NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type other_prop
10951 1qn1 4435 cing 1-original 1 DYANA/DIANA peak LOWER_ONLY=true


#Lower volume limits
#80ms DATA
  1 VAL  HA      1 VAL  QG1     153.65     
  1 VAL  HA      1 VAL  QG2     137.19     
  1 VAL  HA      2 ASP- HN      989.87     
  1 VAL  HB      2 ASP- HN       53.21     
  1 VAL  QG1     2 ASP- HN       82.29     
  1 VAL  QG2     2 ASP- HN       55.20     
  2 ASP- HN      2 ASP- HA      304.71     
  2 ASP- HN      2 ASP- HB2     475.82     
  2 ASP- HN      2 ASP- HB3     117.35     
  2 ASP- HA      2 ASP- HB2     291.34     
  2 ASP- HB2     3 VAL  HN      144.24     
  2 ASP- HB3     3 VAL  HN      326.58     
  3 VAL  HN      3 VAL  HA       86.18     
  3 VAL  HN      3 VAL  HB      235.61     
  5 ALA  HN      5 ALA  HA      341.67     
  5 ALA  HN      6 ASP- HN       43.63     
  5 ALA  HA      6 ASP- HA       42.02     
  5 ALA  QB      6 ASP- HN      569.66     
  5 ALA  QB      6 ASP- HA       21.96     
  6 ASP- HN      6 ASP- HA      252.37     
  6 ASP- HN      7 GLY  HN        2.65     
  6 ASP- HA      6 ASP- HB3     421.03     
  6 ASP- HA     23 VAL  QG1      13.60     
  6 ASP- HB2     7 GLY  HN      701.28     
  6 ASP- HB3     7 GLY  HN      287.23     
  7 GLY  HN      7 GLY  HA1     379.33     
  7 GLY  HN      8 ALA  HN      465.40     
  7 GLY  HN     23 VAL  QG1     187.17     
  7 GLY  HA1     8 ALA  HN      253.94     
  7 GLY  HA1    23 VAL  QG1     281.33     
  7 GLY  HA2    23 VAL  QG2      11.07     
  8 ALA  HN      8 ALA  HA      368.06     
  8 ALA  HN      8 ALA  QB     1009.35     
  8 ALA  HN     23 VAL  QG1     111.49     
  8 ALA  HN     24 PHE  HN       65.98     
  8 ALA  HA      9 LYS+ HA       10.25     
  8 ALA  QB      9 LYS+ HN       96.78     
  8 ALA  QB     10 ILE  QD1      54.98     
  8 ALA  QB     24 PHE  HN       39.21     
  9 LYS+ HN      9 LYS+ HA      155.38     
  9 LYS+ HN      9 LYS+ HG2      28.27     
  9 LYS+ HN      9 LYS+ HD3     429.32     
  9 LYS+ HA      9 LYS+ HG2     222.13     
  9 LYS+ HA     10 ILE  HG12     35.09     
  9 LYS+ HA     23 VAL  QG1      25.13     
  9 LYS+ HA     23 VAL  QG2     255.68     
  9 LYS+ HG2     9 LYS+ HD3     594.03     
  9 LYS+ HG2     9 LYS+ HE2     174.06     
  9 LYS+ HG3     9 LYS+ HE3     174.12     
  9 LYS+ HD3     9 LYS+ HE2     136.35     
  9 LYS+ HD3    10 ILE  HN      107.06     
  9 LYS+ HD3    21 THR  HB       43.92     
 10 ILE  HN     10 ILE  HA      236.34     
 10 ILE  HN     10 ILE  HB      703.07     
 10 ILE  HN     10 ILE  QG2      73.18     
 10 ILE  HN     10 ILE  HG12    320.89     
 10 ILE  HN     10 ILE  HG13    144.42     
 10 ILE  HN     10 ILE  QD1      24.33     
 10 ILE  HN     11 ASP- HN        7.64     
 10 ILE  HN     21 THR  QG2     130.89     
 10 ILE  HN     22 VAL  HN      213.42     
 10 ILE  HN     23 VAL  HA       54.76     
 10 ILE  HA     10 ILE  QG2     557.53     
 10 ILE  HA     10 ILE  HG12    152.83     
 10 ILE  HA     10 ILE  QD1     101.72     
 10 ILE  HA     12 PHEF HQD1     22.45     
 10 ILE  HA     12 PHEF HQE1     62.27     
 10 ILE  HB     10 ILE  HG12    144.12     
 10 ILE  HB     10 ILE  HG13    274.15     
 10 ILE  HB     10 ILE  QD1     415.86     
 10 ILE  HB     22 VAL  HN      134.53     
 10 ILE  HB     22 VAL  HB      533.97     
 10 ILE  HB     22 VAL  QG1      69.19     
 10 ILE  HB     68 TRP  HZ2      48.64     
 10 ILE  QG2    10 ILE  HG12    147.80     
 10 ILE  QG2    10 ILE  QD1     826.91     
 10 ILE  QG2    11 ASP- HN      205.29     
 10 ILE  QG2    11 ASP- HA       32.34     
 10 ILE  QG2    12 PHEF HN      143.40     
 10 ILE  QG2    12 PHEF HQD1    483.68     
 10 ILE  QG2    12 PHEF HQE1    345.85     
 10 ILE  QG2    12 PHEF HZ       25.16     
 10 ILE  QG2    22 VAL  HB       75.20     
 10 ILE  QG2    24 PHE  HB3      22.91     
 10 ILE  QG2    68 TRP  HD1       2.53     
 10 ILE  QG2    68 TRP  HE1     302.52     
 10 ILE  QG2    68 TRP  HZ2    1241.98     
 10 ILE  QG2    68 TRP  HH2      94.54     
 10 ILE  HG12   24 PHE  HB3      69.50     
 10 ILE  HG13   11 ASP- HN       18.61     
 10 ILE  HG13   12 PHEF HQE1     42.13     
 10 ILE  HG13   24 PHE  HB3      78.95     
 10 ILE  QD1    12 PHEF HQE1     34.35     
 10 ILE  QD1    24 PHE  HB2     211.70     
 10 ILE  QD1    24 PHE  HB3     349.78     
 10 ILE  QD1    68 TRP  HZ2     193.13     
 10 ILE  QD1    68 TRP  HH2      50.23     
 11 ASP- HN     11 ASP- HA      205.14     
 11 ASP- HN     11 ASP- HB2      68.92     
 11 ASP- HN     11 ASP- HB3     132.11     
 11 ASP- HN     12 PHEF HN      155.40     
 11 ASP- HN     12 PHEF HQD1     12.90     
 11 ASP- HN     12 PHEF HQE1     16.24     
 11 ASP- HA     12 PHEF HN      590.81     
 11 ASP- HA     13 ILE  HN       42.24     
 11 ASP- HA     21 THR  QG2      13.00     
 11 ASP- HB2    21 THR  QG2     460.60     
 11 ASP- HB3    21 THR  QG2     183.69     
 12 PHEF HN     12 PHEF HB2     218.72     
 12 PHEF HN     12 PHEF HB3     139.27     
 12 PHEF HN     12 PHEF HQD1     78.05     
 12 PHEF HA     12 PHEF HD2      58.22     
 12 PHEF HB2    12 PHEF HQD1    768.63     
 12 PHEF HB2    12 PHEF HE1      61.37     
 12 PHEF HB2    50 THR  QG2     124.36     
 12 PHEF HB3    12 PHEF HD2     503.14     
 12 PHEF HB3    12 PHEF HE2       0.58     
 12 PHEF HB3    13 ILE  HN        9.28     
 12 PHEF HB3    50 THR  QG2     146.41     
 12 PHEF HB3    58 LEU  QD1      72.89     
 12 PHEF HB3    58 LEU  QD2     218.37     
 12 PHEF HB3    68 TRP  HD1       9.91     
 12 PHEF HB3    68 TRP  HE1      39.74     
 12 PHEF HQD1   68 TRP  HE1     459.61     
 12 PHEF HQD1   68 TRP  HZ2     179.64     
 12 PHEF HQE1   50 THR  QG2      67.66     
 12 PHEF HQE1   68 TRP  HE1      39.91     
 12 PHEF HQE1   68 TRP  HZ2      84.76     
 13 ILE  HN     13 ILE  HA      141.90     
 13 ILE  HN     13 ILE  HG12    110.08     
 13 ILE  HN     13 ILE  QD1     121.03     
 13 ILE  HA     14 ALA  HN      503.32     
 13 ILE  HG12   58 LEU  HA      127.44     
 13 ILE  QG2    14 ALA  HN      173.80     
 13 ILE  QD1    68 TRP  HD1     494.61     
 13 ILE  QD1    68 TRP  HE1       9.67     
 13 ILE  QD1    69 TYRF HN        0.64     
 13 ILE  QD1    69 TYRF HA       62.43     
 14 ALA  HN     14 ALA  QB      225.72     
 14 ALA  HA     15 GLY  HN       70.45     
 14 ALA  QB     15 GLY  HN       92.53     
 15 GLY  HN     15 GLY  HA2      97.50     
 15 GLY  HA2    19 ASN  HA       53.31     
 16 GLY  HN     16 GLY  HA1     354.61     
 16 GLY  HN     16 GLY  HA2     486.11     
 18 LYS+ HN     18 LYS+ HD2      45.68     
 19 ASN  HN     19 ASN  HB3     299.31     
 19 ASN  HA     20 LEU  HN      140.75     
 19 ASN  HB2    19 ASN  HD22    176.13     
 19 ASN  HB3    19 ASN  HD21    286.81     
 19 ASN  HD21   21 THR  QG2      17.72     
 20 LEU  HN     20 LEU  HA       26.47     
 20 LEU  HA     21 THR  HN      581.77     
 21 THR  HN     21 THR  HA       39.85     
 21 THR  HN     21 THR  HB      130.37     
 21 THR  HN     21 THR  QG2      52.64     
 21 THR  HA     21 THR  HB      177.67     
 21 THR  HA     22 VAL  HN      787.97     
 21 THR  HB     22 VAL  HN       92.40     
 21 THR  QG2    22 VAL  HN      285.58     
 22 VAL  HN     22 VAL  HA      138.29     
 22 VAL  HA     22 VAL  HB       62.88     
 22 VAL  HA     22 VAL  QG1     234.22     
 22 VAL  HA     23 VAL  HN      867.82     
 22 VAL  HA     23 VAL  QG2      10.85     
 23 VAL  HN     23 VAL  HA      162.62     
 23 VAL  HN     23 VAL  HB      762.37     
 23 VAL  HN     23 VAL  QG1      65.27     
 23 VAL  HN     23 VAL  QG2     475.86     
 23 VAL  HA     23 VAL  QG1     449.09     
 23 VAL  HA     23 VAL  QG2     561.50     
 23 VAL  QG1    24 PHE  HN      355.06     
 23 VAL  QG1    25 ASN  HD21    100.48     
 23 VAL  QG1    25 ASN  HD22    276.29     
 23 VAL  QG2    24 PHE  HN      114.61     
 24 PHE  HN     24 PHE  HB2     243.61     
 24 PHE  HN     24 PHE  HB3     271.51     
 24 PHE  HA     24 PHE  HB3     303.39     
 24 PHE  HA     25 ASN  HN       96.84     
 25 ASN  HA     25 ASN  HB3      96.52     
 25 ASN  HB2    25 ASN  HD21    412.73     
 25 ASN  HB2    25 ASN  HD22    134.80     
 25 ASN  HB2    27 SER  HN      118.01     
 25 ASN  HB3    25 ASN  HD21    324.11     
 25 ASN  HB3    25 ASN  HD22    139.13     
 25 ASN  HB3    27 SER  HN       20.14     
 27 SER  HN     27 SER  HA      321.32     
 27 SER  HN     27 SER  HB2      29.72     
 27 SER  HN     27 SER  HB3      69.91     
 27 SER  HA     27 SER  HB2     567.96     
 27 SER  HA     27 SER  HB3     680.89     
 27 SER  HA     28 THR  HN       82.25     
 28 THR  HN     28 THR  HA      137.73     
 28 THR  HN     28 THR  QG2      74.60     
 28 THR  HA     30 LYS+ HN        0.39     
 30 LYS+ HN     30 LYS+ HD2     385.56     
 30 LYS+ HA     30 LYS+ HB2     764.48     
 30 LYS+ HA     30 LYS+ HD2     256.95     
 30 LYS+ HA     31 ASP- HN      132.90     
 30 LYS+ HB2    30 LYS+ HG3     274.58     
 30 LYS+ HB2    31 ASP- HN       75.94     
 30 LYS+ HD2    31 ASP- HN      116.04     
 30 LYS+ HD3    30 LYS+ HE3     282.26     
 31 ASP- HN     31 ASP- HA      411.25     
 31 ASP- HN     31 ASP- HB3     617.85     
 31 ASP- HA     31 ASP- HB3     563.14     
 31 ASP- HA     32 VAL  HN      245.96     
 31 ASP- HB3    32 VAL  HN       83.02     
 32 VAL  HN     32 VAL  QG1      37.78     
 32 VAL  HA     32 VAL  QG1     521.93     
 32 VAL  HA     32 VAL  QG2     122.21     
 32 VAL  QG1    33 LYS+ HN      339.73     
 32 VAL  QG1    33 LYS+ HB3      47.52     
 32 VAL  QG1    36 ASP- HN       41.06     
 32 VAL  QG1    36 ASP- HA        3.50     
 32 VAL  QG1    36 ASP- HB2     168.14     
 32 VAL  QG1    36 ASP- HB3     444.72     
 33 LYS+ HN     33 LYS+ HA       58.26     
 33 LYS+ HA     33 LYS+ HB3     447.74     
 33 LYS+ HB2    35 ASP- HN       27.59     
 33 LYS+ HB3    35 ASP- HN      225.13     
 33 LYS+ HB3    36 ASP- HN       29.22     
 35 ASP- HN     35 ASP- HA      383.38     
 35 ASP- HN     35 ASP- HB2       2.66     
 35 ASP- HN     35 ASP- HB3     237.30     
 35 ASP- HA     35 ASP- HB2     787.78     
 35 ASP- HA     35 ASP- HB3     714.75     
 35 ASP- HA     36 ASP- HN      109.49     
 36 ASP- HN     36 ASP- HA      274.16     
 36 ASP- HN     36 ASP- HB3     865.37     
 36 ASP- HA     36 ASP- HB2     560.10     
 36 ASP- HA     36 ASP- HB3     286.99     
 36 ASP- HA     37 HEMC HN       55.85     
 36 ASP- HA     80 LYS+ HG3     352.67     
 36 ASP- HB3    81 FPR  HG2       7.14     
 40 GLN  HA     40 GLN  HG3     125.26     
 40 GLN  HA     41 FPR  HD2    1116.92     
 41 FPR  HD2    41 FPR  HG2     374.06     
 41 FPR  HD2    41 FPR  HG3     363.63     
 41 FPR  HD2    41 FPR  HA        8.81     
 41 FPR  HD2    41 FPR  HB3      73.48     
 41 FPR  HD3    41 FPR  HB2      15.15     
 41 FPR  HG2    41 FPR  HA       47.96     
 41 FPR  HG3    41 FPR  HA        3.30     
 41 FPR  HA     41 FPR  HB2     270.47     
 41 FPR  HA     41 FPR  HB3     660.49     
 41 FPR  HA     45 GLN  HB2      35.88     
 41 FPR  HA     45 GLN  HG2      13.06     
 41 FPR  HB2    42 GLY  HN      129.28     
 41 FPR  HB3    42 GLY  HN       35.79     
 44 LYS+ HN     44 LYS+ HA      191.95     
 44 LYS+ HN     44 LYS+ HB2     158.37     
 44 LYS+ HN     44 LYS+ HD2       5.59     
 44 LYS+ HN     45 GLN  HN      429.27     
 44 LYS+ HN     45 GLN  HB2      68.62     
 44 LYS+ HA     44 LYS+ HB2     456.80     
 44 LYS+ HA     44 LYS+ HD2     300.52     
 44 LYS+ HA     45 GLN  HN      146.00     
 44 LYS+ HB2    44 LYS+ HG3      18.56     
 44 LYS+ HB2    44 LYS+ HD2      91.84     
 45 GLN  HN     45 GLN  HA      476.71     
 45 GLN  HN     45 GLN  HB2     837.79     
 45 GLN  HN     46 TYRF HN      254.03     
 45 GLN  HA     45 GLN  HB2     605.83     
 45 GLN  HA     46 TYRF HN       42.69     
 45 GLN  HB2    46 TYRF HN       84.12     
 45 GLN  HG2    45 GLN  HE21    269.11     
 46 TYRF HN     47 ALA  HN      500.85     
 46 TYRF HN     47 ALA  QB       17.80     
 47 ALA  HN     47 ALA  QB      511.38     
 47 ALA  HA     48 GLY  HN      804.77     
 47 ALA  HA     48 GLY  HA2      26.74     
 47 ALA  QB     48 GLY  HN      286.44     
 48 GLY  HN     48 GLY  HA1     418.86     
 48 GLY  HN     48 GLY  HA2     899.24     
 48 GLY  HN     51 THR  QG2      99.80     
 50 THR  HA     50 THR  QG2     509.59     
 50 THR  HA     51 THR  HN      123.68     
 50 THR  HB     58 LEU  QD2     105.55     
 50 THR  QG2    58 LEU  QD2     389.45     
 50 THR  QG2    68 TRP  HA       61.61     
 50 THR  QG2    68 TRP  HB2     428.16     
 50 THR  QG2    68 TRP  HB3     132.37     
 50 THR  QG2    68 TRP  HE3     109.20     
 51 THR  HA     51 THR  HB      312.51     
 51 THR  QG2    52 ASP- HB2      92.16     
 52 ASP- HA     53 GLY  HN      616.54     
 52 ASP- HA     56 ASN  HB3     234.83     
 52 ASP- HA     56 ASN  HD21     79.69     
 52 ASP- HA     56 ASN  HD22     63.86     
 56 ASN  HN     56 ASN  HA      273.55     
 56 ASN  HN     56 ASN  HB2     147.00     
 56 ASN  HN     56 ASN  HB3     220.61     
 56 ASN  HN     56 ASN  HD21     17.83     
 56 ASN  HN     57 ILE  HN      373.96     
 56 ASN  HN     66 ASN  HA       63.66     
 56 ASN  HN     66 ASN  HB3     123.45     
 56 ASN  HA     56 ASN  HB2     652.76     
 56 ASN  HA     56 ASN  HB3     358.74     
 56 ASN  HA     57 ILE  HN      134.18     
 56 ASN  HB2    56 ASN  HD22    161.84     
 56 ASN  HB3    56 ASN  HD21    228.71     
 56 ASN  HB3    56 ASN  HD22     30.76     
 57 ILE  HN     57 ILE  HA      163.36     
 57 ILE  HN     57 ILE  HB      508.81     
 57 ILE  HN     57 ILE  HG12    256.05     
 57 ILE  HN     57 ILE  QD1      46.34     
 57 ILE  HN     66 ASN  HB3      34.61     
 57 ILE  HN     67 SER  HA       98.11     
 57 ILE  HA     57 ILE  HB      137.33     
 57 ILE  HA     57 ILE  QD1     173.96     
 57 ILE  HA     58 LEU  HN     1000.98     
 57 ILE  HA     59 ASP- HN        7.38     
 57 ILE  HB     57 ILE  QD1     122.73     
 57 ILE  HB     67 SER  HA      972.02     
 57 ILE  QG2    58 LEU  HN      271.25     
 57 ILE  QG2    58 LEU  HA       11.90     
 57 ILE  QG2    62 ASP- HN       88.12     
 57 ILE  QG2    62 ASP- HB2     234.21     
 57 ILE  QG2    62 ASP- HB3     374.14     
 57 ILE  QG2    67 SER  HA      186.11     
 57 ILE  QG2    67 SER  HB3      56.52     
 57 ILE  QD1    62 ASP- HB3     206.41     
 57 ILE  QD1    66 ASN  HB2      59.38     
 57 ILE  QD1    66 ASN  HB3     283.87     
 57 ILE  QD1    67 SER  HA        7.70     
 58 LEU  HN     58 LEU  HA      165.73     
 58 LEU  HN     58 LEU  QD1      53.13     
 58 LEU  HN     58 LEU  QD2      63.86     
 58 LEU  HN     59 ASP- HN      279.54     
 58 LEU  HA     58 LEU  QD1      40.63     
 58 LEU  HA     58 LEU  QD2     982.63     
 58 LEU  HA     59 ASP- HN      118.65     
 58 LEU  QD2    68 TRP  HD1     255.92     
 59 ASP- HN     59 ASP- HA      181.10     
 59 ASP- HB2    61 ALA  HN       79.11     
 60 LYS+ HN     61 ALA  QB       21.01     
 60 LYS+ HA     60 LYS+ HD2       2.64     
 60 LYS+ HD2    61 ALA  HN       25.43     
 62 ASP- HB3    67 SER  HB3      62.51     
 63 LYS+ HA     63 LYS+ HG2     183.98     
 63 LYS+ HA     67 SER  HB2      45.83     
 63 LYS+ HA     70 LYS+ HD2     244.30     
 64 SER  HN     64 SER  HB2      34.42     
 64 SER  HN     65 VAL  HN        3.67     
 64 SER  HN     67 SER  HB3       2.42     
 64 SER  HA     64 SER  HB2     152.74     
