NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
21705 2i18 cing 1-original 1 DYANA/DIANA distance general distance simple


1 SER 
        HN      1 SER  QB      4.05
        HN      2 ASP- HN      4.00
        HA      2 ASP- HN      4.00
        O       5 ILE  N       3.00 
        O       5 ILE  HN      2.00
  2 ASP-
        HA      5 ILE  HB      4.50
        HN      3 ASP- HN      3.50 
        HN      2 ASP- HA      3.50   # peak   1500
        HN      2 ASP- HB2     4.00   # peak   2003
        HN      2 ASP- HB3     4.00   # peak   2013
        HA      3 ASP- HN      3.70   # peak   1356
        HB2     5 ILE  HN      4.50   # peak   2129#changed from 4.00
  3 ASP-
        HN      4 LYS+ HN      3.50 
        HN      3 ASP- HA      3.50   # peak   1347
        HN      3 ASP- QB      4.50   # peak   1974
        HA      4 LYS+ HN      3.50   # peak   1624
        QB      4 LYS+ HN      4.34   # peak   2152
  4 LYS+
        HN      4 LYS+ HA      3.50
        HN      4 LYS+ HB2     4.00
        HN      4 LYS+ HB3     4.00
        HN      4 LYS+ QG      5.73
        HN      4 LYS+ QD      5.54
        HN      5 ILE  HN      3.11
        HA      5 ILE  HN      3.51
        HA      7 LEU  QB      4.50
        QB      8 LYS+ HN      5.79
        QB     60 LEU  HG      4.70
        O       8 LYS+ N       3.00
        O       8 LYS+ HN      2.00
  5 ILE 
        HN      5 ILE  HA      3.50
        HN      5 ILE  HB      4.00
        HN      5 ILE  QG1     5.50
        HN      5 ILE  QD1     6.00
        HN      6 GLY  HN      3.20
        HA      6 GLY  HN      3.50
        HA      8 LYS+ QB      4.50
        HB      6 GLY  HN      4.01
        O       9 VAL  N       3.00
        O       9 VAL  HN      2.00
  6 GLY  
        HN      6 GLY  QA      3.50
        HN      7 LEU  HN      3.30
        HN      8 LYS+ HN      5.50
        QA      7 LEU  HN      3.50
        QA      9 VAL  HB      4.50
        O      10 LEU  N       3.00
        O      10 LEU  HN      2.00
  7 LEU 
        QD2     8 LYS+ HN      5.50 
        QD1     8 LYS+ HN      6.03 
        HN      7 LEU  HA      3.50
        HN      7 LEU  HB2     4.00
        HN      7 LEU  HB3     4.00
        HN      7 LEU  HG      4.50
        HN      7 LEU  QD1     5.00
        HN      7 LEU  QD2     5.00
        HN      8 LYS+ HN      3.11 
        HA      8 LYS+ HN      3.51
        HA     10 LEU  HN      4.00
        HA     10 LEU  QB      4.50
        HA     11 TYR  HN      5.50 
        QB      8 LYS+ HN      4.88
        HG      8 LYS+ HN      5.50
        HG     31 PHE  HZ      6.00 
        O      11 TYR  N       3.00
        O      11 TYR  HN      2.00
  8 LYS+
        O      12 LYS+ HN      2.00
        O      12 LYS+ N       3.00
        HA     11 TYR  QB      4.50
        HN      8 LYS+ QG      4.50 
        HN      8 LYS+ HA      3.53   # peak   1790
        HN      8 LYS+ QB      3.83   # peak   2315
        HN      9 VAL  HN      3.14   # peak    336
        HA      9 VAL  HN      3.54   # peak   1789
        HA     11 TYR  HN      4.00   # peak   1793
        QB      9 VAL  HN      4.11   # peak   2316
  9 VAL 
        HN      9 VAL  QG2     6.06
        HN      9 VAL  HA      3.59
        HN      9 VAL  HB      3.89
        HN     10 LEU  HN      3.05
