 33 LEU          QD2    13 TYRF HQE1  12200.00
 33 LEU          QD2    13 TYRF HQD1   2965.00
 24 ILE          QG2    13 TYRF HQE1  14750.00
 24 ILE          QG2    28 THR  HG1   32516.67
 24 ILE          QG2    28 THR  HN     7805.56
 28 THR          HG1    25 LYS  HN    32049.38
 33 LEU          QD2    37 TRP  HD1    9430.00
 24 ILE          QD1    37 TRP  HD1   15230.00
 24 ILE          HG13   37 TRP  HD1   17895.00
 30 PHEF         HB3    30 PHEF HQD2  62000.00
  4 TYRF         HB2    30 PHEF HQD1  21350.00
 30 PHEF         HB2    30 PHEF HQD1  39650.00
 30 PHEF         HA     30 PHEF HQD1  25750.00
 31 GLU          HA     30 PHEF HQD2   5550.00
  4 TYRF         HB3    30 PHEF HQD1   7345.00
 30 PHEF         HB3     4 TYRF HQE1  14050.00
 30 PHEF         HB3     4 TYRF HQD1   9250.00
 30 PHEF         HB2     4 TYRF HQE1  21800.00
 30 PHEF         HB2     4 TYRF HQD1  24400.00
 30 PHEF         HB3    13 TYRF HQE2  23600.00
 30 PHEF         HB2    13 TYRF HQE2   2160.00
 24 ILE          HB     13 TYRF HQE1   4970.00
 19 ASP          HB3    13 TYRF HQE1   5522.00
 19 ASP          HB2    13 TYRF HQE1  11080.00
 30 PHEF         HA     13 TYRF HQE2  10800.00
 18 GLY          HA2    13 TYRF HQE1   2360.00
 29 LYS          HA     13 TYRF HQE2   5450.00
 11 TYRF         HB2    11 TYRF HQD1 136500.00
 40 FPR          HD2    11 TYRF HQE2  18400.00
 11 TYRF         HA     11 TYRF HQD1  19300.00
 39 CYSS         HA     49 PHEF HZ    72605.00
 39 CYSS         HA     49 PHEF HQE1   8110.00
 39 CYSS         HB3    43 GLY  HN    96333.34
 39 CYSS         HB2    43 GLY  HN    11238.89
 30 PHEF         HB3    13 TYRF HQD2   6365.00
 30 PHEF         HB2    13 TYRF HQD2  24150.00
 49 PHEF         HB3    50 GLU  HN    31116.67
 24 ILE          HB     19 ASP  HN   156055.56
 48 ALA          QB     45 SER  HN    11400.00
 39 CYSS         HB3    42 CYSS HN    38000.00
 39 CYSS         HB2    42 CYSS HN     8501.67
 29 LYS          HB2    31 GLU  HN    10276.67
 29 LYS          HB2    30 PHEF HN    12822.22
 17 LYS          HB2    14 ASP  HN    25933.33
 24 ILE          QG2    25 LYS  HN    37488.89
 33 LEU          QD2    34 FPR  HD2   48070.00
 33 LEU          HB3    34 FPR  HD2   79255.00
 33 LEU          QD1    30 PHEF HA    92340.00
 33 LEU          HB3    37 TRP  HB2   25625.00
 33 LEU          HB3    37 TRP  HB3   34695.00
 33 LEU          QD2    24 ILE  QG2  146850.00
 33 LEU          QD2    24 ILE  HG13 170345.00
 33 LEU          QD2    28 THR  QG2   74540.00
 10 GLY          HN      9 CYSS HN   137407.42
 49 PHEF         HQD1   48 ALA  HN     9855.56
 38 ALA          QB     39 CYSS HN    54127.78
  4 TYRF         HN     13 TYRF HN    26790.13
 51 LYS          HA      4 TYRF HQD2  13341.00
  4 TYRF         HA      4 TYRF HE1    1252.50
 51 LYS          HB3     4 TYRF HQE2   9530.00
 51 LYS          HG2     4 TYRF HQE2   4905.00
 12 GLU          HA      6 CYSS HN    11800.00
 49 PHEF         HZ      6 CYSS HN     6275.56
  6 CYSS         HA      8 VAL  HN    17027.78
  7 THR          QG2     7 THR  HN    47777.78
 10 GLY          HN      8 VAL  HN    13129.63
 44 ALA          QB      8 VAL  HB    57190.00
 13 TYRF         HQE1   19 ASP  HN     1872.22
 13 TYRF         HQD1   14 ASP  HN     4322.22