 64 SER  HA     65 VAL  HN      536.06     
 64 SER  HA     66 ASN  HN        2.70     
 65 VAL  HN     65 VAL  HA      221.20     
 65 VAL  HN     65 VAL  HB      551.01     
 65 VAL  HN     66 ASN  HN       31.59     
 65 VAL  HA     65 VAL  QG1     275.18     
 65 VAL  HA     70 LYS+ HE2      31.58     
 65 VAL  QG2    66 ASN  HN      100.60     
 66 ASN  HN     66 ASN  HA      195.03     
 66 ASN  HN     66 ASN  HB2     432.50     
 66 ASN  HN     66 ASN  HB3      23.97     
 66 ASN  HN     67 SER  HN      478.50     
 66 ASN  HA     66 ASN  HB2     303.22     
 66 ASN  HA     66 ASN  HD21    403.88     
 66 ASN  HA     66 ASN  HD22    128.13     
 66 ASN  HA     67 SER  HN       93.78     
 66 ASN  HB2    66 ASN  HD22     54.74     
 66 ASN  HB3    66 ASN  HD21    149.41     
 66 ASN  HB3    66 ASN  HD22    158.99     
 67 SER  HN     67 SER  HA      188.11     
 67 SER  HN     67 SER  HB2     662.01     
 67 SER  HN     69 TYRF HN        7.64     
 67 SER  HA     67 SER  HB2     165.45     
 67 SER  HA     67 SER  HB3     266.41     
 67 SER  HA     68 TRP  HN      948.50     
 67 SER  HA     68 TRP  HB2      10.05     
 67 SER  HB2    70 LYS+ HN       42.09     
 67 SER  HB2    70 LYS+ HB3     181.74     
 67 SER  HB3    70 LYS+ HB2     189.58     
 67 SER  HB3    70 LYS+ HB3      36.60     
 68 TRP  HN     68 TRP  HA      246.63     
 68 TRP  HN     68 TRP  HB2     559.32     
 68 TRP  HN     68 TRP  HB3     507.07     
 68 TRP  HN     69 TYRF HN      134.91     
 68 TRP  HA     68 TRP  HB2     692.49     
 68 TRP  HA     68 TRP  HB3     294.87     
 68 TRP  HA     68 TRP  HE3    1149.09     
 68 TRP  HA     71 VAL  HN       33.50     
 68 TRP  HA     71 VAL  QG1     978.05     
 68 TRP  HB2    68 TRP  HD1     150.59     
 68 TRP  HB2    68 TRP  HE3     136.26     
 68 TRP  HB2    69 TYRF HN       75.37     
 68 TRP  HB3    68 TRP  HD1     302.74     
 68 TRP  HB3    69 TYRF HN      163.62     
 68 TRP  HZ2    72 VAL  QG2      49.81     
 68 TRP  HH2    72 VAL  QG2     103.40     
 69 TYRF HN     70 LYS+ HN      153.53     
 69 TYRF HB2    69 TYRF HD2       1.02     
 69 TYRF HD1    70 LYS+ HA       27.49     
 70 LYS+ HN     70 LYS+ HA      205.64     
 70 LYS+ HN     70 LYS+ HB2     409.11     
 70 LYS+ HN     70 LYS+ HB3     312.66     
 70 LYS+ HN     70 LYS+ HG2      25.91     
 70 LYS+ HN     71 VAL  HN      470.54     
 70 LYS+ HA     70 LYS+ HB2     336.12     
 70 LYS+ HA     70 LYS+ HB3     468.81     
 70 LYS+ HA     70 LYS+ HG2     312.84     
 70 LYS+ HA     70 LYS+ HD2     263.99     
 70 LYS+ HA     71 VAL  HN       59.10     
 70 LYS+ HA     74 ASP- HB3       3.53     
 70 LYS+ HB2    70 LYS+ HD2     457.23     
 70 LYS+ HB3    70 LYS+ HG2     897.78     
 70 LYS+ HG2    74 ASP- HN        9.76     
 70 LYS+ HD2    70 LYS+ HE2     409.71     
 70 LYS+ HD3    70 LYS+ HE3     414.07     
 70 LYS+ HE2    74 ASP- HA        4.88     
 71 VAL  HN     72 VAL  HN      437.80     
 71 VAL  HN     74 ASP- HB3       1.76     
 71 VAL  HA     74 ASP- HB2     173.27     
 71 VAL  HA     82 THR  QG2     541.48     
 72 VAL  HN     72 VAL  HA      190.05     
 74 ASP- HN     74 ASP- HB2     826.11     
 74 ASP- HN     75 ALA  HN        9.13     
 74 ASP- HN     82 THR  HG1      18.47     
 74 ASP- HN     82 THR  QG2     297.90     
 74 ASP- HA     76 LYS+ HN       64.96     
 74 ASP- HB2    75 ALA  HN       18.84     
 74 ASP- HB2    77 GLY  HN       94.68     
 74 ASP- HB2    82 THR  QG2     410.23     
 74 ASP- HB3    82 THR  HG1      90.32     
 74 ASP- HB3    82 THR  QG2     686.44     
 75 ALA  HN     75 ALA  HA      121.76     
 75 ALA  HN     75 ALA  QB      572.35     
 75 ALA  HN     76 LYS+ HN      245.26     
 75 ALA  HA     76 LYS+ HN      152.43     
 75 ALA  HA     82 THR  HG1     114.36     
 75 ALA  HA     84 ILE  QG2     789.42     
 76 LYS+ HN     76 LYS+ HG2      19.59     
 76 LYS+ HA     76 LYS+ HG2     126.94     
 77 GLY  HN     77 GLY  HA1    1293.50     
 77 GLY  HN     82 THR  QG2      19.06     
 77 GLY  HN     85 SER  HB3     109.50     
 77 GLY  HA1    82 THR  HN       99.25     
 77 GLY  HA2    82 THR  QG2     199.67     
 78 GLY  HN     79 ALA  HN       12.58     
 78 GLY  HN     81 FPR  HA       77.21     
 78 GLY  HN     82 THR  QG2      17.73     
 79 ALA  HN     80 LYS+ HN      461.24     
 79 ALA  HA     80 LYS+ HN      136.52     
 79 ALA  QB     80 LYS+ HN      276.34     
 80 LYS+ HN     80 LYS+ HA      164.74     
 80 LYS+ HN     80 LYS+ HB2     167.16     
 80 LYS+ HN     80 LYS+ HG2     163.96     
 80 LYS+ HA     80 LYS+ HB2     503.75     
 80 LYS+ HA     80 LYS+ HG2    1271.05     
 80 LYS+ HA     81 FPR  HD3     362.68     
 80 LYS+ HA     81 FPR  HG2      15.99     
 80 LYS+ HA     81 FPR  HG3      15.46     
 80 LYS+ HB2    81 FPR  HD3     728.78     
 81 FPR  HD2    81 FPR  HG3     321.25     
 81 FPR  HD2    81 FPR  HB3      89.79     
 81 FPR  HD3    81 FPR  HG2     310.35     
 81 FPR  HD3    81 FPR  HG3     412.48     
 81 FPR  HG2    81 FPR  HA       50.87     
 81 FPR  HG2    81 FPR  HB2     287.05     
 81 FPR  HG2    81 FPR  HB3     341.17     
 81 FPR  HG3    81 FPR  HA       37.12     
 81 FPR  HG3    81 FPR  HB2     139.14     
 81 FPR  HG3    81 FPR  HB3     207.54     
 81 FPR  HA     81 FPR  HB2     366.23     
 81 FPR  HA     81 FPR  HB3     908.96     
 81 FPR  HB2    82 THR  HN      163.40     
 81 FPR  HB3    82 THR  HN      146.91     
 82 THR  HN     82 THR  HA      210.00     
 82 THR  HN     82 THR  HG1     119.14     
 82 THR  HN     82 THR  QG2     365.67     
 82 THR  HN     85 SER  HN       93.89     
 82 THR  HN     85 SER  HB3      59.17     
 82 THR  HA     82 THR  HB      346.19     
 82 THR  HA     82 THR  QG2     719.52     
 82 THR  HB     82 THR  HG1     382.11     
 82 THR  HG1    84 ILE  HN      106.41     
 82 THR  HG1    84 ILE  HB       68.94     
 82 THR  HG1    84 ILE  QG2       2.18     
 82 THR  HG1    85 SER  HN     1113.76     
 82 THR  HG1    85 SER  HA       70.00     
 82 THR  HG1    85 SER  HB3     417.31     
 82 THR  QG2    85 SER  HN       39.47     
 84 ILE  HN     84 ILE  HB      301.51     
 84 ILE  HN     84 ILE  QG2      17.33     
 84 ILE  HB     85 SER  HN       72.87     
 84 ILE  QG2    85 SER  HN       40.45     
 84 ILE  QG2    85 SER  HA       64.76     
 84 ILE  QG2    88 LYS+ HN       17.22     
 84 ILE  QG2    88 LYS+ HG2      60.45     
 84 ILE  QG2    88 LYS+ HE2      21.18     
 84 ILE  QG2   102 THR  HA       34.05     
 84 ILE  QG2   102 THR  HB      205.67     
 84 ILE  QG2   102 THR  QG2     101.25     
 84 ILE  QD1   102 THR  HB       82.31     
 85 SER  HN     85 SER  HA      258.86     
 85 SER  HN     85 SER  HB2     108.59     
 85 SER  HA     85 SER  HB2     604.82     
 85 SER  HA     85 SER  HB3     537.56     
 85 SER  HA     88 LYS+ HN       71.82     
 85 SER  HA     88 LYS+ HB2     118.93     
 85 SER  HA     89 ASP- HN       27.41     
 88 LYS+ HN     88 LYS+ HA      270.05     
 88 LYS+ HN     88 LYS+ HB2     457.07     
 88 LYS+ HN     89 ASP- HN      206.39     
 88 LYS+ HN    102 THR  QG2      57.82     
 88 LYS+ HA     88 LYS+ HB2     602.57     
 88 LYS+ HA    102 THR  QG2     426.14     
 88 LYS+ HB2    89 ASP- HN      531.10     
 89 ASP- HN     90 LYS+ HN      562.48     
 89 ASP- HB2    90 LYS+ HN      542.48     
 90 LYS+ HN     90 LYS+ HA      310.92     
 90 LYS+ HN     90 LYS+ HB2     564.14     
 90 LYS+ HN     90 LYS+ HD2      69.47     
 90 LYS+ HN     91 ALA  HN      201.72     
 90 LYS+ HN     92 GLY  HN        6.36     
 90 LYS+ HA     90 LYS+ HB2     616.16     
 90 LYS+ HA     90 LYS+ HD2     325.38     
 90 LYS+ HB2    91 ALA  HN      191.17     
 91 ALA  HN     91 ALA  HA      425.01     
 91 ALA  HN     92 GLY  HN      413.90     
 91 ALA  HA     97 LEU  HB3     360.89     
 91 ALA  HA     97 LEU  HB2      31.59     
 91 ALA  HA     97 LEU  QD1     236.37     
 91 ALA  HA     97 LEU  QD2     261.96     
 92 GLY  HN     92 GLY  HA1    1483.12     
 92 GLY  HN     93 ASP- HN       39.93     
 92 GLY  HA1    93 ASP- HN      680.09     
 92 GLY  HA1    94 ASP- HN      116.93     
 93 ASP- HN     93 ASP- HA       37.69     
 93 ASP- HN     93 ASP- HB2      63.91     
 93 ASP- HN     93 ASP- HB3     254.37     
 93 ASP- HN     94 ASP- HN      391.63     
 93 ASP- HA     93 ASP- HB2      73.25     
 93 ASP- HA     93 ASP- HB3     346.44     
 93 ASP- HA     94 ASP- HN      120.86     
 93 ASP- HB2    94 ASP- HN       15.89     
 94 ASP- HN     94 ASP- HB2     565.09     
 94 ASP- HN     95 LYS+ HN       71.37     
 94 ASP- HA     95 LYS+ HN       67.92     
 94 ASP- HB2    97 LEU  HN       82.25     
 94 ASP- HB2    97 LEU  HB2      53.51     
 94 ASP- HB2    97 LEU  QD1      49.13     
 94 ASP- HB2    97 LEU  QD2      10.70     
 94 ASP- HB3    95 LYS+ HN       69.75     
 94 ASP- HB3    97 LEU  HG       16.55     
 95 LYS+ HN     95 LYS+ HA      264.96     
 95 LYS+ HN     95 LYS+ HB2     581.71     
 95 LYS+ HN     96 GLU- HN      134.38     
 95 LYS+ HA     96 GLU- HN       80.79     
 95 LYS+ HA     97 LEU  HN       24.16     
 95 LYS+ HA     98 LYS+ HN      108.97     
 95 LYS+ HA     98 LYS+ HB3      73.06     
 95 LYS+ HA     99 LYS+ HN       37.47     
 96 GLU- HN     96 GLU- HG2     125.46     
 96 GLU- HN     96 GLU- HG3      37.01     
 96 GLU- HN     97 LEU  HN       40.17     
 96 GLU- HN     98 LYS+ HN      114.40     
 96 GLU- HA     96 GLU- HG2     132.64     
 96 GLU- HA     96 GLU- HG3      12.70     
 96 GLU- HA     97 LEU  HN       70.04     
 96 GLU- HB2    97 LEU  HN      281.20     
 97 LEU  HN     97 LEU  HB3     496.74     
 97 LEU  HN     97 LEU  HB2     145.10     
 97 LEU  HN     97 LEU  QD1      50.62     
 97 LEU  HN     97 LEU  QD2      42.60     
 97 LEU  HN     98 LYS+ HN      751.91     
 97 LEU  HN     99 LYS+ HN       21.23     
 97 LEU  HA     97 LEU  HB3     142.24     
 97 LEU  HA     97 LEU  HB2     184.16     
 97 LEU  HA     97 LEU  QD1     183.39     
 97 LEU  HA     97 LEU  QD2     514.38     
 97 LEU  HA     98 LYS+ HN       92.97     
 97 LEU  HA    100 LYS+ HN      134.72     
 97 LEU  HA    100 LYS+ HG3       3.43     
 97 LEU  HB3    97 LEU  QD1     358.92     
 97 LEU  HB3    97 LEU  QD2     239.94     
 97 LEU  HB2    97 LEU  QD1     131.66     
 97 LEU  HB2    97 LEU  QD2     202.71     
 98 LYS+ HA     98 LYS+ HE2     504.49     
 98 LYS+ HA     99 LYS+ HN       88.96     
 98 LYS+ HA    102 THR  QG2      68.01     
 99 LYS+ HN     99 LYS+ HG2      57.77     
 99 LYS+ HA    103 GLY  HN      176.49     
100 LYS+ HN    100 LYS+ HB2     444.80     
100 LYS+ HN    100 LYS+ HG3      18.21     
100 LYS+ HN    107 SER  HA        0.39     
100 LYS+ HA    100 LYS+ HB2     418.49     
100 LYS+ HA    100 LYS+ HG3     321.94     
100 LYS+ HA    100 LYS+ HD3      41.60     
100 LYS+ HA    107 SER  HA      665.82     
100 LYS+ HA    107 SER  HB2      95.96     
100 LYS+ HA    108 ALA  HN      346.07     
100 LYS+ HA    108 ALA  QB       31.09     
100 LYS+ HB2   100 LYS+ HG3     415.88     
100 LYS+ HB2   100 LYS+ HD2      25.98     
100 LYS+ HB2   100 LYS+ HD3     101.70     
100 LYS+ HG2   100 LYS+ HD3     153.27     
100 LYS+ HG2   101 LEU  HN      514.46     
100 LYS+ HG3   100 LYS+ HE2     124.98     
100 LYS+ HG3   107 SER  HA       11.47     
100 LYS+ HG3   108 ALA  HN       59.76     
100 LYS+ HG3   108 ALA  QB      304.58     
100 LYS+ HD3   108 ALA  HN        5.93     
100 LYS+ HD3   108 ALA  QB       40.27     
101 LEU  HN    101 LEU  HB3     592.81     
102 THR  HN    102 THR  HB       32.39     
102 THR  HN    102 THR  HG1       6.70     
102 THR  HN    102 THR  QG2     141.56     
102 THR  HN    103 GLY  HN      822.90     
102 THR  HA    102 THR  HB      775.44     
102 THR  HA    102 THR  QG2     462.32     
102 THR  HA    103 GLY  HN       65.23     
103 GLY  HN    107 SER  HB2       1.64     
103 GLY  HA1   104 CYSH HN      116.11     
105 LYS+ HN    105 LYS+ HA      215.40     
105 LYS+ HN    105 LYS+ HB2     172.30     
105 LYS+ HN    105 LYS+ HG2      15.09     
105 LYS+ HN    106 GLY  HN        8.76     
105 LYS+ HA    105 LYS+ HB2     341.24     
105 LYS+ HA    105 LYS+ HG2     176.04     
105 LYS+ HA    107 SER  HN      102.96     
105 LYS+ HA    112 SER  HN      101.78     
106 GLY  HN    106 GLY  HA1     894.44     
106 GLY  HN    107 SER  HN      671.35     
106 GLY  HN    111 FPR  HA      160.80     
106 GLY  HN    112 SER  HN        4.89     
106 GLY  HA1   107 SER  HN       24.57     
106 GLY  HA1   111 FPR  HA       24.05     
106 GLY  HA1   112 SER  HN      125.88     
107 SER  HN    107 SER  HA      228.65     
107 SER  HN    111 FPR  HA      217.74     
107 SER  HA    107 SER  HG        1.70     
107 SER  HA    108 ALA  HN      637.80     
107 SER  HA    108 ALA  QB       19.68     
107 SER  HB2   107 SER  HG       94.12     
107 SER  HB2   108 ALA  HN      393.22     
107 SER  HB2   108 ALA  QB        5.85     
108 ALA  HN    108 ALA  HA      343.76     
108 ALA  HN    108 ALA  QB      764.31     
111 FPR  HD2   111 FPR  HG2     219.37     
111 FPR  HD2   111 FPR  HB3       8.72     
111 FPR  HD2   112 SER  HN       13.11     
111 FPR  HG2   111 FPR  HA       30.19     
111 FPR  HG2   112 SER  HN       86.88     
111 FPR  HA    111 FPR  HB3     665.52     
111 FPR  HA    112 SER  HN      623.42     
111 FPR  HB2   112 SER  HN      183.15     
111 FPR  HB3   112 SER  HN      107.87     
112 SER  HN    112 SER  HB2     217.45     
#25ms DATA
  1 VAL  QG1    37 HEMC QM8     290.77    
  1 VAL  QG1    37 HEMC HDM      74.89    
  1 VAL  QG1    37 HEMC QM1     255.71    
  1 VAL  QG2    37 HEMC QM8     115.10    
  1 VAL  QG2    37 HEMC QM1      85.83    
  1 VAL  QG2    46 TYRF HD2       0.47    
  3 VAL  HN      3 VAL  QG2     384.25    
  3 VAL  HN     37 HEMC QM1      11.40    
  3 VAL  HA      3 VAL  HB       77.56    
  3 VAL  HA     37 HEMC QM1      79.81    
  3 VAL  QG1    26 HINH HB2     153.47    
  3 VAL  QG1    26 HINH HB3     220.87    
  3 VAL  QG1    37 HEMC QM1      37.50    
  3 VAL  QG2    26 HINH HB2      27.32    
  3 VAL  QG2    26 HINH HB3     103.83    
  3 VAL  QG2    37 HEMC QM1     195.62    
  3 VAL  QG2    37 HEMC QT2     519.86    
 10 ILE  QG2   109 HEMC QM5     497.54    
 10 ILE  QG2   109 HEMC HA62    458.91    
 10 ILE  QG2   109 HEMC HB62    100.12    
 10 ILE  QD1    22 VAL  HB        2.66    
 10 ILE  QD1    37 HEMC QM5     583.60    
 10 ILE  QD1    37 HEMC HA63     55.45    
 10 ILE  QD1    37 HEMC HB62      9.59    
 10 ILE  QD1    86 HEMC QM1     184.54    
 10 ILE  QD1    86 HEMC QT2      97.12    
 10 ILE  QD1   109 HEMC QM5     325.25    
 12 PHEF HQE1   37 HEMC HB62     99.94    
 12 PHEF HZ     37 HEMC HB62      9.99    
 13 ILE  QG2   109 HEMC HA72    169.68    
 13 ILE  QD1    69 TYRF HQD1     94.37    
 13 ILE  QD1   109 HEMC HA63    165.59    
 20 LEU  HN     20 LEU  HG      317.23    
 20 LEU  HN     20 LEU  QD1     474.19    
 22 VAL  HN     22 VAL  HB      698.45    
 22 VAL  HN     22 VAL  QG2     177.38    
 22 VAL  HN    109 HEMC HB62     25.92    
 22 VAL  HB    109 HEMC QM5     449.89    
 22 VAL  QG1    23 VAL  HN      507.09    
 22 VAL  QG1    86 HEMC QM8      24.87    
 22 VAL  QG1    86 HEMC QM1     495.27    
 22 VAL  QG1   109 HEMC HA        2.81    
 22 VAL  QG1   109 HEMC QM5     438.00    
 22 VAL  QG2   109 HEMC QM5     165.73    
 23 VAL  HA     25 ASN  HN        1.47    
 25 ASN  HN     25 ASN  HA       61.08    
 26 HINH HN     26 HINH HB2     349.73    