        HA     10 LEU  HN      3.55
        HA     12 LYS+ HN      4.00
        HA     12 LYS+ QB      4.50
        HA     13 LEU  HN      5.50 
        HB     10 LEU  HN      3.02
        QG1    10 LEU  HN      3.86
        QG1    12 LYS+ HN      6.00
        O      13 LEU  N       3.00
        O      13 LEU  HN      2.00
  10 LEU 
        HB2    12 LYS+ HN      4.70    
        HN     10 LEU  HA      3.50
        HN     10 LEU  HB2     4.00
        HN     10 LEU  HB3     4.00
        HN     10 LEU  HG      5.00
        HN     11 TYR  HN      3.51
        HA     11 TYR  HN      3.51
        HA     13 LEU  QB      4.50
        HB2    11 TYR  HN      3.30
        HB3    11 TYR  HN      3.30
        QB     11 TYR  HN      2.83
        HG     13 LEU  HN      5.50
        O      14 MET  N       3.00 
        O      14 MET  HN      2.00
  11 TYR 
        QB     13 LEU  HN      5.50   
        QD     12 LYS+ HN      7.64
 #      HB3    12 LYS+ HN      4.00 
 #      HB2    12 LYS+ HN      2.90  
        HN     11 TYR  HA      3.59
        HN     11 TYR  QB      4.09
        HN     12 LYS+ HN      2.99
        HA     12 LYS+ HN      3.50
        HA     14 MET  QB      4.50
        QB     12 LYS+ HN      3.58
        QB     13 LEU  HN      5.38
 12 LYS+ 
        QD     13 LEU  HN      5.38  
        HN     12 LYS+ HA      3.00
        HN     12 LYS+ QB      3.80
        HN     12 LYS+ QG      5.00
        HN     12 LYS+ QD      6.00
        HN     13 LEU  HN      2.68
        HA     13 LEU  HN      3.50
        HA     15 ASP- HN      4.50
        QB     13 LEU  HN      5.38
        QG     13 LEU  HN      6.31
        QD     14 MET  HN      5.25
 13 LEU 
        QD2    14 MET  HN      4.92 
        QD1    15 ASP- HN      6.00 
 #      HB2    14 MET  HN      4.00  
        HN     13 LEU  HA      3.50
        HN     13 LEU  QB      4.05
        HN     13 LEU  HG      5.05
        HN     13 LEU  QD1     6.00
        HN     13 LEU  QD2     6.00
        HN     13 LEU  QQD     5.60
        HN     14 MET  HN      3.40
        HA     14 MET  HN      4.00
        QB     14 MET  HN      5.38
 14 MET 
#       HB2    15 ASP- HN      4.48  
        HN     14 MET  HA      3.50
        HN     14 MET  QB      4.02
        HN     14 MET  QG      5.00
        HA     15 ASP- HN      4.03 
        QB     15 ASP- HN      4.53
        QG     15 ASP- HN      4.83
 15 ASP- 
        HN     15 ASP- HA      3.52
 #      HN     15 ASP- QB      3.69
        HN     16 VAL  HN      4.20
        HA     16 VAL  HN      4.00
        HB2    16 VAL  HN      4.50
        HB3    16 VAL  HN      4.50
        CG     20 GLY  HN      3.00
 16 VAL 
 #      QG2    17 ASP- HN      4.30 
        HN     16 VAL  QG1     3.43 
        HN     16 VAL  HA      3.50
        HN     16 VAL  HB      4.00 
        HN     16 VAL  QQG     5.00
        HN     17 ASP- HN      4.20
        HA     17 ASP- HN      3.50
        HB     17 ASP- HN      4.50
        QQG    17 ASP- HN      5.50
 17 ASP- 
        HN     17 ASP- HA      3.50
        HN     17 ASP- QB      4.00
        HN     18 GLY  HN      4.00
        HA     18 GLY  HN      4.00 
        QB     18 GLY  HN      4.50
 18 GLY 
        HN     18 GLY  QA      3.50
        HN     19 ASP- HN      4.00 
        HN     20 GLY  HN      4.50 
        QA     19 ASP- HN      4.00