 15 FPR          HA     27 GLY  HN     5186.67
  3 ILE          QG2     4 TYRF HN    54044.45
 14 ASP          HB3    17 LYS  HN    19175.00
 16 ALA          HA     27 GLY  HN    14993.89
 16 ALA          QB     17 LYS  HN    37816.67
 17 LYS          HB2    18 GLY  HN    28522.22
 18 GLY          HN     27 GLY  HN    12891.98
 18 GLY          HA2    27 GLY  HN    48863.89
 20 FPR          HD3    19 ASP  HA    18925.00
 20 FPR          HD2    19 ASP  HA    15941.00
 19 ASP          HB3    24 ILE  HN    17433.33
 24 ILE          QD1    25 LYS  HN    11935.56
 28 THR          QG2    32 ASP  HN    10303.33
 41 VAL          QG2    11 TYRF HQD1  43000.00
 41 VAL          HB     11 TYRF HQD1   3881.50
 32 ASP          HB2    29 LYS  HN    25427.78
 46 LYS          HG3    30 PHEF HE1   29942.50
 46 LYS          HD2    30 PHEF HE1    1665.00
 42 CYSS         HB2    44 ALA  HN    10088.33
 46 LYS          HA     48 ALA  HN     4922.22
 51 LYS          HA     52 GLN  HN    72505.56
 51 LYS          HG2    52 GLN  HN    19277.78
 37 TRP          HA     37 TRP  HD1   31165.00
 40 FPR          HD3    37 TRP  HZ2   55875.00
 40 FPR          HD3    11 TYRF HQE2   5765.00
 40 FPR          HD3    37 TRP  HH2   19615.00
 40 FPR          HD2    37 TRP  HZ2   10204.50
 40 FPR          HD2    37 TRP  HH2   13010.00
 41 VAL          QG2    11 TYRF HE1   11965.00
 40 FPR          HG3    37 TRP  HZ2   38930.50
 40 FPR          HG3    11 TYRF HE1    9019.00
 40 FPR          HB2    11 TYRF HE1   14740.00
  7 THR          HN      9 CYSS HN    11962.96
  5 VAL          QG2     6 CYSS HN    32966.67
 39 CYSS         HB2    41 VAL  HN     8157.78
 40 FPR          HB2    41 VAL  HN    20088.89
 40 FPR          HA     41 VAL  HN    10561.11
 43 GLY          HN     41 VAL  HN    17506.17
 42 CYSS         HN     44 ALA  HN    10218.52
 46 LYS          HA     49 PHEF HQE1   4425.00
 25 LYS          HB3    28 THR  HG1   12650.00
 25 LYS          HB2    28 THR  HG1    9483.33
 44 ALA          QB     39 CYSS HN    12444.45
 44 ALA          QB     49 PHEF HQE1  11015.00
 44 ALA          QB     49 PHEF HQD1   2405.00
 28 THR          QG2    13 TYRF HE1    4829.00
 49 PHEF         HA     49 PHEF HE1     571.00
 18 GLY          HA1    13 TYRF HH    55400.00
  4 TYRF         HB2     4 TYRF HE1   10470.00
  4 TYRF         HB3     4 TYRF HE1    2979.50
  4 TYRF         HA      4 TYRF HB3   32985.00
  5 VAL          HA      5 VAL  QG2   12080.00
  9 CYSS         HA     11 TYRF HN     2282.22
 19 ASP          HA     19 ASP  HB2   26705.00
 19 ASP          HA     19 ASP  HB3   10310.00
 27 GLY          HN     27 GLY  HA2   50683.34
 31 GLU          HN     30 PHEF HB3   15511.11
 34 FPR          HD3    33 LEU  HB3   11733.50
 34 FPR          HD3    33 LEU  QD2   19185.00
 24 ILE          HG12   33 LEU  QD2    1643.00
 24 ILE          HB     33 LEU  QD2    3309.00
 34 FPR          HD3    24 ILE  QD1   20070.00
 33 LEU          HG     30 PHEF HA   135600.00
 37 TRP          HA     37 TRP  HB2   34475.00
  4 TYRF         HN     13 TYRF HQD2   1322.22
 13 TYRF         HH     13 TYRF HD1    4218.50
 15 FPR          HB2    13 TYRF HQE2  15250.00
 15 FPR          HA     15 FPR  HB2   43695.00
 28 THR          QG2    32 ASP  HB2   68050.00
 28 THR          QG2    32 ASP  HB3   23255.00