 26 HINH HA     27 SER  HN       28.66    
 26 HINH HB2    27 SER  HN      141.00    
 27 SER  HN     28 THR  HN      449.46    
 27 SER  HA     29 HINH HN       59.31    
 28 THR  HN     29 HINH HN      831.90    
 28 THR  HB     86 HEMC HB72    231.01    
 28 THR  QG2    86 HEMC HB72    202.10    
 29 HINH HN     29 HINH HA       70.13    
 29 HINH HN     29 HINH HB3     453.09    
 29 HINH HN     30 LYS+ HN      992.90    
 29 HINH HA     29 HINH HB2     103.56    
 32 VAL  HN     32 VAL  QG2     512.03    
 32 VAL  QG1    37 HEMC QM3    1137.05    
 32 VAL  QG1    86 HEMC QT4     952.15    
 32 VAL  QG1    86 HEMC QM3      57.81    
 32 VAL  QG2    37 HEMC QM3     111.16    
 32 VAL  QG2    86 HEMC QT4     321.40    
 33 LYS+ HB2    34 CYSH HN       20.50    
 33 LYS+ HB3    34 CYSH HN       68.38    
 34 CYSH HN     34 CYSH HA      251.45    
 34 CYSH HN     34 CYSH HB2     292.49    
 34 CYSH HN     34 CYSH HB3      83.11    
 34 CYSH HN     35 ASP- HN      112.81    
 34 CYSH HA     34 CYSH HB2      18.26    
 34 CYSH HA     37 HEMC QM3     104.37    
 34 CYSH HA     37 HEMC HAM     133.50    
 34 CYSH HB2    35 ASP- HN      594.65    
 35 ASP- HA     37 HEMC HN      166.06    
 35 ASP- HA     38 HINX HN      339.57    
 36 ASP- HN     37 HEMC HN     1091.52    
 36 ASP- HB2    37 HEMC HN       38.50    
 36 ASP- HB2    86 HEMC QT4      21.41    
 36 ASP- HB3    37 HEMC HN      160.47    
 37 HEMC HN     37 HEMC HA      336.15    
 37 HEMC HN     37 HEMC HB2     502.96    
 37 HEMC HN     38 HINX HN     1960.05    
 37 HEMC HA     37 HEMC HB3     771.21    
 37 HEMC HB2    38 HINX HN      327.56    
 37 HEMC HB3    54 HEMC QT2     202.20    
 37 HEMC HT4A   37 HEMC QM5     102.89    
 37 HEMC QT4    37 HEMC HBM     131.08    
 37 HEMC QT4    86 HEMC QM3     181.93    
 37 HEMC QM5    37 HEMC HA62    305.60    
 37 HEMC QM5    37 HEMC HA63    488.93    
 37 HEMC QM5    37 HEMC HB62      7.07    
 37 HEMC QM5    37 HEMC HB63    240.57    
 37 HEMC QM5    54 HEMC QT2     128.56    
 37 HEMC QM5    68 TRP  HH2     201.14    
 37 HEMC QM5    86 HEMC QT2    1206.02    
 37 HEMC HA62   37 HEMC HB62    110.42    
 37 HEMC HA62   37 HEMC HB63    299.52    
 37 HEMC HA63   37 HEMC HB62    633.95    
 37 HEMC HA63   37 HEMC HB63    320.46    
 37 HEMC HA63   37 HEMC HGM     623.56    
 37 HEMC HGM    37 HEMC HA73    983.64    
 37 HEMC HA72   37 HEMC QM8     341.09    
 37 HEMC HA73   37 HEMC QM8     231.03    
 37 HEMC QM8    46 TYRF HB3     199.91    
 37 HEMC QM8    46 TYRF HQD2     46.40    
 37 HEMC QM1    37 HEMC HT2A    101.70    
 37 HEMC QM1    37 HEMC QT2     582.68    
 37 HEMC QM1    46 TYRF HQE2    296.73    
 38 HINX HN     38 HINX HA      175.19    
 38 HINX HN     38 HINX HB2     600.44    
 38 HINX HN     38 HINX HB3      12.29    
 38 HINX HA     39 HINH HN     1236.53    
 38 HINX HB3    45 GLN  HG2      22.50    
 38 HINX HB3    45 GLN  HG3     348.37    
 39 HINH HN     39 HINH HA      311.26    
 39 HINH HN     39 HINH HB2     553.39    
 39 HINH HN     40 GLN  HN      405.02    
 39 HINH HA     39 HINH HB2     212.58    
 39 HINH HA     40 GLN  HN       81.13    
 40 GLN  HN     40 GLN  HA      219.48    
 40 GLN  HN     40 GLN  HB2     577.73    
 40 GLN  HN     45 GLN  HA       42.81    
 40 GLN  HA     40 GLN  HB3     117.94    
 44 LYS+ HB2    54 HEMC QM3     100.58    
 45 GLN  HN     45 GLN  HG2      49.25    
 46 TYRF HN     46 TYRF HA      300.55    
 46 TYRF HN     46 TYRF HD1     202.82    
 46 TYRF HA     46 TYRF HB2     217.47    
 46 TYRF HA     47 ALA  HN      118.81    
 46 TYRF HB2    46 TYRF HD1     732.83    
 47 ALA  HN     54 HEMC QM3      78.25    
 47 ALA  QB     54 HEMC QM3     480.85    
 48 GLY  HA1    49 CYSH HN     1178.11    
 48 GLY  HA2    49 CYSH HN      218.66    
 49 CYSH HN     49 CYSH HA      328.89    
 49 CYSH HN     49 CYSH HB3     720.91    
 49 CYSH HN     54 HEMC HT2A      0.98    
 49 CYSH HA     49 CYSH HB2     374.73    
 49 CYSH HA     49 CYSH HB3     334.04    
 49 CYSH HA     54 HEMC QM3     568.12    
 49 CYSH HA     54 HEMC HAM    1708.04    
 49 CYSH HB3    50 THR  QG2      15.11    
 49 CYSH HB3    68 TRP  HZ3     175.20    
 50 THR  HA     55 HINX HN      595.21    
 50 THR  HA     55 HINX HB2     314.75    
 50 THR  QG2    55 HINX HB2     182.57    
 51 THR  HG1    54 HEMC QM3    1121.14    
 51 THR  QG2    54 HEMC QM3      11.71    
 53 GLY  HN     54 HEMC HN      413.56    
 54 HEMC HN     54 HEMC HB2      58.91    
 54 HEMC HN     55 HINX HN        5.73    
 54 HEMC HA     54 HEMC HB2     622.13    
 54 HEMC HA     54 HEMC HBM    1192.31    
 54 HEMC HA     55 HINX HN       92.37    
 54 HEMC HB2    54 HEMC QM3      20.15    
 54 HEMC HB2    55 HINX HN     1457.52    
 54 HEMC QT4    54 HEMC QM3    1077.44    
 54 HEMC QM3    54 HEMC HT2A    190.56    
 54 HEMC QM5    54 HEMC HA63   1114.60    
 54 HEMC QM5    54 HEMC HB62    302.00    
 54 HEMC QM5    65 VAL  QG1      23.77    
 54 HEMC HA63   54 HEMC HB62    887.21    
 54 HEMC HA63   54 HEMC HGM     253.96    
 54 HEMC HA63   65 VAL  QG1     555.50    
 54 HEMC HA63   65 VAL  QG2     132.09    
 54 HEMC HB62   54 HEMC HGM     331.07    
 54 HEMC HGM    54 HEMC HA73   2269.58    
 54 HEMC HGM    54 HEMC HB73    133.88    
 54 HEMC HA72   54 HEMC HB73     38.88    
 54 HEMC HA72   54 HEMC QM8     861.45    
 54 HEMC HA73   54 HEMC HB72    271.08    
 54 HEMC HA73   54 HEMC HB73    263.59    
 54 HEMC HA73   54 HEMC QM8      28.57    
 54 HEMC HA73   80 LYS+ HN      137.54    
 54 HEMC HB73   54 HEMC QM8     253.69    
 54 HEMC HB73   65 VAL  QG1     184.03    
 54 HEMC QM8    74 ASP- HB3     119.56    
 54 HEMC QM8    82 THR  HA      455.86    
 55 HINX HN     55 HINX HA      342.91    
 55 HINX HN     55 HINX HB2     742.21    
 55 HINX HN     55 HINX HB3      43.50    
 55 HINX HN     56 ASN  HN       10.79    
 55 HINX HA     55 HINX HB2     101.15    
 55 HINX HA     55 HINX HB3     912.65    
 55 HINX HA     66 ASN  HB3      46.01    
 55 HINX HA     68 TRP  HA        2.80    
 55 HINX HB2    68 TRP  HA      365.72    
 55 HINX HB2    68 TRP  HB2      81.72    
 55 HINX HB3    68 TRP  HN        1.62    
 55 HINX HB3    68 TRP  HA     1050.55    
 55 HINX HB3    68 TRP  HB2     211.70    
 55 HINX HB3    68 TRP  HE3     713.43    
 55 HINX HB3    71 VAL  QG1     113.53    
 60 LYS+ HD2   109 HEMC QM8      12.11    
 65 VAL  QG1    66 ASN  HN       59.46    
 66 ASN  HA     66 ASN  HB3     543.37    
 68 TRP  HE1   109 HEMC HA62   1096.53    
 68 TRP  HE1   109 HEMC HA63    267.57    
 68 TRP  HZ2   109 HEMC QM5     212.58    
 68 TRP  HZ2   109 HEMC HA62    151.26    
 68 TRP  HH2    86 HEMC QT2     146.91    
 69 TYRF HN     69 TYRF HA      200.57    
 69 TYRF HA     69 TYRF HD1     148.97    
 69 TYRF HA     72 VAL  HB      164.36    
 69 TYRF HA     73 HINH HN       72.39    
 69 TYRF HD1   109 HEMC HA72     37.40    
 71 VAL  QG1    72 VAL  HN       20.08    
 72 VAL  HN     72 VAL  HB      948.47    
 72 VAL  HN     72 VAL  QG2     600.90    
 72 VAL  HN     73 HINH HN     1117.47    
 72 VAL  HA     73 HINH HN       66.34    
 72 VAL  QG1   109 HEMC QM5     145.44    
 72 VAL  QG2    73 HINH HN       55.05    
 72 VAL  QG2   109 HEMC QM5     390.67    
 73 HINH HN     73 HINH HA      332.99    
 73 HINH HN     74 ASP- HN     1031.27    
 73 HINH HA     73 HINH HB3     138.43    
 73 HINH HA     84 ILE  HB      159.41    
 81 FPR  HG2    86 HEMC QT4     284.24    
 81 FPR  HG2    86 HEMC QM3      17.63    
 81 FPR  HG3    86 HEMC QT4     264.67    
 81 FPR  HG3    86 HEMC QM3     299.47    
 81 FPR  HB2    86 HEMC HN       53.16    
 81 FPR  HB2    86 HEMC HA       13.64    
 81 FPR  HB2    86 HEMC HB2     219.99    
 81 FPR  HB2    86 HEMC QT4     186.75    
 81 FPR  HB2    86 HEMC QM3    1205.42    
 81 FPR  HB3    86 HEMC HB2     124.68    
 81 FPR  HB3    86 HEMC QT4      17.53    
 84 ILE  HN     84 ILE  HG12    259.22    
 84 ILE  HN     84 ILE  QD1       8.61    
 84 ILE  HA     87 HINX HB2     133.07    
 84 ILE  QD1   102 THR  HA       60.58    
 84 ILE  QD1   104 CYSH HN       22.70    
 84 ILE  QD1   109 HEMC QM3     200.46    
 85 SER  HA     86 HEMC HN       45.34    
 86 HEMC HN     86 HEMC HA      419.55    
 86 HEMC HN     86 HEMC HB3     712.86    
 86 HEMC HN     87 HINX HN      322.03    
 86 HEMC HA     86 HEMC HB3     187.08    
 86 HEMC HA     89 ASP- HN       36.47    
 86 HEMC HA     89 ASP- HB2     148.95    
 86 HEMC HB2    86 HEMC QT4     912.72    
 86 HEMC HB2    86 HEMC QM3     463.45    
 86 HEMC HB3    86 HEMC QT4      54.69    
 86 HEMC HB3    86 HEMC QM3     324.15    
 86 HEMC HB3    87 HINX HN      201.83    
 86 HEMC HT4A   86 HEMC HBM    1925.06    
 86 HEMC QT4    86 HEMC QM3    1987.33    
 86 HEMC QM5    86 HEMC HA62    197.62    
 86 HEMC QM5    86 HEMC HA63    103.24    
 86 HEMC QM5    90 LYS+ HG2      57.72    
 86 HEMC QM5    90 LYS+ HD2     164.81    
 86 HEMC HA62   86 HEMC HB62    431.16    
 86 HEMC HA62   86 HEMC HB63    149.14    
 86 HEMC HA63   86 HEMC HB62     70.40    
 86 HEMC HA63   86 HEMC HB63    349.30    
 86 HEMC HA72   86 HEMC HB72    170.06    
 86 HEMC HA72   86 HEMC HB73    670.38    
 86 HEMC HA72   86 HEMC QM8     843.72    
 86 HEMC HA72  108 ALA  QB     1129.94    
 86 HEMC HA73   86 HEMC HB72    580.58    
 86 HEMC HA73   86 HEMC QM8      51.73    
 86 HEMC HA73  108 ALA  QB      531.91    
 86 HEMC HB73   86 HEMC QM8      63.32    
 86 HEMC QM8   108 ALA  QB     1242.82    
 86 HEMC QM1    86 HEMC QT2    1028.35    
 86 HEMC QM1   109 HEMC HT4A    547.16    
 86 HEMC QM1   109 HEMC HBM     400.91    
 86 HEMC QT2   109 HEMC QM5     156.93    
 87 HINX HN     87 HINX HB2     478.04    
 87 HINX HN     88 LYS+ HN      216.11    
 87 HINX HB2    88 LYS+ HN      257.81    
 87 HINX HB2   102 THR  QG2     294.04    
 87 HINX HB3   101 LEU  HB2     155.70    
 87 HINX HB3   101 LEU  HB3     210.60    
 87 HINX HB3   102 THR  QG2     336.04    
101 LEU  HN    101 LEU  HA      281.57    
101 LEU  HA    101 LEU  HG       24.35    
101 LEU  HA    101 LEU  QD2     440.03    
102 THR  HA    109 HEMC QM3    1130.98    
102 THR  HG1   102 THR  QG2     123.34    
104 CYSH HN    104 CYSH HA       84.19    
104 CYSH HN    104 CYSH HB2     491.99    
104 CYSH HN    104 CYSH HB3      75.59    
104 CYSH HN    105 LYS+ HN      119.66    
104 CYSH HA    104 CYSH HB3     986.73    
104 CYSH HB2   109 HEMC QM1     152.62    
104 CYSH HB3   105 LYS+ HN       30.20    
104 CYSH HB3   109 HEMC QM1     302.75    
107 SER  HN    107 SER  HG      161.29    
107 SER  HG    109 HEMC QM3     112.04    
108 ALA  QB    109 HEMC HN      274.82    
109 HEMC HN    109 HEMC HB2     188.00    
109 HEMC HT4A  109 HEMC HBM    2994.34    
109 HEMC QM5   109 HEMC HA62    773.84    
109 HEMC HA62  109 HEMC HB62    946.42    
109 HEMC HA62  109 HEMC HB63     99.85    
109 HEMC HA63  109 HEMC HGM     647.06    
109 HEMC HB63  109 HEMC HGM    1065.40    
109 HEMC HA72  109 HEMC HB72      6.33    
109 HEMC HA72  109 HEMC HB73    440.47    
109 HEMC HA72  109 HEMC QM8     285.21    
109 HEMC HB72  109 HEMC QM8     382.31    
110 HINX HA    110 HINX HB2     341.16    
110 HINX HA    111 FPR  HD2     793.88    
#Upper volume limits
#80ms DATA
  1 VAL  HA      1 VAL  QG1     251.98     
  1 VAL  HA      1 VAL  QG2     228.20     
  1 VAL  HA      2 ASP- HN     1097.35     
  1 VAL  HB      2 ASP- HN      125.20     
  1 VAL  HB      5 ALA  HA       35.78     
  1 VAL  QG1     2 ASP- HN      173.47     
  1 VAL  QG1     2 ASP- HA       44.25     
  1 VAL  QG1     3 VAL  HN       47.22     
  1 VAL  QG1     3 VAL  HB       36.90     
  1 VAL  QG2     2 ASP- HN      147.60     
  1 VAL  QG2     2 ASP- HA       58.43     
  1 VAL  QG2     3 VAL  HN       42.50     
  1 VAL  QG2    46 TYRF HB3     144.45     
  2 ASP- HN      2 ASP- HA      451.10     
  2 ASP- HN      2 ASP- HB2     693.86     
  2 ASP- HN      2 ASP- HB3     191.12     
  2 ASP- HA      2 ASP- HB2     355.50     
  2 ASP- HA      2 ASP- HB3    1024.90     
  2 ASP- HA      3 VAL  HN     2116.71     
  2 ASP- HA      3 VAL  QG2      65.33     
  2 ASP- HB2     3 VAL  HN      217.90     
  2 ASP- HB3     3 VAL  HN      443.22     
  3 VAL  HN      3 VAL  HA      473.09     
  3 VAL  HN      3 VAL  HB      477.46     
  3 VAL  HN      3 VAL  QG1     609.16     
  3 VAL  HN      5 ALA  HN       43.75     
  3 VAL  QG1     5 ALA  HN       43.67     
  3 VAL  QG1    27 SER  HN       67.46     
  4 FPR  HG2     4 FPR  HA    27577.00     
  4 FPR  HG3     4 FPR  HA    11550.62     
  4 FPR  HG3    27 SER  HN     1625.49     
  5 ALA  HN      5 ALA  HA      598.04     
  5 ALA  HN      5 ALA  QB     1173.12     
  5 ALA  HN      6 ASP- HN      125.88     
  5 ALA  HA      6 ASP- HN     1667.76     
  5 ALA  HA      6 ASP- HA       70.80     
  5 ALA  QB      6 ASP- HN      714.78     
  5 ALA  QB      6 ASP- HA       65.31     
  6 ASP- HN      6 ASP- HA      326.98     
  6 ASP- HN      6 ASP- HB2     653.21     
  6 ASP- HN      6 ASP- HB3    1297.16     
  6 ASP- HN      7 GLY  HN       82.44     
  6 ASP- HA      6 ASP- HB2     681.07     
  6 ASP- HA      6 ASP- HB3     574.29     
  6 ASP- HA      7 GLY  HN     1280.67     
  6 ASP- HA      7 GLY  HA1      46.00     
  6 ASP- HA      7 GLY  HA2     179.95     
  6 ASP- HA      8 ALA  HN      228.76     
  6 ASP- HA      8 ALA  QB       63.36     
  6 ASP- HA     23 VAL  QG1      73.14     
  6 ASP- HA     25 ASN  HB2     457.44     
  6 ASP- HB2     7 GLY  HN      891.28     
  6 ASP- HB2    25 ASN  HA      707.31     
  6 ASP- HB2    46 TYRF HD1      74.49     
  6 ASP- HB2    46 TYRF HD2      74.38     
  6 ASP- HB3     7 GLY  HN      359.62     
  6 ASP- HB3    25 ASN  HD21     48.82     
  7 GLY  HN      7 GLY  HA1     516.02     
  7 GLY  HN      7 GLY  HA2     875.32     
  7 GLY  HN      8 ALA  HN      546.13     
  7 GLY  HN     23 VAL  QG1     268.29     
  7 GLY  HN     25 ASN  HA     1344.53     
  7 GLY  HN     25 ASN  HB2      55.82     
  7 GLY  HN     46 TYRF HB3      92.71     
  7 GLY  HA1     8 ALA  HN      364.88     
  7 GLY  HA1    23 VAL  QG1     451.03     
  7 GLY  HA1    25 ASN  HN       45.12     
  7 GLY  HA2     8 ALA  HN      345.31     
  7 GLY  HA2    23 VAL  QG1     999.51     
  7 GLY  HA2    23 VAL  QG2      72.92     
  7 GLY  HA2    25 ASN  HN       50.56     
  7 GLY  HA2    25 ASN  HD21     32.17     
  8 ALA  HN      8 ALA  HA      476.00     
  8 ALA  HN      8 ALA  QB     1086.15     
  8 ALA  HN     23 VAL  HA       49.09     
  8 ALA  HN     23 VAL  QG1     183.50     
  8 ALA  HN     24 PHE  HN      318.48     
  8 ALA  HN     24 PHE  HA       46.20     
  8 ALA  HN     25 ASN  HA      239.89     
  8 ALA  HA      9 LYS+ HN     2283.42     
  8 ALA  HA      9 LYS+ HA      125.24     
  8 ALA  QB      9 LYS+ HN      277.28     
  8 ALA  QB     10 ILE  QD1     108.51     
  8 ALA  QB     23 VAL  QG1      53.03     
  8 ALA  QB     23 VAL  QG2      46.33     
  8 ALA  QB     24 PHE  HN      235.64     
  9 LYS+ HN      9 LYS+ HA      240.22     
  9 LYS+ HN      9 LYS+ HB2    2096.67     
  9 LYS+ HN      9 LYS+ HB3    1556.60     
  9 LYS+ HN      9 LYS+ HG2      97.25     
  9 LYS+ HN      9 LYS+ HG3      97.25     
  9 LYS+ HN      9 LYS+ HD2    1612.43     
  9 LYS+ HN      9 LYS+ HD3     547.82     
  9 LYS+ HN     23 VAL  QG1      41.32     
  9 LYS+ HN     24 PHE  HN       39.09     
  9 LYS+ HA      9 LYS+ HG2     307.51     
  9 LYS+ HA      9 LYS+ HG3     307.51     