        QA     20 GLY  HN      5.00
 19 ASP-
#       HN     20 GLY  HA2     4.42  
        HN     21 LYS+ HN      6.00
#       HB3    20 GLY  HN      5.50  
        HN     19 ASP- HA      3.50
        HN     19 ASP- HB2     4.17
        HN     19 ASP- HB3     4.17
        HN     19 ASP- QB      3.75
        HN     20 GLY  HN      4.00
        HA     20 GLY  HN      4.50
        QB     20 GLY  HN      5.00
 20 GLY 
        HN     21 LYS+ QB      6.38  
        HN     21 LYS+ HA      4.80 
        HN     20 GLY  HA2     2.85 
        HN     20 GLY  HA1     2.80 
        HN     20 GLY  QA      3.00
        HN     21 LYS+ HN      4.50
        QA     21 LYS+ HN      4.00
 21 LYS+ 
        HN     21 LYS+ HA      3.60
        HN     21 LYS+ QB      4.50
        HN     21 LYS+ QG      5.60
        HN     21 LYS+ QD      5.38
        HA     22 LEU  HN      4.00
        HA     55 THR  HA      2.20
        HA     55 THR  HN      4.70
        HA     22 LEU  HN      2.50
        HN     22 LEU  HN      4.70
        QB     22 LEU  HN      5.00
      # QB     22 LEU  HN      4.50
        QB     54 ILE  HN      6.50
        QB     55 THR  HA      4.50
        QB     55 THR  HB      4.50
 22 LEU 
        HG     23 THR  HN      5.50 
        HA     26 GLU- HN      6.70 
        HA     24 LYS+ HN      6.50
        HN     54 ILE  QG1     6.38 
        HN     53 TYR  HB2     6.00 
        HN     53 TYR  HN      6.50 # modified from 7.50 
        N      54 ILE  O       3.00
        HN     54 ILE  O       2.00
        HN     22 LEU  HG      5.00
        HN     22 LEU  QD1     6.00
        HN     22 LEU  QD2     6.00
        HN     22 LEU  QQD     5.54
        HN     22 LEU  HA      3.00
        HN     54 ILE  HN      3.50
        HN     55 THR  HA      3.70
        HA     23 THR  HN      2.50
        HN     23 THR  HN      4.70
        QD1    23 THR  HN      6.50
        QD2    23 THR  HN      6.50
        O      54 ILE  N       3.00
        O      54 ILE  HN      2.00
 23 THR 
        QG2    26 GLU- HN      6.85
        QG2    24 LYS+ HN      5.00 
        HB     26 GLU- HN      5.94
        HB     24 LYS+ HN      2.77 
        HN     26 GLU- HN      4.36 
        HN     23 THR  QG2     4.00 
        HN     23 THR  HA      3.20
        HN     23 THR  HB      5.00
        HA     53 TYR  HA      2.20
        HA     53 TYR  HN      4.70
        HA     54 ILE  HN      3.70
        OG1    26 GLU- HN      2.10
 24 LYS+ 
        HN     24 LYS+ HA      3.45
        HN     24 LYS+ QB      4.45
        HN     24 LYS+ QG      5.45
        HN     25 GLU- HN      3.42
        HA     25 GLU- HN      3.50
        HA     26 GLU- HN      5.50
        HA     27 VAL  HN      4.00
        HA     27 VAL  HB      4.50
        QB     25 GLU- HN      4.00
        QG     25 GLU- HN      4.56
        O      28 THR  N       3.00
        O      28 THR  HN      2.00
 25 GLU-
        HN     25 GLU- HA      3.20
        HN     25 GLU- QB      4.00
        HN     25 GLU- HG2     5.20
        HN     25 GLU- HG3     5.20
        HN     25 GLU- QG      5.23
        HN     26 GLU- HN      3.11
        HA     26 GLU- HN      3.71
        HA     28 THR  HN      4.00
        HA     28 THR  HB      4.20
        QB     26 GLU- HN      4.12
        O      29 SER  N       3.00