 39 CYSS         HA     40 FPR  HD3  136080.00
 33 LEU          HA     33 LEU  HG    26395.00
  4 TYRF         HA     51 LYS  HA    24745.00
 13 TYRF         HB3    13 TYRF HN    33277.78
 13 TYRF         HB3     4 TYRF HN     9838.89
 13 TYRF         HB3    13 TYRF HD1   67500.00
 13 TYRF         HB3    11 TYRF HQE2  24800.00
 46 LYS          HD2    33 LEU  QD1   12775.00
 26 FPR          HB2    27 GLY  HN     5511.11
 46 LYS          HB2    30 PHEF HZ     5772.50
 24 ILE          HA     24 ILE  QD1   52600.00
 24 ILE          HA     24 ILE  QG2   43435.00
 24 ILE          QG2    13 TYRF HH    29630.00
 41 VAL          QG1    42 CYSS HN    13858.89
 41 VAL          QG2    11 TYRF HN    10513.89
  8 VAL          QG2     7 THR  HN    12076.67
  3 ILE          HB      3 ILE  HN   100433.34
 46 LYS          HD2    33 LEU  HB3   20390.00
  3 ILE          HG12   15 FPR  HD3    2422.00
  3 ILE          HG12   15 FPR  HD2   10614.50
 24 ILE          QG2    28 THR  HB   116405.00
  8 VAL          QG1     8 VAL  HA   112105.00
 41 VAL          QG2    41 VAL  HA    80185.00
 41 VAL          QG2    11 TYRF HB2   67325.00
 20 FPR          HA     23 GLY  HN     7461.11
 34 FPR          HB2    37 TRP  HN    23316.67
  6 CYSS         HB2    11 TYRF HQD2  18350.00
 39 CYSS         HN     49 PHEF HZ     7152.78
  5 VAL          HA     49 PHEF HE1    5470.00
  8 VAL          QG1     9 CYSS HB3   48440.00
 39 CYSS         HB2    37 TRP  HZ3    4226.00
  4 TYRF         HB3     5 VAL  HN    24038.89
  4 TYRF         HB3    50 GLU  HN     3131.67
 39 CYSS         HA     11 TYRF HQD2   9385.00
 46 LYS          HG3    37 TRP  HZ3    2225.00
  8 VAL          QG2    44 ALA  QB   113470.00
 38 ALA          QB     43 GLY  HA1   36890.00
  9 CYSS         HB2    11 TYRF HN     8298.33
  9 CYSS         HB3    10 GLY  HN     2576.11
  2 ASP          HN      2 ASP  HB2   10183.33
  3 ILE          HN      2 ASP  HB2    3584.44
  3 ILE          HB      4 TYRF HN    10716.67
 12 GLU          HG3     4 TYRF HN      876.11
  5 VAL          HN     52 GLN  HN    14092.59
 12 GLU          HN      6 CYSS HN     7941.36
 11 TYRF         HB3    12 GLU  HN     9094.45
 12 GLU          HB3    13 TYRF HN    12922.22
 15 FPR          HD3    13 TYRF HQD2   3045.00
 19 ASP          HB3    24 ILE  HG13  24715.00
 47 ASP          HB2    48 ALA  HN    16511.11
 51 LYS          HB3    52 GLN  HN    15955.56
 38 ALA          QB     46 LYS  HN     6316.67
 38 ALA          QB     45 SER  HN     4642.78
  4 TYRF         HD1    13 TYRF HD1   15385.00
 13 TYRF         HB2    30 PHEF HE1   10320.00
  7 THR          QG2    50 GLU  HN     9977.22
  2 ASP          HB2     4 TYRF HQE1  15070.00
 37 TRP          HZ3    39 CYSS HN     2886.11
 37 TRP          HZ3    30 PHEF HZ     8072.00
 15 FPR          HG2     2 ASP  HN    10170.56
 12 GLU          HB2     5 VAL  HA     4126.50
 12 GLU          HG3     5 VAL  HA     1894.50
 12 GLU          HG2     5 VAL  HA      171.50
  5 VAL          HA     12 GLU  HB3    1924.00
 34 FPR          HA     35 ASP  HN    20277.78
 33 LEU          QD2    24 ILE  QD1  106125.00
 34 FPR          HD2    33 LEU  HA    95100.00
 27 GLY          HN     17 LYS  HA     3713.33


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