  9 LYS+ HA      9 LYS+ HD3     716.73     
  9 LYS+ HA     10 ILE  HN     4424.53     
  9 LYS+ HA     10 ILE  HG12    102.48     
  9 LYS+ HA     22 VAL  HN       72.17     
  9 LYS+ HA     23 VAL  QG1      88.65     
  9 LYS+ HA     23 VAL  QG2     318.30     
  9 LYS+ HA     24 PHE  HN     2933.78     
  9 LYS+ HB3    11 ASP- HN      351.74     
  9 LYS+ HB3    22 VAL  HN       35.81     
  9 LYS+ HG2     9 LYS+ HD3    1874.94     
  9 LYS+ HG2     9 LYS+ HE2     345.73     
  9 LYS+ HG2     9 LYS+ HE3     347.24     
  9 LYS+ HG2    21 THR  HB     1017.06     
  9 LYS+ HG3     9 LYS+ HD3    1874.94     
  9 LYS+ HG3     9 LYS+ HE2     345.83     
  9 LYS+ HG3     9 LYS+ HE3     345.83     
  9 LYS+ HG3    21 THR  HB     1018.47     
  9 LYS+ HD3     9 LYS+ HE2     294.23     
  9 LYS+ HD3     9 LYS+ HE3     463.36     
  9 LYS+ HD3    10 ILE  HN      427.19     
  9 LYS+ HD3    21 THR  HB      224.96     
  9 LYS+ HD3    23 VAL  HA      330.22     
  9 LYS+ HD3    23 VAL  QG2    2886.97     
  9 LYS+ HE2    23 VAL  QG2     410.77     
  9 LYS+ HE3    23 VAL  QG2     410.64     
 10 ILE  HN     10 ILE  HA      475.88     
 10 ILE  HN     10 ILE  HB      780.37     
 10 ILE  HN     10 ILE  QG2     149.97     
 10 ILE  HN     10 ILE  HG12    397.11     
 10 ILE  HN     10 ILE  HG13    219.57     
 10 ILE  HN     10 ILE  QD1     105.43     
 10 ILE  HN     11 ASP- HN       87.48     
 10 ILE  HN     21 THR  QG2     206.69     
 10 ILE  HN     22 VAL  HN      397.38     
 10 ILE  HN     22 VAL  HB      109.95     
 10 ILE  HN     23 VAL  HA      272.59     
 10 ILE  HA     10 ILE  HB      460.30     
 10 ILE  HA     10 ILE  QG2     727.16     
 10 ILE  HA     10 ILE  HG12    216.23     
 10 ILE  HA     10 ILE  HG13    437.93     
 10 ILE  HA     10 ILE  QD1     154.05     
 10 ILE  HA     11 ASP- HN     2338.35     
 10 ILE  HA     12 PHEF HA       43.82     
 10 ILE  HA     12 PHEF HQD1     47.19     
 10 ILE  HA     12 PHEF HQD2     46.94     
 10 ILE  HA     12 PHEF HQE1    108.17     
 10 ILE  HA     12 PHEF HQE2    107.60     
 10 ILE  HA     12 PHEF HZ       46.99     
 10 ILE  HA     22 VAL  HN       45.61     
 10 ILE  HB     10 ILE  HG12    233.14     
 10 ILE  HB     10 ILE  HG13    345.97     
 10 ILE  HB     10 ILE  QD1     493.53     
 10 ILE  HB     11 ASP- HN       83.22     
 10 ILE  HB     22 VAL  HN      492.45     
 10 ILE  HB     22 VAL  HB      686.79     
 10 ILE  HB     22 VAL  QG1     134.78     
 10 ILE  HB     68 TRP  HZ2     123.80     
 10 ILE  QG2    10 ILE  HG12    529.57     
 10 ILE  QG2    10 ILE  QD1     903.52     
 10 ILE  QG2    11 ASP- HN      288.90     
 10 ILE  QG2    11 ASP- HA       78.61     
 10 ILE  QG2    12 PHEF HN      220.09     
 10 ILE  QG2    12 PHEF HB2      61.73     
 10 ILE  QG2    12 PHEF HQD1    645.26     
 10 ILE  QG2    12 PHEF HQD2    638.89     
 10 ILE  QG2    12 PHEF HQE1    378.72     
 10 ILE  QG2    12 PHEF HQE2    270.16     
 10 ILE  QG2    12 PHEF HZ       89.85     
 10 ILE  QG2    13 ILE  HN       84.99     
 10 ILE  QG2    22 VAL  HN       73.47     
 10 ILE  QG2    22 VAL  HB      163.00     
 10 ILE  QG2    24 PHE  HB3     104.42     
 10 ILE  QG2    68 TRP  HD1      75.21     
 10 ILE  QG2    68 TRP  HE1     386.15     
 10 ILE  QG2    68 TRP  HZ2    1316.31     
 10 ILE  QG2    68 TRP  HH2     145.89     
 10 ILE  HG12   24 PHE  HB3     149.92     
 10 ILE  HG13   11 ASP- HN       92.68     
 10 ILE  HG13   12 PHEF HD1      45.79     
 10 ILE  HG13   12 PHEF HD2      45.34     
 10 ILE  HG13   12 PHEF HQE1     97.55     
 10 ILE  HG13   12 PHEF HQE2     96.61     
 10 ILE  HG13   23 VAL  HA       36.35     
 10 ILE  HG13   24 PHE  HB3     223.16     
 10 ILE  QD1    12 PHEF HQE1    102.86     
 10 ILE  QD1    12 PHEF HQE2    101.20     
 10 ILE  QD1    12 PHEF HZ       71.02     
 10 ILE  QD1    23 VAL  HA       52.81     
 10 ILE  QD1    24 PHE  HN       73.04     
 10 ILE  QD1    24 PHE  HA       59.86     
 10 ILE  QD1    24 PHE  HB2     236.92     
 10 ILE  QD1    24 PHE  HB3     455.56     
 10 ILE  QD1    68 TRP  HZ2     267.65     
 10 ILE  QD1    68 TRP  HH2     115.60     
 11 ASP- HN     11 ASP- HA      359.52     
 11 ASP- HN     11 ASP- HB2     149.00     
 11 ASP- HN     11 ASP- HB3     228.25     
 11 ASP- HN     12 PHEF HN      235.53     
 11 ASP- HN     12 PHEF HQD1    145.58     
 11 ASP- HN     12 PHEF HQD2    144.98     
 11 ASP- HN     12 PHEF HQE1     88.10     
 11 ASP- HN     12 PHEF HQE2     87.70     
 11 ASP- HN     21 THR  HB       33.38     
 11 ASP- HA     11 ASP- HB2     686.54     
 11 ASP- HA     11 ASP- HB3     317.19     
 11 ASP- HA     12 PHEF HN      995.08     
 11 ASP- HA     13 ILE  HN      240.35     
 11 ASP- HA     14 ALA  QB       35.21     
 11 ASP- HA     21 THR  QG2     108.65     
 11 ASP- HB2    21 THR  QG2     668.20     
 11 ASP- HB2    40 GLN  HA       43.94     
 11 ASP- HB3    21 THR  QG2     246.17     
 12 PHEF HN     12 PHEF HB2     640.36     
 12 PHEF HN     12 PHEF HB3     249.76     
 12 PHEF HN     12 PHEF HQD1    343.12     
 12 PHEF HN     12 PHEF HQD2    341.14     
 12 PHEF HA     12 PHEF HD1     270.17     
 12 PHEF HA     12 PHEF HD2     270.17     
 12 PHEF HB2    12 PHEF HQD1    847.27     
 12 PHEF HB2    12 PHEF HQD2    843.12     
 12 PHEF HB2    12 PHEF HE1     126.70     
 12 PHEF HB2    12 PHEF HE2     126.70     
 12 PHEF HB2    50 THR  QG2     133.62     
 12 PHEF HB3    12 PHEF HD1     712.28     
 12 PHEF HB3    12 PHEF HD2     724.60     
 12 PHEF HB3    12 PHEF HE1      83.11     
 12 PHEF HB3    12 PHEF HE2      82.65     
 12 PHEF HB3    13 ILE  HN      136.37     
 12 PHEF HB3    50 THR  QG2     247.34     
 12 PHEF HB3    58 LEU  QD1     134.82     
 12 PHEF HB3    58 LEU  QD2     292.95     
 12 PHEF HB3    68 TRP  HD1      76.64     
 12 PHEF HB3    68 TRP  HE1     116.27     
 12 PHEF HD1    13 ILE  QG2      77.33     
 12 PHEF HD1    58 LEU  QD2      77.33
 12 PHEF HD1    50 THR  QG2     390.99     
 12 PHEF HD1    68 TRP  HD1      45.08     
 12 PHEF HQD1   68 TRP  HE1     592.81     
 12 PHEF HQD1   68 TRP  HZ2     263.04     
 12 PHEF HD2    13 ILE  QG2      76.83
 12 PHEF HD2    58 LEU  QD2      77.33     
 12 PHEF HD2    50 THR  QG2     389.54     
 12 PHEF HD2    68 TRP  HE1     584.36     
 12 PHEF HQD2   68 TRP  HZ2     259.35     
 12 PHEF HQE1   50 THR  QG2     126.69     
 12 PHEF HQE1   68 TRP  HD1      72.03     
 12 PHEF HQE1   68 TRP  HE1     118.28     
 12 PHEF HQE1   68 TRP  HZ2     110.36     
 12 PHEF HQE1   68 TRP  HH2      57.16     
 12 PHEF HQE2   50 THR  QG2     126.05     
 12 PHEF HQE2   68 TRP  HD1      71.43     
 12 PHEF HQE2   68 TRP  HE1     116.94     
 12 PHEF HQE2   68 TRP  HZ2     108.88     
 12 PHEF HQE2   68 TRP  HH2      55.96     
 12 PHEF HZ     50 THR  QG2      64.19     
 13 ILE  HN     13 ILE  HA      388.85     
 13 ILE  HN     13 ILE  HG12    186.74     
 13 ILE  HN     13 ILE  QG2     286.03     
 13 ILE  HN     13 ILE  HB     2668.02     
 13 ILE  HN     13 ILE  HG13   2818.67     
 13 ILE  HN     13 ILE  QD1     229.59     
 13 ILE  HN     58 LEU  QD2     278.71     
 13 ILE  HN     68 TRP  HD1     265.48     
 13 ILE  HA     14 ALA  HN      846.92     
 13 ILE  HG12   58 LEU  HA      485.79     
 13 ILE  HG12   68 TRP  HD1     420.04     
 13 ILE  QG2    13 ILE  HG13   2884.21     
 13 ILE  QG2    13 ILE  QD1    2661.99     
 13 ILE  QG2    14 ALA  HN      629.66     
 13 ILE  HB     58 LEU  HA      133.42     
 13 ILE  HB     68 TRP  HD1    1242.49     
 13 ILE  HB     68 TRP  HE1     776.03     
 13 ILE  HG13   58 LEU  HA      138.02     
 13 ILE  HG13   68 TRP  HD1    1026.54     
 13 ILE  HG13   68 TRP  HE1     809.06     
 13 ILE  QD1    68 TRP  HD1     662.24     
 13 ILE  QD1    68 TRP  HE1     186.18     
 13 ILE  QD1    69 TYRF HN      149.40     
 13 ILE  QD1    69 TYRF HA      187.02     
 14 ALA  HN     14 ALA  QB      940.12     
 14 ALA  HN     58 LEU  QD1    1147.77     
 14 ALA  HA     15 GLY  HN      316.17     
 14 ALA  QB     15 GLY  HN      282.54     
 14 ALA  QB     19 ASN  HB2      17.75     
 14 ALA  QB     20 LEU  HN       44.59     
 14 ALA  QB     69 TYRF HN       39.37     
 15 GLY  HN     15 GLY  HA2     398.30     
 15 GLY  HN     19 ASN  HA     1701.99     
 15 GLY  HN     19 ASN  HB3     106.31     
 15 GLY  HA2    19 ASN  HA      254.18     
 16 GLY  HN     16 GLY  HA1     537.52     
 16 GLY  HN     16 GLY  HA2     567.55     
 16 GLY  HN     19 ASN  HB3     241.84     
 17 GLU- HN     17 GLU- HB2    3860.37     
 17 GLU- HN     17 GLU- HB3    3859.78     
 17 GLU- HA     17 GLU- HB2    2001.55     
 17 GLU- HA     17 GLU- HB3    2001.75     
 18 LYS+ HN     18 LYS+ HG2     684.69     
 18 LYS+ HN     18 LYS+ HG3     684.29     
 18 LYS+ HN     18 LYS+ HD2     238.70     
 18 LYS+ HN     18 LYS+ HD3     238.70     
 18 LYS+ HA     18 LYS+ HB2     809.47     
 18 LYS+ HA     18 LYS+ HB3     812.00     
 19 ASN  HN     19 ASN  HB2    1271.76     
 19 ASN  HN     19 ASN  HB3     371.37     
 19 ASN  HA     19 ASN  HB3     321.73     
 19 ASN  HA     20 LEU  HN      526.93     
 19 ASN  HB2    19 ASN  HD21   1243.01     
 19 ASN  HB2    19 ASN  HD22    243.51     
 19 ASN  HB3    19 ASN  HD21    366.07     
 19 ASN  HB3    19 ASN  HD22    317.15     
 19 ASN  HD21   21 THR  QG2     155.57     
 19 ASN  HD22   21 THR  QG2      66.65     
 20 LEU  HN     20 LEU  HA      187.70     
 20 LEU  HA     20 LEU  HB2    1392.82     
 20 LEU  HA     20 LEU  HB3    1339.69     
 20 LEU  HA     20 LEU  HG      214.46     
 20 LEU  HA     20 LEU  QD1     152.26     
 20 LEU  HA     21 THR  HN      862.26     
 20 LEU  HA     21 THR  HB       56.56     
 20 LEU  QD1    21 THR  HN       59.78     
 20 LEU  QD1    79 ALA  HN       48.34     
 21 THR  HN     21 THR  HA      233.58     
 21 THR  HN     21 THR  HB      250.77     
 21 THR  HN     21 THR  QG2     124.87     
 21 THR  HN     22 VAL  HN     1680.46     
 21 THR  HA     21 THR  HB      334.25     
 21 THR  HA     22 VAL  HN     1502.15     
 21 THR  HB     22 VAL  HN      168.13     
 21 THR  QG2    22 VAL  HN      361.59     
 22 VAL  HN     22 VAL  HA      258.31     
 22 VAL  HA     22 VAL  HB      155.87     
 22 VAL  HA     22 VAL  QG1     267.55     
 22 VAL  HA     23 VAL  HN     1284.22     
 22 VAL  HA     23 VAL  QG2      74.32     
 22 VAL  HA     24 PHE  HN      539.34     
 23 VAL  HN     23 VAL  HA      236.12     
 23 VAL  HN     23 VAL  HB      835.40     
 23 VAL  HN     23 VAL  QG1     137.70     
 23 VAL  HN     23 VAL  QG2     570.08     
 23 VAL  HA     23 VAL  HB      347.94     
 23 VAL  HA     23 VAL  QG1     513.31     
 23 VAL  HA     23 VAL  QG2     646.32     
 23 VAL  HA     24 PHE  HN     2039.84     
 23 VAL  HB     24 PHE  HN       87.40     
 23 VAL  QG1    24 PHE  HN      428.57     
 23 VAL  QG1    25 ASN  HD21    171.92     
 23 VAL  QG1    25 ASN  HD22    347.40     
 23 VAL  QG2    24 PHE  HN      188.93     
 24 PHE  HN     24 PHE  HA     1390.14     
 24 PHE  HN     24 PHE  HB2     459.77     
 24 PHE  HN     24 PHE  HB3     440.07     
 24 PHE  HA     24 PHE  HB3     496.13     
 24 PHE  HA     25 ASN  HN      460.26     
 24 PHE  HB2    25 ASN  HN       68.07     
 25 ASN  HN     25 ASN  HB2     299.52     
 25 ASN  HN     25 ASN  HB3     278.80     
 25 ASN  HA     25 ASN  HB2     482.45     
 25 ASN  HA     25 ASN  HB3     307.76     
 25 ASN  HB2    25 ASN  HD21    534.85     
 25 ASN  HB2    25 ASN  HD22    212.25     
 25 ASN  HB2    27 SER  HN      203.47     
 25 ASN  HB3    25 ASN  HD21    398.43     
 25 ASN  HB3    25 ASN  HD22    275.38     
 25 ASN  HB3    27 SER  HN      101.34     
 27 SER  HN     27 SER  HA      401.93     
 27 SER  HN     27 SER  HB2     204.19     
 27 SER  HN     27 SER  HB3     326.88     
 27 SER  HN     28 THR  QG2      67.46
 27 SER  HA     27 SER  HB2     679.70     
 27 SER  HA     27 SER  HB3     752.89     
 27 SER  HA     28 THR  HN      170.11     
 27 SER  HB3    28 THR  HN       46.54     
 28 THR  HN     28 THR  HA      244.55     
 28 THR  HN     28 THR  QG2     672.51     
 28 THR  HA     28 THR  QG2    1191.17     
 28 THR  HA     30 LYS+ HN      143.08     
 30 LYS+ HN     30 LYS+ HA      772.36     
 30 LYS+ HN     30 LYS+ HB2    3208.48     
 30 LYS+ HN     30 LYS+ HB3    4595.74     
 30 LYS+ HN     30 LYS+ HG2    3218.44     
 30 LYS+ HN     30 LYS+ HD2     485.79     
 30 LYS+ HN     30 LYS+ HD3     485.79     
 30 LYS+ HN     31 ASP- HN      960.75     
 30 LYS+ HA     30 LYS+ HB2     837.69     
 30 LYS+ HA     30 LYS+ HB3     837.69     
 30 LYS+ HA     30 LYS+ HG2    1340.84     
 30 LYS+ HA     30 LYS+ HG3     219.18     
 30 LYS+ HA     30 LYS+ HD2     325.67     
 30 LYS+ HA     30 LYS+ HD3     325.94     
 30 LYS+ HA     31 ASP- HN      212.75     
 30 LYS+ HA     31 ASP- HA       65.42     
 30 LYS+ HB2    30 LYS+ HG3     498.17     
 30 LYS+ HB2    30 LYS+ HD2    1048.18     
 30 LYS+ HB2    30 LYS+ HD3    1050.29     
 30 LYS+ HB2    31 ASP- HN      168.64     
 30 LYS+ HB3    30 LYS+ HG3     498.17     
 30 LYS+ HG3    31 ASP- HN     1192.64     
 30 LYS+ HG3    31 ASP- HA      776.67     
 30 LYS+ HD2    30 LYS+ HE2     922.28     
 30 LYS+ HD2    30 LYS+ HE3     925.44     
 30 LYS+ HD2    31 ASP- HN      189.73     
 30 LYS+ HD3    30 LYS+ HE2     946.09     
 30 LYS+ HD3    30 LYS+ HE3     946.09     
 30 LYS+ HD3    31 ASP- HN      189.73     
 31 ASP- HN     31 ASP- HA      503.24     
 31 ASP- HN     31 ASP- HB2     454.57     
 31 ASP- HN     31 ASP- HB3     691.66     
 31 ASP- HN     32 VAL  HN      925.10     
 31 ASP- HA     31 ASP- HB3     704.98     
 31 ASP- HA     32 VAL  HN      321.56     
 31 ASP- HA     32 VAL  HA       45.51     
 31 ASP- HB2    32 VAL  HN      265.51     
 31 ASP- HB3    32 VAL  HN      158.08     
 32 VAL  HN     32 VAL  HA      477.89     
 32 VAL  HN     32 VAL  HB     3801.32     
 32 VAL  HN     32 VAL  QG1     129.70     
 32 VAL  HA     32 VAL  QG1     712.93     
 32 VAL  HA     32 VAL  QG2     505.61     
 32 VAL  HA     33 LYS+ HN     1569.34     
 32 VAL  HB     33 LYS+ HN      422.60     
 32 VAL  QG1    33 LYS+ HN      522.38     
 32 VAL  QG1    33 LYS+ HB3     121.77     
 32 VAL  QG1    34 CYSH HN       62.62     
 32 VAL  QG1    36 ASP- HN      144.83     
 32 VAL  QG1    36 ASP- HA       82.27     
 32 VAL  QG1    36 ASP- HB2     286.49     
 32 VAL  QG1    36 ASP- HB3     683.90     
 33 LYS+ HN     33 LYS+ HA      282.90     
 33 LYS+ HN     33 LYS+ HB2    1172.57     
 33 LYS+ HN     33 LYS+ HB3     448.61     
 33 LYS+ HN     36 ASP- HB3      85.51     
 33 LYS+ HA     33 LYS+ HB2     856.49     
 33 LYS+ HA     33 LYS+ HB3     801.93     
 33 LYS+ HA     33 LYS+ HE2     332.28     
 33 LYS+ HA     33 LYS+ HE3     332.08     
 33 LYS+ HA     36 ASP- HN      103.61     
 33 LYS+ HB2    35 ASP- HN      195.92     
 33 LYS+ HB3    35 ASP- HN      303.94     
 33 LYS+ HB3    36 ASP- HN      207.45     
 33 LYS+ HB3    36 ASP- HA      743.85     
 33 LYS+ HG2    35 ASP- HN       64.72     
 33 LYS+ HG3    35 ASP- HN       64.97     
 35 ASP- HN     35 ASP- HA      468.03     
 35 ASP- HN     35 ASP- HB2     109.25     
 35 ASP- HN     35 ASP- HB3     331.30     
 35 ASP- HN     36 ASP- HN      592.07     
 35 ASP- HN     36 ASP- HA       55.33     
 35 ASP- HA     35 ASP- HB2     841.68     
 35 ASP- HA     35 ASP- HB3     788.86     
 35 ASP- HA     36 ASP- HN      199.51     
 35 ASP- HA     40 GLN  HN       63.62     
 35 ASP- HA     45 GLN  HG3      53.74     
 35 ASP- HA     45 GLN  HE21    153.23     
 35 ASP- HA     45 GLN  HE22    174.19     
 35 ASP- HB2    40 GLN  HN       58.42     
 35 ASP- HB2    40 GLN  HA       42.02     
 35 ASP- HB2    45 GLN  HE21    253.91     
 35 ASP- HB2    45 GLN  HE22    258.30     
 35 ASP- HB3    45 GLN  HE21    301.78     
 35 ASP- HB3    45 GLN  HE22    533.14     
 36 ASP- HN     36 ASP- HA      393.40     
 36 ASP- HN     36 ASP- HB2     788.22     
 36 ASP- HN     36 ASP- HB3     957.07     
 36 ASP- HA     36 ASP- HB2     582.03     
 36 ASP- HA     36 ASP- HB3     415.97     
 36 ASP- HA     37 HEMC HN      164.54     
 36 ASP- HA     80 LYS+ HG3     458.12     
 36 ASP- HB2    81 FPR  HG2    2216.71     
 36 ASP- HB3    40 GLN  HN       91.38     
 36 ASP- HB3    81 FPR  HG2     129.54     
 40 GLN  HN     41 FPR  HD2      79.32     
 40 GLN  HN     44 LYS+ HB3      56.73     
 40 GLN  HN     45 GLN  HN       57.42     
 40 GLN  HN     45 GLN  HG3      91.38
 40 GLN  HN     45 GLN  HB3      91.38
 40 GLN  HA     40 GLN  HG3     133.78     
 40 GLN  HA     41 FPR  HD2    1365.86     
 40 GLN  HA     41 FPR  HD3    1449.01     
 40 GLN  HA     41 FPR  HG2      98.03     
 40 GLN  HA     41 FPR  HG3      81.15     
 40 GLN  HA     45 GLN  HB2      49.04     
 40 GLN  HB2    40 GLN  HG3    1516.57     
 40 GLN  HB2    44 LYS+ HN       70.37     
 40 GLN  HB2    45 GLN  HA     1295.46     
 41 FPR  HD2    41 FPR  HG2     476.54     
 41 FPR  HD2    41 FPR  HG3     291.17     
 41 FPR  HD2    41 FPR  HA       78.42     
 41 FPR  HD2    41 FPR  HB2     155.33     
 41 FPR  HD2    41 FPR  HB3     142.68     
 41 FPR  HD2    46 TYRF HN       47.24     
 41 FPR  HD3    41 FPR  HA       62.60     
 41 FPR  HD3    41 FPR  HB2     150.29     
 41 FPR  HG2    41 FPR  HA      112.37     
 41 FPR  HG2    45 GLN  HN       37.31     
 41 FPR  HG3    41 FPR  HA       68.37     
 41 FPR  HA     41 FPR  HB2     384.74     
 41 FPR  HA     41 FPR  HB3     799.67     
 41 FPR  HA     42 GLY  HN     1090.24     
 41 FPR  HA     42 GLY  HA2      60.90     
 41 FPR  HA     45 GLN  HB2     102.43     
 41 FPR  HA     45 GLN  HG2      80.03     
 41 FPR  HA     45 GLN  HE21     81.35     
 41 FPR  HA     45 GLN  HE22     66.02     
 41 FPR  HA     46 TYRF HN       37.35     
 41 FPR  HB2    42 GLY  HN      198.79     
 41 FPR  HB3    42 GLY  HN      242.32     
 42 GLY  HN     42 GLY  HA2    3902.17     
 42 GLY  HN     45 GLN  HB2     341.88     
 42 GLY  HA1    46 TYRF HD1      59.16     
 42 GLY  HA1    46 TYRF HD2      62.08     
 43 ASP- HN     43 ASP- HA      304.94     
 43 ASP- HA     44 LYS+ HN      326.40     
 44 LYS+ HN     44 LYS+ HA      309.28     
 44 LYS+ HN     44 LYS+ HB2     296.35     
 44 LYS+ HN     44 LYS+ HG2    1156.77     
 44 LYS+ HN     44 LYS+ HD2      77.89     
 44 LYS+ HN     44 LYS+ HD3     198.38     
 44 LYS+ HN     45 GLN  HN      943.38     
 44 LYS+ HN     45 GLN  HB2     201.82     
 44 LYS+ HA     44 LYS+ HB2     771.18     
 44 LYS+ HA     44 LYS+ HB3     586.67     
 44 LYS+ HA     44 LYS+ HG2    1711.22     
 44 LYS+ HA     44 LYS+ HG3     270.13     
 44 LYS+ HA     44 LYS+ HD2     534.03     
 44 LYS+ HA     44 LYS+ HD3     477.44     
 44 LYS+ HA     44 LYS+ HE2    2056.75     
 44 LYS+ HA     44 LYS+ HE3    2064.09     
 44 LYS+ HA     45 GLN  HN      272.41     
 44 LYS+ HA     46 TYRF HN     1813.43     
 44 LYS+ HB2    44 LYS+ HG3     155.63     
 44 LYS+ HB2    44 LYS+ HD2     378.55     
 44 LYS+ HB2    44 LYS+ HD3     378.55     
 44 LYS+ HG3    44 LYS+ HD3     152.10     
 45 GLN  HN     45 GLN  HA      559.11     
 45 GLN  HN     45 GLN  HB2    1143.68     
 45 GLN  HN     45 GLN  HB3    1036.37     
 45 GLN  HN     45 GLN  HG3    1125.94     
 45 GLN  HN     46 TYRF HN      481.43     
 45 GLN  HA     45 GLN  HB2     769.21     
 45 GLN  HA     45 GLN  HB3    1123.28     
 45 GLN  HA     45 GLN  HG2    1224.52     
 45 GLN  HA     45 GLN  HG3    1244.45     
 45 GLN  HA     46 TYRF HN      131.29     
 45 GLN  HB2    45 GLN  HE22    595.22     
 45 GLN  HB2    46 TYRF HN      333.09     
 45 GLN  HB3    45 GLN  HE21    304.51     
 45 GLN  HB3    45 GLN  HE22    315.05     
 45 GLN  HB3    46 TYRF HN      865.34     
 45 GLN  HG2    45 GLN  HE21    509.44     
 45 GLN  HG2    45 GLN  HE22    806.22     
 45 GLN  HG2    46 TYRF HN     2531.08     
 45 GLN  HG2    46 TYRF HA     7180.39     
 45 GLN  HG3    45 GLN  HE21    327.07     
 45 GLN  HG3    45 GLN  HE22    340.43     
 45 GLN  HG3    46 TYRF HN      949.49     
 46 TYRF HN     46 TYRF HB2     996.71     
 46 TYRF HN     47 ALA  HN      841.05     
 46 TYRF HN     47 ALA  QB       97.82     
 46 TYRF HA     46 TYRF HB3    2049.12     
 46 TYRF HD1    47 ALA  HN       34.37     
 47 ALA  HN     47 ALA  HA      967.57     
 47 ALA  HN     47 ALA  QB      589.50     
 47 ALA  HN     48 GLY  HN      534.46     
 47 ALA  HA     48 GLY  HN      933.14     
 47 ALA  HA     48 GLY  HA2      93.32     
 47 ALA  QB     48 GLY  HN      359.89     
 48 GLY  HN     48 GLY  HA1     494.69     
 48 GLY  HN     48 GLY  HA2    1144.84     
 48 GLY  HN     51 THR  QG2     175.89     
 48 GLY  HA1    51 THR  HN      590.69     
 48 GLY  HA2    50 THR  HN       61.24     
 50 THR  HA     50 THR  QG2     530.84     
 50 THR  HA     51 THR  HN      214.73     
 50 THR  HA     58 LEU  QD2      75.35     
 50 THR  HB     58 LEU  QD2     412.56     
 50 THR  QG2    51 THR  HN      105.08     
 50 THR  QG2    51 THR  HA       47.11     
 50 THR  QG2    58 LEU  QD2     455.72     
 50 THR  QG2    68 TRP  HA      103.32     
 50 THR  QG2    68 TRP  HB2     499.74     
 50 THR  QG2    68 TRP  HB3     123.09     
 50 THR  QG2    68 TRP  HD1     625.95     
 50 THR  QG2    68 TRP  HE3     207.59     
 50 THR  QG2    68 TRP  HE1     105.49     
 50 THR  QG2    68 TRP  HZ2      56.64     
 51 THR  HN     51 THR  HA     1146.01     
 51 THR  HN     51 THR  HB      580.56     
 51 THR  HN     51 THR  QG2     395.53     
 51 THR  HN     52 ASP- HN       80.50     
 51 THR  HN     56 ASN  HA       48.62     
 51 THR  HA     51 THR  HB     1035.88     
 51 THR  HA     52 ASP- HN     3410.79     
 51 THR  QG2    52 ASP- HN     1598.09     
 51 THR  QG2    52 ASP- HB2     154.71     
 52 ASP- HN     52 ASP- HA     2287.62     
 52 ASP- HN     52 ASP- HB2    2764.02     
 52 ASP- HN     52 ASP- HB3    2758.90     
 52 ASP- HN     56 ASN  HB3     510.19     
 52 ASP- HA     53 GLY  HN      788.47     
 52 ASP- HA     53 GLY  HA2     260.96     
 52 ASP- HA     56 ASN  HB2     257.47     
 52 ASP- HA     56 ASN  HB3     240.07     
 52 ASP- HA     56 ASN  HD21    148.59     
 52 ASP- HA     56 ASN  HD22    132.57     
 53 GLY  HN     53 GLY  HA1    1886.88     
 53 GLY  HN     53 GLY  HA2     624.06     
 53 GLY  HN     56 ASN  HB2     615.90     
 53 GLY  HN     56 ASN  HB3      43.78     
 53 GLY  HN     56 ASN  HD22    113.10     
 56 ASN  HN     56 ASN  HA      477.94     
 56 ASN  HN     56 ASN  HB2     253.62     
 56 ASN  HN     56 ASN  HB3     348.61     
 56 ASN  HN     56 ASN  HD21     99.91     
 56 ASN  HN     57 ILE  HN      593.42     
 56 ASN  HN     66 ASN  HA      187.50     
 56 ASN  HN     66 ASN  HB3     256.01     
 56 ASN  HA     56 ASN  HB2     717.53     
 56 ASN  HA     56 ASN  HB3     662.23     
 56 ASN  HA     56 ASN  HD21     51.08     
 56 ASN  HA     57 ILE  HN      207.53     
 56 ASN  HB2    56 ASN  HD21   1029.49     
 56 ASN  HB2    56 ASN  HD22    231.01     
 56 ASN  HB3    56 ASN  HD21    298.45     
 56 ASN  HB3    56 ASN  HD22    100.08     
 57 ILE  HN     57 ILE  HA      320.02     
 57 ILE  HN     57 ILE  HB      580.74     
 57 ILE  HN     57 ILE  QG2     345.60     
 57 ILE  HN     57 ILE  HG12    337.42     
 57 ILE  HN     57 ILE  HG13    337.42     
 57 ILE  HN     57 ILE  QD1     116.81     
 57 ILE  HN     58 LEU  QD2      50.93     
 57 ILE  HN     66 ASN  HB3     109.46     
 57 ILE  HN     67 SER  HA      171.69     
 57 ILE  HN     67 SER  HB3      40.39     
 57 ILE  HA     57 ILE  HB      199.99     
 57 ILE  HA     57 ILE  QG2     544.25     
 57 ILE  HA     57 ILE  HG12    677.22     
 57 ILE  HA     57 ILE  HG13    686.03     
 57 ILE  HA     57 ILE  QD1     235.50     
 57 ILE  HA     58 LEU  HN     1333.69     
 57 ILE  HA     58 LEU  HA       79.75     
 57 ILE  HA     58 LEU  HB2     298.98     
 57 ILE  HA     58 LEU  HB3     300.11     
 57 ILE  HA     59 ASP- HN       75.67     
 57 ILE  HA     67 SER  HA       77.76     
 57 ILE  HB     57 ILE  QD1     406.21     
 57 ILE  HB     58 LEU  HN       92.65     
 57 ILE  HB     66 ASN  HB3      66.05     
 57 ILE  HB     67 SER  HA      883.07     
 57 ILE  QG2    58 LEU  HN      432.95     
 57 ILE  QG2    58 LEU  HA       71.97     
 57 ILE  QG2    59 ASP- HN      670.90     
 57 ILE  QG2    60 LYS+ HN      773.70     
 57 ILE  QG2    62 ASP- HN      366.17     
 57 ILE  QG2    62 ASP- HB2     423.13     
 57 ILE  QG2    62 ASP- HB3     798.07     
 57 ILE  QG2    67 SER  HA      207.70     
 57 ILE  QG2    67 SER  HB3      68.68     
 57 ILE  HG12   58 LEU  HN       80.82     
 57 ILE  HG13   58 LEU  HN       81.79     
 57 ILE  QD1    58 LEU  HN       57.83     
 57 ILE  QD1    62 ASP- HN       54.42     
 57 ILE  QD1    62 ASP- HB3     354.77     
 57 ILE  QD1    64 SER  HN      446.25     
 57 ILE  QD1    66 ASN  HB2     136.00     
 57 ILE  QD1    66 ASN  HB3     452.64     
 57 ILE  QD1    67 SER  HA       55.66     
 57 ILE  QD1    72 VAL  HN       53.62     
 58 LEU  HN     58 LEU  HA      234.36     
 58 LEU  HN     58 LEU  HB2    1161.82     
 58 LEU  HN     58 LEU  HB3    1166.51     
 58 LEU  HN     58 LEU  HG     1165.24     
 58 LEU  HN     58 LEU  QD1     131.20     
 58 LEU  HN     58 LEU  QD2     132.61     
 58 LEU  HN     59 ASP- HN      355.21     
 58 LEU  HA     58 LEU  HB2    1623.31     
 58 LEU  HA     58 LEU  HB3    1632.44     
 58 LEU  HA     58 LEU  HG     1628.18     
 58 LEU  HA     58 LEU  QD1     214.57     
 58 LEU  HA     58 LEU  QD2    1116.48     
 58 LEU  HA     59 ASP- HN      187.47     
 58 LEU  HB2    58 LEU  QD1    3303.86     
 58 LEU  HB2    59 ASP- HN       54.53     
 58 LEU  HB3    58 LEU  QD1    3317.47     
 58 LEU  HB3    59 ASP- HN       54.83     
 58 LEU  QD1    68 TRP  HD1     224.38     
 58 LEU  QD2    68 TRP  HN      284.29     
 58 LEU  QD2    68 TRP  HD1     281.48     
 59 ASP- HN     59 ASP- HA      249.19     
 59 ASP- HN     59 ASP- HB2     839.99     
 59 ASP- HN     59 ASP- HB3     840.05     
 59 ASP- HN     62 ASP- HB2     331.50     
 59 ASP- HA     59 ASP- HB2    1280.45     
 59 ASP- HA     59 ASP- HB3    1280.53     
 59 ASP- HA     60 LYS+ HN     1383.11     
 59 ASP- HA     61 ALA  HN     1387.98     
 59 ASP- HA     61 ALA  QB      222.45     
 59 ASP- HB2    60 LYS+ HN      423.86     
 59 ASP- HB2    61 ALA  HN      146.63     
 59 ASP- HB3    60 LYS+ HN      423.99     
 59 ASP- HB3    61 ALA  HN      146.62     
 59 ASP- HB3    62 ASP- HN      433.18     
 60 LYS+ HN     60 LYS+ HA     1714.52     
 60 LYS+ HN     60 LYS+ HB2    1304.66     
 60 LYS+ HN     60 LYS+ HB3    1095.32     
 60 LYS+ HN     60 LYS+ HG2     708.22     
 60 LYS+ HN     60 LYS+ HG3     706.72     
 60 LYS+ HN     60 LYS+ HD2     464.56     
 60 LYS+ HN     60 LYS+ HD3     458.94     
 60 LYS+ HN     61 ALA  QB     9291.55     
 60 LYS+ HA     60 LYS+ HB2    1097.95     
 60 LYS+ HA     60 LYS+ HB3    1096.49     
 60 LYS+ HA     60 LYS+ HG2    1700.55     
 60 LYS+ HA     60 LYS+ HG3    1695.56     
 60 LYS+ HA     60 LYS+ HD2     104.96     
 60 LYS+ HA     60 LYS+ HD3     104.96     
 60 LYS+ HA     69 TYRF HN      159.56     
 60 LYS+ HA     69 TYRF HE2     202.00
 60 LYS+ HA     69 TYRF HE1     202.00
 60 LYS+ HA     69 TYRF HD1     199.74
 60 LYS+ HA     69 TYRF HD2     199.74
 60 LYS+ HD2    61 ALA  HN      182.88     
 60 LYS+ HD3    61 ALA  HN      182.88     
 61 ALA  HN     61 ALA  HA      233.30     
 61 ALA  HN     61 ALA  QB     1104.41     
 61 ALA  HA     69 TYRF HD1      46.75     
 61 ALA  HA     69 TYRF HD2      46.00     
 61 ALA  QB     62 ASP- HN      638.51     
 61 ALA  QB     69 TYRF HN       35.50     
 62 ASP- HN     62 ASP- HA      836.81     
 62 ASP- HN     62 ASP- HB2     999.12     
 62 ASP- HN     62 ASP- HB3     672.28     
 62 ASP- HA     62 ASP- HB2     377.84     
 62 ASP- HA     62 ASP- HB3     643.86     
 62 ASP- HA     63 LYS+ HN     1670.39     
 62 ASP- HA     64 SER  HN     1680.97     
 62 ASP- HB2    64 SER  HN       50.37     
 62 ASP- HB2    67 SER  HA       55.78     
 62 ASP- HB2    67 SER  HB2     717.97     
 62 ASP- HB2    67 SER  HB3     459.48     
 62 ASP- HB3    63 LYS+ HN      168.60     
 62 ASP- HB3    67 SER  HB2      72.20     
 62 ASP- HB3    67 SER  HB3     126.32     
 63 LYS+ HN     63 LYS+ HA     1373.40     
 63 LYS+ HN     63 LYS+ HB2    1056.84     
 63 LYS+ HN     63 LYS+ HB3    1057.08     
 63 LYS+ HN     63 LYS+ HG2     679.75     
 63 LYS+ HN     63 LYS+ HG3     679.90     
 63 LYS+ HN     63 LYS+ HD2     272.85     
 63 LYS+ HN     63 LYS+ HD3     324.61     
 63 LYS+ HA     63 LYS+ HB2     713.74     
 63 LYS+ HA     63 LYS+ HB3     713.92     
 63 LYS+ HA     63 LYS+ HG2     643.34     
 63 LYS+ HA     63 LYS+ HG3     643.34     
 63 LYS+ HA     63 LYS+ HD2     715.86     
 63 LYS+ HA     63 LYS+ HD3     715.88     
 63 LYS+ HA     64 SER  HN     1383.57     
 63 LYS+ HA     67 SER  HB2      56.90     
 63 LYS+ HA     70 LYS+ HB2     741.68     
 63 LYS+ HA     70 LYS+ HG2     751.61     
 63 LYS+ HA     70 LYS+ HG3     754.35     
 63 LYS+ HA     70 LYS+ HD2     538.87     
 63 LYS+ HA     70 LYS+ HD3     538.87     
 63 LYS+ HD2    64 SER  HN      274.75     
 64 SER  HN     64 SER  HA     1711.81     
 64 SER  HN     64 SER  HB2     207.90     
 64 SER  HN     64 SER  HB3     207.90     
 64 SER  HN     65 VAL  HN      132.66     
 64 SER  HN     67 SER  HB2    1145.13     
 64 SER  HN     67 SER  HB3     114.21     
 64 SER  HN     70 LYS+ HD2      56.62     
 64 SER  HN     70 LYS+ HE2      31.95     
 64 SER  HN     70 LYS+ HE3      32.19     
 64 SER  HA     64 SER  HB2     554.81     
 64 SER  HA     64 SER  HB3     554.81     
 64 SER  HA     65 VAL  HN     1183.59     
 64 SER  HA     65 VAL  QG2      50.81     
 64 SER  HA     66 ASN  HN      121.22     
 64 SER  HB2    65 VAL  QG2     467.07     
 64 SER  HB2    66 ASN  HN      263.11     
 64 SER  HB2    67 SER  HN      396.05     
 64 SER  HB3    66 ASN  HN      260.80     
 64 SER  HB3    67 SER  HN      392.27     
 65 VAL  HN     65 VAL  HA      798.67     
 65 VAL  HN     65 VAL  HB      888.74     
 65 VAL  HN     66 ASN  HN      166.31     
 65 VAL  HA     65 VAL  HB     1603.79     
 65 VAL  HA     65 VAL  QG1    1229.89     
 65 VAL  HA     65 VAL  QG2     569.89     
 65 VAL  HA     66 ASN  HN      316.28     
 65 VAL  HA     66 ASN  HA      120.82     
 65 VAL  HA     70 LYS+ HE2     106.84     
 65 VAL  HA     70 LYS+ HE3     106.84     
 65 VAL  HB     66 ASN  HD21     89.69     
 65 VAL  QG1    66 ASN  HB3     175.98     
 65 VAL  QG2    66 ASN  HN      211.00     
 65 VAL  QG2    66 ASN  HA      110.12     
 66 ASN  HN     66 ASN  HA      321.23     
 66 ASN  HN     66 ASN  HB2     538.05     
 66 ASN  HN     66 ASN  HB3     191.93     
 66 ASN  HN     67 SER  HN      638.57     
 66 ASN  HA     66 ASN  HB2     420.18     
 66 ASN  HA     66 ASN  HD21    781.42     
 66 ASN  HA     66 ASN  HD22    266.36     
 66 ASN  HA     67 SER  HN      271.12     
 66 ASN  HB2    66 ASN  HD21    929.73     
 66 ASN  HB2    66 ASN  HD22    148.86     
 66 ASN  HB2    67 SER  HN       68.18     
 66 ASN  HB3    66 ASN  HD21    295.15     
 66 ASN  HB3    66 ASN  HD22    255.40     
 67 SER  HN     67 SER  HA      270.65     
 67 SER  HN     67 SER  HB2     866.22     
 67 SER  HN     67 SER  HB3     518.50     
 67 SER  HN     69 TYRF HN      161.27     
 67 SER  HN     70 LYS+ HB2     468.47     
 67 SER  HN     70 LYS+ HB3     325.54     
 67 SER  HA     67 SER  HB2     198.80     
 67 SER  HA     67 SER  HB3     362.27     
 67 SER  HA     68 TRP  HN     1066.17     
 67 SER  HA     68 TRP  HB2      80.52     
 67 SER  HA     68 TRP  HB3      78.55     
 67 SER  HB2    69 TYRF HD1      40.21     
 67 SER  HB2    69 TYRF HD2      39.32     
 67 SER  HB2    69 TYRF HE1      22.74     
 67 SER  HB2    69 TYRF HE2      22.70     
 67 SER  HB2    70 LYS+ HN      120.03     
 67 SER  HB2    70 LYS+ HB2     758.42     
 67 SER  HB2    70 LYS+ HB3     262.20     
 67 SER  HB2    70 LYS+ HD2     148.99     
 67 SER  HB2    70 LYS+ HD3     148.00     
 67 SER  HB3    69 TYRF HN       40.91     
 67 SER  HB3    70 LYS+ HB2     471.57     
 67 SER  HB3    70 LYS+ HB3     105.21     
 67 SER  HB3    71 VAL  HN      534.20     
 68 TRP  HN     68 TRP  HA      390.45     
 68 TRP  HN     68 TRP  HB2     753.82     
 68 TRP  HN     68 TRP  HB3     727.02     
 68 TRP  HN     68 TRP  HD1     266.37     
 68 TRP  HN     69 TYRF HN      234.11     
 68 TRP  HA     68 TRP  HB2     775.83     
 68 TRP  HA     68 TRP  HB3     380.19     
 68 TRP  HA     68 TRP  HE3    1267.81     
 68 TRP  HA     69 TYRF HN      103.25     
 68 TRP  HA     71 VAL  HN      138.47     
 68 TRP  HA     71 VAL  QG1    1231.03     
 68 TRP  HB2    68 TRP  HD1     243.35     
 68 TRP  HB2    68 TRP  HE3     237.44     
 68 TRP  HB2    69 TYRF HN      170.63     
 68 TRP  HB3    68 TRP  HD1     372.70     
 68 TRP  HB3    69 TYRF HN      313.81     
 68 TRP  HE1    71 VAL  HB       92.59     
 68 TRP  HZ3    72 VAL  QG2     172.82     
 68 TRP  HZ2    72 VAL  QG2      94.44     
 68 TRP  HH2    72 VAL  QG2     137.44     
 69 TYRF HN     69 TYRF HB2     225.83     
 69 TYRF HN     70 LYS+ HN      244.02     
 69 TYRF HA     69 TYRF HB2     178.56     
 69 TYRF HB2    69 TYRF HD1     199.74     
 69 TYRF HB2    69 TYRF HD2     199.74     
 69 TYRF HD1    70 LYS+ HA      114.52     
 69 TYRF HD1    70 LYS+ HB2      50.48     
 69 TYRF HD2    70 LYS+ HA      115.50     
 69 TYRF HD2    70 LYS+ HB2      50.39     
 69 TYRF HE1    70 LYS+ HB2      18.76     
 69 TYRF HE2    70 LYS+ HB2      18.85     
 70 LYS+ HN     70 LYS+ HA      344.28     
 70 LYS+ HN     70 LYS+ HB2     528.26     
 70 LYS+ HN     70 LYS+ HB3     494.02     
 70 LYS+ HN     70 LYS+ HG2     104.88     
 70 LYS+ HN     70 LYS+ HG3     104.88     
 70 LYS+ HN     71 VAL  HN      596.03     
 70 LYS+ HA     70 LYS+ HB2     427.49     
 70 LYS+ HA     70 LYS+ HB3     661.30     
 70 LYS+ HA     70 LYS+ HG2     363.24     
 70 LYS+ HA     70 LYS+ HG3     363.24     
 70 LYS+ HA     70 LYS+ HD2     302.74     
 70 LYS+ HA     70 LYS+ HD3     302.74     
 70 LYS+ HA     71 VAL  HN      145.69     
 70 LYS+ HA     74 ASP- HA       52.60     
 70 LYS+ HA     74 ASP- HB2     529.61     
 70 LYS+ HA     74 ASP- HB3      72.90     
 70 LYS+ HB2    70 LYS+ HG2     510.44     
 70 LYS+ HB2    70 LYS+ HG3     508.58     
 70 LYS+ HB2    70 LYS+ HD2     921.52     
 70 LYS+ HB2    70 LYS+ HD3     921.52     
 70 LYS+ HB2    71 VAL  HN      485.18     
 70 LYS+ HB3    70 LYS+ HG2    2811.40     
 70 LYS+ HB3    70 LYS+ HG3    2811.40     
 70 LYS+ HB3    71 VAL  HN      333.99     
 70 LYS+ HB3    74 ASP- HN       60.93     
 70 LYS+ HG2    74 ASP- HN       90.57     
 70 LYS+ HG2    74 ASP- HB2     518.22     
 70 LYS+ HG3    74 ASP- HN       90.57     
 70 LYS+ HD2    70 LYS+ HE2    1338.74     
 70 LYS+ HD2    70 LYS+ HE3    1338.74     
 70 LYS+ HD3    70 LYS+ HE2    1338.74     
 70 LYS+ HD3    70 LYS+ HE3    1338.74     
 70 LYS+ HE2    74 ASP- HA      112.87     
 70 LYS+ HE3    74 ASP- HA      112.87     
 71 VAL  HN     71 VAL  HA      517.52     
 71 VAL  HN     72 VAL  HN      546.61     
 71 VAL  HN     74 ASP- HB3     133.02     
 71 VAL  HA     74 ASP- HB2     257.76     
 71 VAL  HA     82 THR  QG2     737.36     
 71 VAL  HB     82 THR  HB     2549.32     
 72 VAL  HN     72 VAL  HA      296.67     
 74 ASP- HN     74 ASP- HA      603.27     
 74 ASP- HN     74 ASP- HB2    1028.42     
 74 ASP- HN     74 ASP- HB3    1438.15     
 74 ASP- HN     75 ALA  HN       98.30     
 74 ASP- HN     82 THR  HB      813.04     
 74 ASP- HN     82 THR  HG1     111.68     
 74 ASP- HN     82 THR  QG2     382.06     
 74 ASP- HA     74 ASP- HB2     790.16     
 74 ASP- HA     74 ASP- HB3    1402.73     
 74 ASP- HA     75 ALA  HN     1516.21     
 74 ASP- HA     75 ALA  HA       89.13     
 74 ASP- HA     75 ALA  QB      144.44     
 74 ASP- HA     76 LYS+ HN      136.42     
 74 ASP- HA     82 THR  QG2      89.59     
 74 ASP- HA     84 ILE  HB      138.98     
 74 ASP- HB2    75 ALA  HN       94.80     
 74 ASP- HB2    76 LYS+ HN      390.76     
 74 ASP- HB2    77 GLY  HN     1827.58     
 74 ASP- HB2    82 THR  QG2     485.36     
 74 ASP- HB3    75 ALA  HN      161.71     
 74 ASP- HB3    76 LYS+ HN      458.75     
 74 ASP- HB3    77 GLY  HN      459.78     
 74 ASP- HB3    82 THR  HG1     167.52     
 74 ASP- HB3    82 THR  QG2     957.60     
 75 ALA  HN     75 ALA  HA      312.68     
 75 ALA  HN     75 ALA  QB     1150.10     
 75 ALA  HN     76 LYS+ HN      563.31     
 75 ALA  HN     84 ILE  HN       48.54     
 75 ALA  HN     84 ILE  HA       63.52     
 75 ALA  HA     76 LYS+ HN      258.98     
 75 ALA  HA     82 THR  HG1     191.59     
 75 ALA  HA     84 ILE  QG2     889.00     
 75 ALA  QB     76 LYS+ HN      664.64     
 76 LYS+ HN     76 LYS+ HA      734.87     
 76 LYS+ HN     76 LYS+ HG2     161.70     
 76 LYS+ HN     76 LYS+ HG3     161.70     
 76 LYS+ HA     76 LYS+ HB2    1366.28     
 76 LYS+ HA     76 LYS+ HB3    1368.56     
 76 LYS+ HA     76 LYS+ HG2     240.73     
 76 LYS+ HA     76 LYS+ HG3     240.73     
 76 LYS+ HA     77 GLY  HN      735.91     
 76 LYS+ HA     82 THR  HN       33.43     
 76 LYS+ HA     85 SER  HB3      87.33     
 76 LYS+ HB2    82 THR  HN       45.70     
 77 GLY  HN     77 GLY  HA1    1373.30     
 77 GLY  HN     77 GLY  HA2    1373.30     
 77 GLY  HN     78 GLY  HN       64.94     
 77 GLY  HN     82 THR  QG2     169.92     
 77 GLY  HN     85 SER  HB3     180.87     
 77 GLY  HA1    82 THR  HN      411.85     
 77 GLY  HA1    82 THR  QG2     207.98     
 77 GLY  HA2    78 GLY  HN      840.92     
 77 GLY  HA2    81 FPR  HB2     167.52     
 77 GLY  HA2    82 THR  HN      409.46     
 77 GLY  HA2    82 THR  QG2     267.89     
 78 GLY  HN     78 GLY  HA1    1051.51     
 78 GLY  HN     78 GLY  HA2     407.52     
 78 GLY  HN     79 ALA  HN       96.35     
 78 GLY  HN     81 FPR  HA      178.60     
 78 GLY  HN     82 THR  QG2     168.56     
 78 GLY  HA1    79 ALA  HN     1117.67     
 78 GLY  HA1    80 LYS+ HN      441.44     
 78 GLY  HA2    79 ALA  HN      717.28     
 79 ALA  HN     79 ALA  HA      708.04     
 79 ALA  HN     79 ALA  QB     1262.48     
 79 ALA  HN     80 LYS+ HN      732.12     
 79 ALA  HA     80 LYS+ HN      263.71     
 79 ALA  QB     80 LYS+ HN      363.27     
 80 LYS+ HN     80 LYS+ HA      313.78     
 80 LYS+ HN     80 LYS+ HB2     803.99     
 80 LYS+ HN     80 LYS+ HB3     803.99     
 80 LYS+ HN     80 LYS+ HG2     303.48     
 80 LYS+ HN     80 LYS+ HG3     303.48     
 80 LYS+ HA     80 LYS+ HB2     885.40     
 80 LYS+ HA     80 LYS+ HB3     885.40     
 80 LYS+ HA     80 LYS+ HG2    3313.07     
 80 LYS+ HA     80 LYS+ HG3    3313.07     
 80 LYS+ HA     81 FPR  HD3     651.95     
 80 LYS+ HA     81 FPR  HG2      79.11     
 80 LYS+ HA     81 FPR  HG3      82.69     
 80 LYS+ HA     81 FPR  HA      422.73     
 80 LYS+ HA     81 FPR  HB2      58.52     
 80 LYS+ HB2    80 LYS+ HG2    4968.14     
 80 LYS+ HB2    80 LYS+ HG3    4789.73     
 80 LYS+ HB2    80 LYS+ HE2    2065.24     
 80 LYS+ HB2    80 LYS+ HE3    2041.47     
 80 LYS+ HB2    81 FPR  HD3    1094.53     
 80 LYS+ HB3    80 LYS+ HG2    4239.09     
 80 LYS+ HB3    80 LYS+ HG3    4043.19     
 80 LYS+ HB3    80 LYS+ HE2    1760.30     
 80 LYS+ HB3    80 LYS+ HE3    1728.53     
 80 LYS+ HB3    81 FPR  HD3    1094.53     
 81 FPR  HD2    81 FPR  HG2    1101.22     
 81 FPR  HD2    81 FPR  HG3     435.43     
 81 FPR  HD2    81 FPR  HB2     203.30     
 81 FPR  HD2    81 FPR  HB3     212.66     
 81 FPR  HD3    81 FPR  HG2     384.28     
 81 FPR  HD3    81 FPR  HG3     488.29     
 81 FPR  HD3    81 FPR  HA     2333.88     
 81 FPR  HD3    81 FPR  HB2     460.49     
 81 FPR  HD3    81 FPR  HB3     451.30     
 81 FPR  HD3    82 THR  HN     2539.94     
 81 FPR  HG2    81 FPR  HA      121.35     
 81 FPR  HG2    81 FPR  HB2     362.81     
 81 FPR  HG2    81 FPR  HB3     587.21     
 81 FPR  HG3    81 FPR  HA       60.77     
 81 FPR  HG3    81 FPR  HB2     220.24     
 81 FPR  HG3    81 FPR  HB3     276.06     
 81 FPR  HA     81 FPR  HB2     469.91     
 81 FPR  HA     81 FPR  HB3     980.27     
 81 FPR  HA     82 THR  HN     1565.46     
 81 FPR  HA     86 HEMC HN      311.26     
 81 FPR  HB2    82 THR  HN      246.91     
 81 FPR  HB3    82 THR  HN      225.79     
 82 THR  HN     82 THR  HA      297.11     
 82 THR  HN     82 THR  HB     1714.94     
 82 THR  HN     82 THR  HG1     215.51     
 82 THR  HN     82 THR  QG2     472.85     
 82 THR  HN     84 ILE  HN      189.20     
 82 THR  HN     85 SER  HN      199.51     
 82 THR  HN     85 SER  HB3     136.58     
 82 THR  HA     82 THR  HB     1161.12     
 82 THR  HA     82 THR  HG1     221.06     
 82 THR  HA     82 THR  QG2     799.08     
 82 THR  HB     82 THR  HG1    1273.11     
 82 THR  HB     84 ILE  HN     1152.09     
 82 THR  HB     85 SER  HN      664.83     
 82 THR  HG1    82 THR  QG2    1277.04     
 82 THR  HG1    84 ILE  HN      219.80     
 82 THR  HG1    84 ILE  HB      162.54     
 82 THR  HG1    84 ILE  QG2      85.40     
 82 THR  HG1    85 SER  HN     1246.72     
 82 THR  HG1    85 SER  HA      147.45     
 82 THR  HG1    85 SER  HB2     867.01     
 82 THR  HG1    85 SER  HB3     494.30     
 82 THR  QG2    85 SER  HN      124.81     
 82 THR  QG2    85 SER  HB3      85.04     
 84 ILE  HN     84 ILE  HB      592.43     
 84 ILE  HN     84 ILE  QG2     202.11     
 84 ILE  HN     85 SER  HN      727.54     
 84 ILE  HA     84 ILE  QG2    1363.04     
 84 ILE  HB     85 SER  HN      171.27     
 84 ILE  HB    102 THR  HA      368.28     
 84 ILE  HB    102 THR  HB      155.08     
 84 ILE  QG2    85 SER  HN      127.06     
 84 ILE  QG2    85 SER  HA      160.04     
 84 ILE  QG2    88 LYS+ HN      102.45     
 84 ILE  QG2    88 LYS+ HG2     130.58     
 84 ILE  QG2    88 LYS+ HE2      98.66     
 84 ILE  QG2    88 LYS+ HE3      98.66     
 84 ILE  QG2   102 THR  HA       96.70     
 84 ILE  QG2   102 THR  HB      270.15     
 84 ILE  QG2   102 THR  QG2     175.56     
 84 ILE  QD1   102 THR  HB      205.23     
 85 SER  HN     85 SER  HA      339.13     
 85 SER  HN     85 SER  HB2     187.52     
 85 SER  HN     85 SER  HB3     501.13     
 85 SER  HA     85 SER  HB2    1913.07     
 85 SER  HA     85 SER  HB3    1002.49     
 85 SER  HA     88 LYS+ HN      151.95     
 85 SER  HA     88 LYS+ HB2     338.66     
 85 SER  HA     88 LYS+ HB3     338.66     
 85 SER  HA     89 ASP- HN      194.90     
 88 LYS+ HN     88 LYS+ HA      349.63     
 88 LYS+ HN     88 LYS+ HB2    1491.49     
 88 LYS+ HN     88 LYS+ HB3    1092.35     
 88 LYS+ HN     88 LYS+ HG2     181.87     
 88 LYS+ HN     88 LYS+ HD2     181.26     
 88 LYS+ HN     89 ASP- HN      755.05     
 88 LYS+ HN    102 THR  QG2     300.82     
 88 LYS+ HA     88 LYS+ HB2     743.95     
 88 LYS+ HA     88 LYS+ HB3     737.92     
 88 LYS+ HA     88 LYS+ HG2    1071.96     
 88 LYS+ HA     88 LYS+ HG3     548.67     
 88 LYS+ HA     88 LYS+ HD2    1072.98     
 88 LYS+ HA     88 LYS+ HD3     547.87     
 88 LYS+ HA     91 ALA  HN       65.71     
 88 LYS+ HA     97 LEU  QD2      42.54     
 88 LYS+ HA    102 THR  QG2     537.64     
 88 LYS+ HB2    89 ASP- HN      611.83     
 88 LYS+ HB3    89 ASP- HN      611.83     
 88 LYS+ HG2    89 ASP- HN      436.77     
 89 ASP- HN     89 ASP- HB2    1386.04     
 89 ASP- HN     89 ASP- HB3    1381.86     
 89 ASP- HN     90 LYS+ HN      715.82     
 89 ASP- HN     91 ALA  HN       74.92     
 89 ASP- HA     91 ALA  HN      239.50     
 89 ASP- HB2    90 LYS+ HN      616.87     
 89 ASP- HB3    90 LYS+ HN      616.87     
 90 LYS+ HN     90 LYS+ HA      382.27     
 90 LYS+ HN     90 LYS+ HB2     817.02     
 90 LYS+ HN     90 LYS+ HB3     817.02     
 90 LYS+ HN     90 LYS+ HD2     320.04     
 90 LYS+ HN     90 LYS+ HD3     320.04     
 90 LYS+ HN     91 ALA  HN      723.46     
 90 LYS+ HN     92 GLY  HN      136.31     
 90 LYS+ HA     90 LYS+ HB2     704.55     
 90 LYS+ HA     90 LYS+ HB3     704.55     
 90 LYS+ HA     90 LYS+ HD2    1089.23     
 90 LYS+ HA     90 LYS+ HD3    1089.23     
 90 LYS+ HA     92 GLY  HN      174.16     
 90 LYS+ HB2    91 ALA  HN      291.52     
 90 LYS+ HB2    92 GLY  HN       45.99     
 90 LYS+ HB3    91 ALA  HN      291.52     
 90 LYS+ HB3    92 GLY  HN       46.42     
 90 LYS+ HD2    90 LYS+ HE2     534.11     
 90 LYS+ HD2    90 LYS+ HE3     529.36     
 90 LYS+ HD3    90 LYS+ HE2     535.99     
 90 LYS+ HD3    90 LYS+ HE3     531.21     
 91 ALA  HN     91 ALA  HA      576.62     
 91 ALA  HN     91 ALA  QB     1194.86     
 91 ALA  HN     92 GLY  HN      575.95     
 91 ALA  HA     92 GLY  HN      173.96     
 91 ALA  HA     94 ASP- HB3      45.51     
 91 ALA  HA     97 LEU  HB3     526.86     
 91 ALA  HA     97 LEU  HB2     223.76     
 91 ALA  HA     97 LEU  QD1     261.14     
 91 ALA  HA     97 LEU  QD2     326.83     
 91 ALA  QB     92 GLY  HN      683.51     
 91 ALA  QB     94 ASP- HB2      43.61     
 92 GLY  HN     92 GLY  HA1    1927.54     
 92 GLY  HN     92 GLY  HA2    1927.54     
 92 GLY  HN     93 ASP- HN      232.24     
 92 GLY  HA1    93 ASP- HN     6748.81     
 92 GLY  HA1    94 ASP- HN      184.09     
 92 GLY  HA2    93 ASP- HN     1892.50     
 93 ASP- HN     93 ASP- HA      213.58     
 93 ASP- HN     93 ASP- HB2     130.90     
 93 ASP- HN     93 ASP- HB3     321.36     
 93 ASP- HN     94 ASP- HN     1286.69     
 93 ASP- HN     98 LYS+ HB2      16.73     
 93 ASP- HA     93 ASP- HB2     534.48     
 93 ASP- HA     93 ASP- HB3     627.66     
 93 ASP- HA     94 ASP- HN      224.52     
 93 ASP- HB2    94 ASP- HN       82.88     
 93 ASP- HB3    94 ASP- HN     1235.61     
 94 ASP- HN     94 ASP- HB2     681.00     
 94 ASP- HN     94 ASP- HB3    1237.14     
 94 ASP- HN     95 LYS+ HN      325.83     
 94 ASP- HN     96 GLU- HN       95.18     
 94 ASP- HN     97 LEU  QD1      50.27     
 94 ASP- HA     95 LYS+ HN      304.16     
 94 ASP- HA     97 LEU  HN       34.52     
 94 ASP- HB2    97 LEU  HN      149.51     
 94 ASP- HB2    97 LEU  HB2     168.99     
 94 ASP- HB2    97 LEU  QD1     166.93     
 94 ASP- HB2    97 LEU  QD2      73.80     
 94 ASP- HB3    95 LYS+ HN      148.09     
 94 ASP- HB3    97 LEU  HN     3886.22     
 94 ASP- HB3    97 LEU  HG      141.88     
 95 LYS+ HN     95 LYS+ HA      579.52     
 95 LYS+ HN     95 LYS+ HB2    1845.81     
 95 LYS+ HN     95 LYS+ HB3    1845.81     
 95 LYS+ HN     95 LYS+ HG3    1142.37     
 95 LYS+ HN     95 LYS+ HD2    1096.89     
 95 LYS+ HN     95 LYS+ HD3    1096.97     
 95 LYS+ HN     96 GLU- HN      412.28     
 95 LYS+ HA     95 LYS+ HB2    1918.09     
 95 LYS+ HA     95 LYS+ HB3    1918.46     
 95 LYS+ HA     95 LYS+ HD2    1426.09     
 95 LYS+ HA     95 LYS+ HD3    1426.25     
 95 LYS+ HA     96 GLU- HN      147.84     
 95 LYS+ HA     97 LEU  HN      100.80     
 95 LYS+ HA     98 LYS+ HN      179.44     
 95 LYS+ HA     98 LYS+ HB2    1925.38     
 95 LYS+ HA     98 LYS+ HB3     133.63     
 95 LYS+ HA     99 LYS+ HN      105.05     
 96 GLU- HN     96 GLU- HA      611.16     
 96 GLU- HN     96 GLU- HB2    1245.28     
 96 GLU- HN     96 GLU- HB3    1245.64     
 96 GLU- HN     96 GLU- HG2     399.47     
 96 GLU- HN     96 GLU- HG3     348.28     
 96 GLU- HN     97 LEU  HN      232.64     
 96 GLU- HN     97 LEU  HB3     277.01     
 96 GLU- HN     97 LEU  HB2      63.86     
 96 GLU- HN     98 LYS+ HN      189.29     
 96 GLU- HN     98 LYS+ HB2     275.94     
 96 GLU- HN     98 LYS+ HB3      47.35     
 96 GLU- HA     96 GLU- HB2    4203.49     
 96 GLU- HA     96 GLU- HB3    4204.46     
 96 GLU- HA     96 GLU- HG2     297.35     
 96 GLU- HA     96 GLU- HG3     302.17     
 96 GLU- HA     97 LEU  HN      166.00     
 96 GLU- HA     99 LYS+ HN      751.08     
 96 GLU- HB2    97 LEU  HN      359.81     
 96 GLU- HB3    97 LEU  HN      275.28     
 97 LEU  HN     97 LEU  HA      418.62     
 97 LEU  HN     97 LEU  HB3     622.73     
 97 LEU  HN     97 LEU  HB2     214.96     
 97 LEU  HN     97 LEU  HG      300.60     
 97 LEU  HN     97 LEU  QD1     118.70     
 97 LEU  HN     97 LEU  QD2     113.07     
 97 LEU  HN     98 LYS+ HN      827.07     
 97 LEU  HN     99 LYS+ HN       96.54     
 97 LEU  HA     97 LEU  HB3     441.86     
 97 LEU  HA     97 LEU  HB2     246.43     
 97 LEU  HA     97 LEU  HG      654.16     
 97 LEU  HA     97 LEU  QD1     307.44     
 97 LEU  HA     97 LEU  QD2     694.17     
 97 LEU  HA     98 LYS+ HN      161.58     
 97 LEU  HA     99 LYS+ HN       51.16     
 97 LEU  HA    100 LYS+ HN      230.52     
 97 LEU  HA    100 LYS+ HB3      46.17     
 97 LEU  HA    100 LYS+ HG3     112.28     
 97 LEU  HB3    97 LEU  QD1     508.35     
 97 LEU  HB3    97 LEU  QD2     784.34     
 97 LEU  HB2    97 LEU  QD1     452.56     
 97 LEU  HB2    97 LEU  QD2     660.27     
 97 LEU  HG    100 LYS+ HN      539.53     
 97 LEU  QD1    98 LYS+ HN       46.88     
 97 LEU  QD2    98 LYS+ HN       70.93     
 97 LEU  QD2   100 LYS+ HB2      42.19     
 97 LEU  QD2   100 LYS+ HB3      50.33     
 97 LEU  QD2   100 LYS+ HG3     106.09     
 98 LYS+ HN     98 LYS+ HA      844.99     
 98 LYS+ HN     98 LYS+ HD2    1313.18     
 98 LYS+ HN     98 LYS+ HD3    1311.17     
 98 LYS+ HN     99 LYS+ HN     1097.93     
 98 LYS+ HA     98 LYS+ HB2    2178.46     
 98 LYS+ HA     98 LYS+ HG2     330.60     
 98 LYS+ HA     98 LYS+ HG3     330.31     
 98 LYS+ HA     98 LYS+ HD2    1058.21     
 98 LYS+ HA     98 LYS+ HD3    1056.45     
 98 LYS+ HA     98 LYS+ HE2     922.97     
 98 LYS+ HA     98 LYS+ HE3     922.97     
 98 LYS+ HA     99 LYS+ HN      157.22     
 98 LYS+ HA    100 LYS+ HN       54.61     
 98 LYS+ HA    101 LEU  HN      916.66     
 98 LYS+ HA    102 THR  HN     2145.30     
 98 LYS+ HA    102 THR  HG1      89.12     
 98 LYS+ HA    102 THR  QG2     135.09     
 98 LYS+ HB2    99 LYS+ HN     2701.89     
 98 LYS+ HB2   100 LYS+ HN     1033.64     
 98 LYS+ HB2   102 THR  HG1      40.61     
 98 LYS+ HG2   102 THR  HB      145.60     
 99 LYS+ HN     99 LYS+ HA      764.35     
 99 LYS+ HN     99 LYS+ HB2    2707.93     
 99 LYS+ HN     99 LYS+ HB3    2714.68     
 99 LYS+ HN     99 LYS+ HG2     275.75     
 99 LYS+ HN     99 LYS+ HG3     275.75     
 99 LYS+ HN     99 LYS+ HD2     688.10     
 99 LYS+ HN     99 LYS+ HD3     688.73     
 99 LYS+ HN    101 LEU  HN     1162.75     
 99 LYS+ HN    102 THR  HN     1232.70     
 99 LYS+ HA     99 LYS+ HB2    4299.19     
 99 LYS+ HA     99 LYS+ HB3    4314.21     
 99 LYS+ HA     99 LYS+ HD2     283.06     
 99 LYS+ HA     99 LYS+ HD3     283.24     
 99 LYS+ HA    101 LEU  HN      149.39     
 99 LYS+ HA    103 GLY  HN      258.78     
 99 LYS+ HB2   100 LYS+ HN     1038.12     
 99 LYS+ HB3   100 LYS+ HN     1041.00     
 99 LYS+ HG2   103 GLY  HN       33.14     
100 LYS+ HN     99 LYS+ HA      510.21
100 LYS+ HN    100 LYS+ HA      511.51     
100 LYS+ HN    100 LYS+ HB2     527.13     
100 LYS+ HN    100 LYS+ HB3     527.13     
100 LYS+ HN    100 LYS+ HG2     705.32     
100 LYS+ HN    100 LYS+ HG3     166.93     
100 LYS+ HN    101 LEU  HN      584.82     
100 LYS+ HN    102 THR  HN      629.31     
100 LYS+ HN    107 SER  HA      107.83     
100 LYS+ HA    100 LYS+ HB2     534.75     
100 LYS+ HA    100 LYS+ HB3     534.75     
100 LYS+ HA    100 LYS+ HG3     507.86     
100 LYS+ HA    100 LYS+ HD3     223.34     
100 LYS+ HA    102 THR  HN      162.28     
100 LYS+ HA    107 SER  HA      777.87     
100 LYS+ HA    107 SER  HB2     227.52     
100 LYS+ HA    108 ALA  HN      421.44     
100 LYS+ HA    108 ALA  QB       97.28     
100 LYS+ HB2   100 LYS+ HG3    1357.35     
100 LYS+ HB2   100 LYS+ HD2     176.51     
100 LYS+ HB2   100 LYS+ HD3     294.11     
100 LYS+ HB2   107 SER  HA       41.61     
100 LYS+ HB3   100 LYS+ HG3    1357.35     
100 LYS+ HB3   100 LYS+ HD2     176.51     
100 LYS+ HB3   100 LYS+ HD3     294.11     
100 LYS+ HB3   107 SER  HA       41.65     
100 LYS+ HG2   100 LYS+ HD3     223.08     
100 LYS+ HG2   101 LEU  HN     1180.51     
100 LYS+ HG3   100 LYS+ HD3    3240.71     
100 LYS+ HG3   100 LYS+ HE2     288.42     
100 LYS+ HG3   100 LYS+ HE3     282.27     
100 LYS+ HG3   107 SER  HA       79.12     
100 LYS+ HG3   108 ALA  HN      139.76     
100 LYS+ HG3   108 ALA  QB      500.39     
100 LYS+ HD3   108 ALA  HN       83.25     
100 LYS+ HD3   108 ALA  QB      236.99     
100 LYS+ HE2   108 ALA  QB      477.61     
100 LYS+ HE3   108 ALA  QB      493.39     
101 LEU  HN    101 LEU  HB3     890.69     
101 LEU  HN    101 LEU  HG     3214.22     
101 LEU  HN    107 SER  HB2      41.55     
101 LEU  HN    108 ALA  QB       46.66     
101 LEU  HA    108 ALA  QB      244.40     
102 THR  HN    102 THR  HB      137.64     
102 THR  HN    102 THR  HG1     153.60     
102 THR  HN    102 THR  QG2     226.70     
102 THR  HN    103 GLY  HN     1180.39     
102 THR  HN    107 SER  HB2      30.57     
102 THR  HA    102 THR  HB      926.16     
102 THR  HA    102 THR  QG2     596.59     
102 THR  HA    103 GLY  HN      156.66     
103 GLY  HN    103 GLY  HA1    1936.94     
103 GLY  HN    103 GLY  HA2    1920.87     
103 GLY  HN    107 SER  HB2      81.48     
103 GLY  HA1   104 CYSH HN      473.08     
103 GLY  HA2   104 CYSH HN      473.08     
105 LYS+ HN    105 LYS+ HA      292.16     
105 LYS+ HN    105 LYS+ HB2     247.62     
105 LYS+ HN    105 LYS+ HB3     621.15     
105 LYS+ HN    105 LYS+ HG2     155.55     
105 LYS+ HN    105 LYS+ HG3     155.55     
105 LYS+ HN    105 LYS+ HD2    1461.05     
105 LYS+ HN    105 LYS+ HD3     603.37     
105 LYS+ HN    106 GLY  HN       92.77     
105 LYS+ HA    105 LYS+ HB2     401.30     
105 LYS+ HA    105 LYS+ HB3     417.61     
105 LYS+ HA    105 LYS+ HG2     240.75     
105 LYS+ HA    105 LYS+ HG3     240.75     
105 LYS+ HA    105 LYS+ HD2     408.78     
105 LYS+ HA    105 LYS+ HD3     409.34     
105 LYS+ HA    106 GLY  HN     1178.04     
105 LYS+ HA    106 GLY  HA1    2708.26     
105 LYS+ HA    106 GLY  HA2    2700.07     
105 LYS+ HA    107 SER  HN      176.25     
105 LYS+ HA    112 SER  HN      412.04     
105 LYS+ HB3   106 GLY  HN      808.10     
105 LYS+ HG2   105 LYS+ HE2     109.43     
105 LYS+ HG2   105 LYS+ HE3     109.37     
105 LYS+ HG3   105 LYS+ HE2     109.71     
105 LYS+ HD2   106 GLY  HN      962.37     
106 GLY  HN    106 GLY  HA1    1722.94     
106 GLY  HN    106 GLY  HA2    1722.94     
106 GLY  HN    107 SER  HN      794.66     
106 GLY  HN    111 FPR  HA      232.19     
106 GLY  HN    112 SER  HN       82.80     
106 GLY  HA1   107 SER  HN      180.54     
106 GLY  HA1   107 SER  HA      553.83     
106 GLY  HA1   111 FPR  HA      496.21     
106 GLY  HA1   112 SER  HN      327.56     
106 GLY  HA2   107 SER  HN      180.54     
106 GLY  HA2   107 SER  HA      552.65     
106 GLY  HA2   111 FPR  HA      496.21     
106 GLY  HA2   112 SER  HN      327.56     
107 SER  HN    107 SER  HA      301.29     
107 SER  HN    107 SER  HB2      51.39     
107 SER  HN    111 FPR  HA      290.00     
107 SER  HA    107 SER  HG      137.27     
107 SER  HA    108 ALA  HN      927.58     
107 SER  HA    108 ALA  QB       94.70     
107 SER  HB2   107 SER  HG      189.66     
107 SER  HB2   108 ALA  HN      752.24     
107 SER  HB2   108 ALA  QB      135.34     
108 ALA  HN    108 ALA  HA      469.34     
108 ALA  HN    108 ALA  QB      853.44     
111 FPR  HD2   111 FPR  HG2     390.03     
111 FPR  HD2   111 FPR  HG3     910.74     
111 FPR  HD2   111 FPR  HB2     889.74     
111 FPR  HD2   111 FPR  HB3      70.56     
111 FPR  HD2   112 SER  HN       87.08     
111 FPR  HD3   111 FPR  HG2      45.93     
111 FPR  HD3   111 FPR  HG3     302.92     
111 FPR  HD3   111 FPR  HB2     294.97     
111 FPR  HG2   111 FPR  HA      161.08     
111 FPR  HG2   112 SER  HN      156.31     
111 FPR  HG3   111 FPR  HA      590.38     
111 FPR  HA    111 FPR  HB2     583.01     
111 FPR  HA    111 FPR  HB3    1031.23     
111 FPR  HA    112 SER  HN      693.19     
111 FPR  HB2   112 SER  HN      268.10     
111 FPR  HB3   112 SER  HN      221.51     
112 SER  HN    112 SER  HB2     285.70     
112 SER  HN    112 SER  HB3     285.70     
#25ms DATA
  1 VAL  HA     37 HEMC QM8     309.65     
  1 VAL  QG1    37 HEMC QM8     473.63     
  1 VAL  QG1    37 HEMC HDM     379.90     
  1 VAL  QG1    37 HEMC QM1     391.51     
  1 VAL  QG1    46 TYRF HD1     188.99     
  1 VAL  QG1    46 TYRF HD2     189.66     
  1 VAL  QG1    46 TYRF HQE1     96.27     
  1 VAL  QG1    46 TYRF HQE2     86.64     
  1 VAL  QG2    37 HEMC QM8     281.15     
  1 VAL  QG2    37 HEMC QM1     216.57     
  1 VAL  QG2    46 TYRF HD1     208.87     
  1 VAL  QG2    46 TYRF HD2     200.85     
  2 ASP- HN     37 HEMC QM8      96.34     
  2 ASP- HA     37 HEMC QM1     125.06     
  3 VAL  HN      3 VAL  QG2     566.33     
  3 VAL  HN     37 HEMC QM1     156.52     
  3 VAL  HA      3 VAL  HB      428.03     
  3 VAL  HA     37 HEMC QM1     240.59     
  3 VAL  QG1    26 HINH HA      665.28     
  3 VAL  QG1    26 HINH HB2     211.08     
  3 VAL  QG1    26 HINH HB3     436.20     
  3 VAL  QG1    37 HEMC QM1     178.27     
  3 VAL  QG2    26 HINH HA      526.82     
  3 VAL  QG2    26 HINH HB2     109.88     
  3 VAL  QG2    26 HINH HB3     265.56     
  3 VAL  QG2    37 HEMC QM1     338.74     
  3 VAL  QG2    37 HEMC QT2     644.12     
  4 FPR  HG3    37 HEMC QM8    1832.13     
  4 FPR  HB3   109 HEMC QM8     458.33     
  6 ASP- HA     26 HINH HN     2821.77     
  7 GLY  HN     26 HINH HN      124.27     
 10 ILE  HB    109 HEMC QM5     258.31     
 10 ILE  QG2    37 HEMC QM5     119.47     
 10 ILE  QG2   109 HEMC QM5     674.55     
 10 ILE  QG2   109 HEMC HA62    653.69     
 10 ILE  QG2   109 HEMC HB62    214.48     
 10 ILE  HG12   24 PHE  HN       91.28     
 10 ILE  QD1    22 VAL  HB      181.14     
 10 ILE  QD1    37 HEMC QM5     693.02     
 10 ILE  QD1    37 HEMC HA63    235.21     
 10 ILE  QD1    37 HEMC HB62    148.42     
 10 ILE  QD1    86 HEMC QM1     256.62     
 10 ILE  QD1    86 HEMC QT2     220.59     
 10 ILE  QD1   109 HEMC QM5     430.49     
 12 PHEF HQE1   37 HEMC HB62    276.49     
 12 PHEF HQE1   37 HEMC HB63     97.51     
 12 PHEF HQE2   37 HEMC HB62    260.25     
 12 PHEF HQE2   37 HEMC HB63     91.49     
 12 PHEF HZ     37 HEMC HB62    231.11     
 13 ILE  QG2   109 HEMC HA72    242.79     
 13 ILE  QD1    69 TYRF HQD1    240.96     
 13 ILE  QD1    69 TYRF HQD2    239.12     
 13 ILE  QD1   109 HEMC HA63    399.00     
 13 ILE  QD1   109 HEMC HA72    185.54     
 20 LEU  HN     20 LEU  HG      617.23     
 20 LEU  HN     20 LEU  QD1     833.72     
 20 LEU  QD1   109 HEMC HDM    8135.14     
 22 VAL  HN     22 VAL  HB     1079.01     
 22 VAL  HN     22 VAL  QG2     360.74     
 22 VAL  HN    109 HEMC HB62    153.69     
 22 VAL  HB    109 HEMC QM5     563.81     
 22 VAL  QG1    23 VAL  HN      630.33     
 22 VAL  QG1    86 HEMC QM8     163.68     
 22 VAL  QG1    86 HEMC QM1     608.33     
 22 VAL  QG1   109 HEMC HA      191.88     
 22 VAL  QG1   109 HEMC QM5     582.14     
 22 VAL  QG2   109 HEMC QM5     345.82     
 23 VAL  HA     25 ASN  HN      188.13     
 25 ASN  HN     25 ASN  HA      373.72     
 25 ASN  HA     26 HINH HN     2873.26     
 26 HINH HN     26 HINH HA      376.48     
 26 HINH HN     26 HINH HB2    1233.42     
 26 HINH HN     26 HINH HB3     397.79     
 26 HINH HA     26 HINH HB2    6193.23     
 26 HINH HA     27 SER  HN      184.56     
 26 HINH HB2    27 SER  HN     1338.99     
 27 SER  HN     28 THR  HN      599.00     
 27 SER  HA     29 HINH HN      182.44     
 28 THR  HN     29 HINH HN     1119.83     
 28 THR  HB     86 HEMC HB72    420.10     
 28 THR  QG2    86 HEMC HB72    410.04     
 28 THR  QG2    29 HINH HN       95.58
 29 HINH HN     29 HINH HA      233.35     
 29 HINH HN     29 HINH HB3     720.30     
 29 HINH HN     30 LYS+ HN     1132.53     
 29 HINH HA     29 HINH HB2     289.07     
 29 HINH HA     30 LYS+ HN      239.18     
 29 HINH HB2    30 LYS+ HN      963.94     
 29 HINH HB2    37 HEMC QT4     849.54     
 31 ASP- HN     32 VAL  QG2     120.61     
 32 VAL  HN     32 VAL  QG2     690.28     
 32 VAL  HB     34 CYSH HA       95.17     
 32 VAL  HB     37 HEMC QM3    2422.08     
 32 VAL  QG1    37 HEMC QM3    1430.32     
 32 VAL  QG1    86 HEMC QT4    1070.09     
 32 VAL  QG1    86 HEMC QM3     236.05     
 32 VAL  QG2    33 LYS+ HN      102.07     
 32 VAL  QG2    37 HEMC QM3     248.58     
 32 VAL  QG2    86 HEMC QT4     477.60     
 32 VAL  QG2    86 HEMC QM5     137.74     
 33 LYS+ HA     34 CYSH HN     1059.96     
 33 LYS+ HB2    34 CYSH HN      135.84     
 33 LYS+ HB3    34 CYSH HN      183.88     
 34 CYSH HN     34 CYSH HA      390.38     
 34 CYSH HN     34 CYSH HB2     530.48     
 34 CYSH HN     34 CYSH HB3     476.22     
 34 CYSH HN     35 ASP- HN      332.21     
 34 CYSH HN     35 ASP- HA      561.79     
 34 CYSH HN     35 ASP- HB2     399.80     
 34 CYSH HN     37 HEMC QT2     101.07     
 34 CYSH HA     34 CYSH HB2     255.37     
 34 CYSH HA     37 HEMC QM3     551.04     
 34 CYSH HA     37 HEMC HAM     999.16     
 34 CYSH HB2    35 ASP- HN      720.25     
 34 CYSH HB2    36 ASP- HN      596.80     
 34 CYSH HB3    37 HEMC HT2A   2464.25     
 34 CYSH HB3    37 HEMC HAM    5897.15     
 35 ASP- HN     37 HEMC HN      168.97     
 35 ASP- HA     37 HEMC HN      300.47     
 35 ASP- HA     38 HINX HN      486.53     
 35 ASP- HA     38 HINX HB2     548.33     
 35 ASP- HA     39 HINH HA      575.02     
 35 ASP- HB2    39 HINH HA      409.42     
 36 ASP- HN     37 HEMC HN     1239.93     
 36 ASP- HB2    37 HEMC HN      168.40     
 36 ASP- HB2    86 HEMC QT4     134.83     
 36 ASP- HB3    37 HEMC HN      290.61     
 36 ASP- HB3    86 HEMC QT4      75.22     
 37 HEMC HN     37 HEMC HA      483.61     
 37 HEMC HN     37 HEMC HB2     871.66     
 37 HEMC HN     38 HINX HN     2142.81     
 37 HEMC HA     37 HEMC HB3     973.29     
 37 HEMC HA     54 HEMC HDM    8592.72     
 37 HEMC HB2    38 HINX HN      743.04     
 37 HEMC HB3    38 HINX HN      244.72     
 37 HEMC HB3    54 HEMC QT2     469.95     
 37 HEMC HT4A   37 HEMC HBM    6410.25     
 37 HEMC HT4A   37 HEMC QM5     175.31     
 37 HEMC QT4    37 HEMC QM3     810.84     
 37 HEMC QT4    37 HEMC HBM     609.21     
 37 HEMC QT4    86 HEMC QM3     247.24     
 37 HEMC QM3    37 HEMC HT2A   3600.02     
 37 HEMC QM5    37 HEMC HA62    450.60     
 37 HEMC QM5    37 HEMC HA63    652.99     
 37 HEMC QM5    37 HEMC HB62    238.39     
 37 HEMC QM5    37 HEMC HB63    415.21     
 37 HEMC QM5    54 HEMC QT2     257.40     
 37 HEMC QM5    68 TRP  HH2     337.86     
 37 HEMC QM5    86 HEMC QT2    1292.63     
 37 HEMC HA62   37 HEMC HB62    586.09     
 37 HEMC HA62   37 HEMC HB63    474.77     
 37 HEMC HA62   37 HEMC HGM    1215.38     
 37 HEMC HA63   37 HEMC HB62    919.79     
 37 HEMC HA63   37 HEMC HB63    497.17     
 37 HEMC HA63   37 HEMC HGM     713.53     
 37 HEMC HB62   49 CYSH HN      189.97     
 37 HEMC HGM    37 HEMC HA73   1351.75     
 37 HEMC HA72   37 HEMC QM8     496.03     
 37 HEMC HA73   37 HEMC HB72   1305.57     
 37 HEMC HA73   37 HEMC QM8     406.63     
 37 HEMC HB72   37 HEMC QM8     216.41     
 37 HEMC HB73   37 HEMC QM8     412.17     
 37 HEMC QM8    46 TYRF HB3     891.64     
 37 HEMC QM8    46 TYRF HQD1    214.40     
 37 HEMC QM8    46 TYRF HQD2    217.39     
 37 HEMC QM1    37 HEMC HT2A    275.68     
 37 HEMC QM1    37 HEMC QT2    1958.23     
 37 HEMC QM1    46 TYRF HQD2    167.07     
 37 HEMC QM1    46 TYRF HQE2    452.90     
 37 HEMC HT2A   37 HEMC HAM    6208.52     
 37 HEMC QT2    37 HEMC HAM     331.10     
 38 HINX HN     38 HINX HA      361.64     
 38 HINX HN     38 HINX HB2     776.13     
 38 HINX HN     38 HINX HB3     200.01     
 38 HINX HA     38 HINX HB3    1341.09     
 38 HINX HA     39 HINH HN     1464.40     
 38 HINX HA     40 GLN  HN      130.99     
 38 HINX HA     54 HEMC QT2     259.15     
 38 HINX HB2    54 HEMC HT2A   3308.61     
 38 HINX HB3    45 GLN  HB3     428.77     
 38 HINX HB3    45 GLN  HG2     276.02     
 38 HINX HB3    45 GLN  HG3     520.87     
 38 HINX HB3    46 TYRF HA     1281.69     
 39 HINH HN     39 HINH HA      573.52     
 39 HINH HN     39 HINH HB2     780.12     
 39 HINH HN     39 HINH HB3     284.91     
 39 HINH HN     40 GLN  HN      519.28     
 39 HINH HA     39 HINH HB2     869.14     
 39 HINH HA     40 GLN  HN      209.49     
 40 GLN  HN     40 GLN  HA      366.38     
 40 GLN  HN     40 GLN  HB2     736.41     
 40 GLN  HN     45 GLN  HA      179.81     
 40 GLN  HA     40 GLN  HB3     301.47     
 44 LYS+ HB2    54 HEMC QM3     228.37     
 44 LYS+ HD3    54 HEMC QM3     228.20     
 45 GLN  HN     45 GLN  HG2     172.47     
 45 GLN  HB3    46 TYRF HD1     331.67     
 45 GLN  HB3    46 TYRF HD2     338.18     
 45 GLN  HG3    46 TYRF HD1     336.15     
 45 GLN  HG3    46 TYRF HD2     350.53     
 46 TYRF HN     46 TYRF HA      445.15     
 46 TYRF HN     46 TYRF HD1     351.51     
 46 TYRF HN     46 TYRF HD2     364.24     
 46 TYRF HA     46 TYRF HB2     370.19     
 46 TYRF HA     47 ALA  HN      262.12     
 46 TYRF HB2    46 TYRF HD1     910.63     
 46 TYRF HB2    46 TYRF HD2     910.63     
 46 TYRF HB3    46 TYRF HD1    1472.90     
 47 ALA  HN     54 HEMC QM3     222.48     
 47 ALA  QB     54 HEMC QM3     671.16     
 48 GLY  HN     49 CYSH HN      101.41     
 48 GLY  HA1    49 CYSH HN     1407.35     
 48 GLY  HA2    49 CYSH HN      337.34     
 49 CYSH HN     49 CYSH HA      489.84     
 49 CYSH HN     49 CYSH HB2     153.58     
 49 CYSH HN     49 CYSH HB3     940.70     
 49 CYSH HN     54 HEMC HT2A    174.02     
 49 CYSH HA     49 CYSH HB2    2786.68     
 49 CYSH HA     49 CYSH HB3    1400.43     
 49 CYSH HA     54 HEMC QM3     748.38     
 49 CYSH HA     54 HEMC HAM    2287.82     
 49 CYSH HB2    68 TRP  HE3     276.70     
 49 CYSH HB3    50 THR  HN      729.05     
 49 CYSH HB3    50 THR  HA      154.85     
 49 CYSH HB3    50 THR  QG2     318.37     
 49 CYSH HB3    68 TRP  HE3     203.21     
 49 CYSH HB3    68 TRP  HZ3     848.25     
 49 CYSH HB3    68 TRP  HH2     193.77     
 50 THR  HA     55 HINX HN      867.71     
 50 THR  HA     55 HINX HB2     668.90     
 50 THR  QG2    55 HINX HB2     428.70     
 50 THR  QG2    55 HINX HB3     127.20     
 51 THR  HN     55 HINX HN      159.62     
 51 THR  HA     54 HEMC HN     2002.05     
 51 THR  HA     55 HINX HN     2270.33     
 51 THR  HG1    54 HEMC QM3    1269.87     
 51 THR  QG2    54 HEMC QM3     137.71     
 53 GLY  HN     54 HEMC HN      712.20     
 53 GLY  HA1    54 HEMC HN     2010.77     
 53 GLY  HA2    54 HEMC HN      147.41     
 54 HEMC HN     54 HEMC HA      641.05     
 54 HEMC HN     54 HEMC HB2     383.20     
 54 HEMC HN     55 HINX HN      203.36     
 54 HEMC HN     56 ASN  HB3     433.99     
 54 HEMC HA     54 HEMC HB2     818.42     
 54 HEMC HA     54 HEMC HBM    1727.10     
 54 HEMC HA     55 HINX HN      356.58     
 54 HEMC HB2    54 HEMC QM3     178.34     
 54 HEMC HB2    55 HINX HN     1707.01     
 54 HEMC HB3    55 HINX HN     5735.15     
 54 HEMC QT4    54 HEMC QM3    1218.56     
 54 HEMC QT4    54 HEMC HBM     452.97     
 54 HEMC QM3    54 HEMC HT2A    413.08     
 54 HEMC QM5    54 HEMC HA62    284.70     
 54 HEMC QM5    54 HEMC HA63   1272.04     
 54 HEMC QM5    54 HEMC HB62    452.44     
 54 HEMC QM5    54 HEMC HB63    243.90     
 54 HEMC QM5    65 VAL  QG1     235.33     
 54 HEMC QM5    65 VAL  QG2     138.45     
 54 HEMC HA62   54 HEMC HGM    4070.85     
 54 HEMC HA63   54 HEMC HB62   1036.28     
 54 HEMC HA63   54 HEMC HGM     650.45     
 54 HEMC HA63   65 VAL  QG1     767.28     
 54 HEMC HA63   65 VAL  QG2     265.71     
 54 HEMC HB62   54 HEMC HGM     693.89     
 54 HEMC HB63   54 HEMC HGM    3041.36     
 54 HEMC HGM    54 HEMC HA73   2047.77     
 54 HEMC HGM    54 HEMC HB73    895.04     
 54 HEMC HA72   54 HEMC HB73    314.31     
 54 HEMC HA72   54 HEMC QM8    1015.04     
 54 HEMC HA72   79 ALA  HN      835.51     
 54 HEMC HA73   54 HEMC HB72    466.17     
 54 HEMC HA73   54 HEMC HB73    673.43     
 54 HEMC HA73   54 HEMC QM8     200.21     
 54 HEMC HA73   80 LYS+ HN      315.34     
 54 HEMC HB72   54 HEMC QM8    2034.50     
 54 HEMC HB72   80 LYS+ HN      805.24     
 54 HEMC HB73   54 HEMC QM8     969.30     
 54 HEMC HB73   65 VAL  QG1     831.64     
 54 HEMC HB73   82 THR  QG2     796.39     
 54 HEMC QM8    71 VAL  HB     2409.40     
 54 HEMC QM8    74 ASP- HB3     308.11     
 54 HEMC QM8    82 THR  HA      788.81     
 54 HEMC HT2A   54 HEMC HAM    8398.84     
 55 HINX HN     55 HINX HA      538.19     
 55 HINX HN     55 HINX HB2     936.58     
 55 HINX HN     55 HINX HB3     259.35     
 55 HINX HN     56 ASN  HN      201.45     
 55 HINX HA     55 HINX HB2     257.06     
 55 HINX HA     55 HINX HB3    1001.20     
 55 HINX HA     66 ASN  HA     1082.77     
 55 HINX HA     66 ASN  HB3     312.51     
 55 HINX HA     66 ASN  HD21     92.11     
 55 HINX HA     68 TRP  HA      129.32     
 55 HINX HB2    68 TRP  HA      879.60     
 55 HINX HB2    68 TRP  HB2     223.48     
 55 HINX HB3    68 TRP  HN      213.08     
 55 HINX HB3    68 TRP  HA     1068.34     
 55 HINX HB3    68 TRP  HB2     338.09     
 55 HINX HB3    68 TRP  HE3     937.25     
 55 HINX HB3    71 VAL  QG1     280.86     
 57 ILE  HN     66 ASN  HA       92.47     
 60 LYS+ HD2   109 HEMC QM8     227.68     
 60 LYS+ HD3   109 HEMC QM8     227.68     
 65 VAL  HN     65 VAL  QG1     613.86     
 65 VAL  HN     65 VAL  QG2     551.85     
 65 VAL  QG1    66 ASN  HN      245.46     
 66 ASN  HA     66 ASN  HB3     807.85     
 68 TRP  HD1   109 HEMC HA63    437.84     
 68 TRP  HE1    72 VAL  QG2      80.33     
 68 TRP  HE1   109 HEMC HA62   1333.60     
 68 TRP  HE1   109 HEMC HA63    422.63     
 68 TRP  HE1   109 HEMC HB62    119.99     
 68 TRP  HZ2   109 HEMC QM5     291.41     
 68 TRP  HZ2   109 HEMC HA62    280.88     
 68 TRP  HH2    86 HEMC QT2     311.20     
 69 TYRF HN     69 TYRF HA      508.32     
 69 TYRF HA     69 TYRF HD1     275.86     
 69 TYRF HA     69 TYRF HD2     272.74     
 69 TYRF HA     72 VAL  HB      306.36     
 69 TYRF HA     72 VAL  QG2     106.11     
 69 TYRF HA     73 HINH HN      226.16     
 69 TYRF HD1   109 HEMC HA72    191.74     
 69 TYRF HD2   109 HEMC HA72    191.74     
 69 TYRF HE1   109 HEMC HDM    2283.20     
 69 TYRF HE2   109 HEMC HDM    2466.99     
 70 LYS+ HA     74 ASP- HN      385.76     
 70 LYS+ HG2    71 VAL  HN      752.93     
 71 VAL  HN     71 VAL  QG1    1022.82     
 71 VAL  HN     73 HINH HN     1952.93     
 71 VAL  QG1    72 VAL  HN      303.11     
 72 VAL  HN     72 VAL  HB     1096.47     
 72 VAL  HN     72 VAL  QG2     731.54     
 72 VAL  HN     73 HINH HN     1275.99     
 72 VAL  HA     72 VAL  QG2    1270.58     
 72 VAL  HA     73 HINH HN      210.64     
 72 VAL  HA     86 HEMC QT2    1365.13     
 72 VAL  QG1   109 HEMC QM5     521.68     
 72 VAL  QG2    73 HINH HN      203.25     
 72 VAL  QG2   109 HEMC QM5     531.01     
 73 HINH HN     73 HINH HA      479.57     
 73 HINH HN     73 HINH HB2    2124.02     
 73 HINH HN     73 HINH HB3    1163.27     
 73 HINH HN     74 ASP- HN     1186.00     
 73 HINH HA     73 HINH HB2     467.05     
 73 HINH HA     73 HINH HB3     329.11     
 73 HINH HA     74 ASP- HN      504.62     
 73 HINH HA     84 ILE  HB      403.01     
 81 FPR  HD2    86 HEMC QT4     126.41     
 81 FPR  HG2    86 HEMC QT4     398.51     
 81 FPR  HG2    86 HEMC QM3     149.14     
 81 FPR  HG3    86 HEMC QT4     481.56     
 81 FPR  HG3    86 HEMC QM3     362.04     
 81 FPR  HA     86 HEMC HB2    1577.73     
 81 FPR  HB2    86 HEMC HN      176.80     
 81 FPR  HB2    86 HEMC HA      123.36     
 81 FPR  HB2    86 HEMC HB2     555.01     
 81 FPR  HB2    86 HEMC QT4     513.59     
 81 FPR  HB2    86 HEMC QM3    1098.28     
 81 FPR  HB3    86 HEMC HA       73.79     
 81 FPR  HB3    86 HEMC HB2     543.59     
 81 FPR  HB3    86 HEMC QT4     221.64     
 82 THR  HN     86 HEMC HN      239.78     
 83 CYSH HN     83 CYSH HA     2423.09     
 83 CYSH HN     86 HEMC QM3    1057.43     
 84 ILE  HN     84 ILE  HG12    556.30     
 84 ILE  HN     84 ILE  HG13    556.30     
 84 ILE  HN     84 ILE  QD1     252.46     
 84 ILE  HN    109 HEMC QT4    1048.68     
 84 ILE  HA     87 HINX HB2     619.73     
 84 ILE  HG12  102 THR  HG1     170.34     
 84 ILE  HG13  102 THR  HG1     192.62     
 84 ILE  QD1   102 THR  HA      381.22     
 84 ILE  QD1   104 CYSH HN      285.65     
 84 ILE  QD1   109 HEMC QM3     642.00     
 84 ILE  QD1   109 HEMC QM1     119.86     
 84 ILE  QD1   109 HEMC HAM    4665.75     
 85 SER  HN     86 HEMC HN     1178.43     
 85 SER  HA     86 HEMC HN      165.54     
 86 HEMC HN     86 HEMC HA      567.33     
 86 HEMC HN     86 HEMC HB2     864.65     
 86 HEMC HN     86 HEMC HB3     889.90     
 86 HEMC HN     87 HINX HN      493.50     
 86 HEMC HA     86 HEMC HB2    1364.36     
 86 HEMC HA     86 HEMC HB3     340.54     
 86 HEMC HA     89 ASP- HN      154.68     
 86 HEMC HA     89 ASP- HB2     307.66     
 86 HEMC HA     89 ASP- HB3     307.66     
 86 HEMC HB2    86 HEMC QT4    1036.05     
 86 HEMC HB2    86 HEMC QM3     607.36     
 86 HEMC HB3    86 HEMC QT4     217.42     
 86 HEMC HB3    86 HEMC QM3     486.38     
 86 HEMC HB3    87 HINX HN      425.22     
 86 HEMC HT4A   86 HEMC HBM    2418.45     
 86 HEMC QT4    86 HEMC QM3    1767.05     
 86 HEMC QM5    86 HEMC HA62    361.76     
 86 HEMC QM5    86 HEMC HA63    272.17     
 86 HEMC QM5    86 HEMC HB62    106.49     
 86 HEMC QM5    86 HEMC HB63    122.94     
 86 HEMC QM5    90 LYS+ HB2     167.81     
 86 HEMC QM5    90 LYS+ HB3     170.76     
 86 HEMC QM5    90 LYS+ HG2     185.41     
 86 HEMC QM5    90 LYS+ HG3     185.41     
 86 HEMC QM5    90 LYS+ HD2     338.35     
 86 HEMC QM5    90 LYS+ HD3     338.35     
 86 HEMC HA62   86 HEMC HB62    621.65     
 86 HEMC HA62   86 HEMC HB63    299.80     
 86 HEMC HA63   86 HEMC HB62    358.59     
 86 HEMC HA63   86 HEMC HB63    504.22     
 86 HEMC HB63  100 LYS+ HD3    2101.51     
 86 HEMC HA72   86 HEMC HB72    336.29     
 86 HEMC HA72   86 HEMC HB73    876.03     
 86 HEMC HA72   86 HEMC QM8     995.94     
 86 HEMC HA72  108 ALA  QB     1257.39     
 86 HEMC HA73   86 HEMC HB72    783.22     
 86 HEMC HA73   86 HEMC QM8     219.45     
 86 HEMC HA73  108 ALA  QB      787.22     
 86 HEMC HB73   86 HEMC QM8     212.96     
 86 HEMC QM8   108 ALA  QB     1377.95     
 86 HEMC QM8   109 HEMC HA      102.54     
 86 HEMC QM1    86 HEMC QT2    1154.61     
 86 HEMC QM1   109 HEMC HT4A    669.93     
 86 HEMC QM1   109 HEMC HBM     853.61     
 86 HEMC QT2   109 HEMC QM5     252.18     
 87 HINX HN     87 HINX HB2     671.17     
 87 HINX HN     88 LYS+ HN      383.19     
 87 HINX HA     90 LYS+ HB2     472.67     
 87 HINX HB2    88 LYS+ HN      456.14     
 87 HINX HB2   102 THR  QG2     430.75     
 87 HINX HB3   101 LEU  HB2     665.87     
 87 HINX HB3   101 LEU  HB3     261.69     
 87 HINX HB3   102 THR  QG2     480.12     
 97 LEU  HG    101 LEU  QD2    1463.95     
101 LEU  HN    101 LEU  HA      439.27     
101 LEU  HA    101 LEU  HG      301.29     
101 LEU  HA    101 LEU  QD2     587.12     
102 THR  HA    109 HEMC QM3    1481.87     
102 THR  HG1   102 THR  QG2     543.81     
104 CYSH HN    104 CYSH HA      468.65     
104 CYSH HN    104 CYSH HB2     853.26     
104 CYSH HN    104 CYSH HB3     246.35     
104 CYSH HN    105 LYS+ HN      555.91     
104 CYSH HA    104 CYSH HB3    1367.37     
104 CYSH HB2   109 HEMC QM1     290.29     
104 CYSH HB3   105 LYS+ HN      176.32     
104 CYSH HB3   109 HEMC QM1     472.25     
107 SER  HN    107 SER  HG      298.09     
107 SER  HN    110 HINX HN      179.08     
107 SER  HG    108 ALA  HN      561.99     
107 SER  HG    109 HEMC QM3     271.64     
107 SER  HG    110 HINX HN      487.83     
108 ALA  HN    109 HEMC HN     2212.50     
108 ALA  HA    109 HEMC HN      415.40     
108 ALA  QB    109 HEMC HN      400.49     
109 HEMC HN    109 HEMC HB2     814.99     
109 HEMC HN    109 HEMC HB3    1133.08     
109 HEMC HN    110 HINX HN     2500.09     
109 HEMC HT4A  109 HEMC HBM    3583.38     
109 HEMC QT4   109 HEMC QM5     399.27     
109 HEMC QM5   109 HEMC HA62    962.29     
109 HEMC HA62  109 HEMC HB62   1121.35     
109 HEMC HA62  109 HEMC HB63    265.77     
109 HEMC HA63  109 HEMC HGM    1094.36     
109 HEMC HB63  109 HEMC HGM    1537.36     
109 HEMC HA72  109 HEMC HB72    262.31     
109 HEMC HA72  109 HEMC HB73    593.55     
109 HEMC HA72  109 HEMC QM8     478.68     
109 HEMC HB72  109 HEMC QM8     532.22     
109 HEMC HB73  109 HEMC QM8     191.36     
109 HEMC HT2A  109 HEMC HAM    5574.60     
110 HINX HA    110 HINX HB2     535.14     
110 HINX HA    111 FPR  HD2    1473.19     
110 HINX HA    112 SER  HN       96.24     


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