        O      29 SER  HN      2.00
 26 GLU- 
        HN     26 GLU- HA      2.74
        HN     26 GLU- HB2     4.00
        HN     26 GLU- HB3     4.00
        HN     26 GLU- QB      3.65
        HN     26 GLU- QG      4.50
        HN     27 VAL  HN      2.99
        HA     27 VAL  HN      3.50
        HA     29 SER  QB      4.50
        HB2    27 VAL  HN      4.00
        HB3    27 VAL  HN      4.00
        QB     27 VAL  HN      3.78
        QG     27 VAL  HN      4.39
        O      30 PHE  N       3.00
        O      30 PHE  HN      2.00
 27 VAL  
        HN     27 VAL  HA      3.50
        HN     27 VAL  HB      4.00
        HN     27 VAL  QG1     4.17
        HN     27 VAL  QG2     4.17
        HN     27 VAL  QQG     3.57
        HN     28 THR  HN      2.76#chnaged from 2.66
        HA     28 THR  HN      3.46
        HA     30 PHE  HN      4.04
        HA     30 PHE  QB      4.50
        HB     28 THR  HN      4.00
        HB     43 VAL  QQG     6.20
        QG1    28 THR  HN      5.06
        QG1    31 PHE  HN      5.73
        QG2    28 THR  HN      5.04
        QG2    31 PHE  HN      6.00
        QQG    39 VAL  QQG     5.40
        O      31 PHE  N       3.00
        O      31 PHE  HN      2.00
 28 THR 
        HB     31 PHE  HN      5.40   
        HN     28 THR  HA      3.52
        HN     28 THR  HB      3.02
        HN     28 THR  QG2     4.36
        HN     29 SER  HN      3.50
        HA     29 SER  HN      3.50
        HA     30 PHE  HN      5.50
        HA     31 PHE  QB      4.50
        QG2    29 SER  HN      4.76
        O      32 LYS+ N       3.00
        O      32 LYS+ HN      2.00
 29 SER 
        HA     32 LYS+ QB      4.50 
        HN     29 SER  HA      3.48   # peak   3016
        HN     29 SER  QB      3.68   # peak   3017
        HN     30 PHE  HN      2.90   # peak    196
        HN     31 PHE  HN      4.23   # peak    374
        HA     30 PHE  HN      3.50   # peak   3018
        QB     30 PHE  HN      4.33   # peak   3019
 30 PHE 
        HN     30 PHE  HA      3.50
        HN     30 PHE  HB2     4.00
        HN     30 PHE  HB3     4.00
        HN     30 PHE  QB      3.65
        HN     31 PHE  HN      3.10
        HN     32 LYS+ HN      4.32
        HA     31 PHE  HN      3.50
        HB2    31 PHE  HN      4.00
        HB3    31 PHE  HN      4.00
        QB     31 PHE  HN      3.65
 31 PHE 
        HN     31 PHE  HA      2.80
        HN     31 PHE  HB2     4.00
        HN     31 PHE  HB3     4.00
        HN     31 PHE  QB      3.35
        HN     32 LYS+ HN      3.00
        HA     32 LYS+ HN      4.00
        HA     34 HIS  QB      5.80
        QB     34 HIS  QB      6.00
        HZ     59 PHE  HZ      6.00
 32 LYS+ 
        HN     32 LYS+ HA      2.68
        HN     32 LYS+ QB      3.77
        HN     32 LYS+ QG      4.50
        HN     33 LYS+ HN      2.86
        HN     34 HIS  HN      4.30
 #      HA     34 HIS  HN      4.00
        QB     33 LYS+ HN      3.93
        QB     34 HIS  HN      5.50
 33 LYS+ 
        HN     33 LYS+ HA      3.20
        HN     33 LYS+ HB2     4.00
        HN     33 LYS+ HB3     4.00
        HN     33 LYS+ QB      3.45
        HN     33 LYS+ QG      6.08
        HN     34 HIS  HN      3.09
 #      HA     35 GLY  HN      5.00
        HB2    34 HIS  HN      4.00
        HB3    34 HIS  HN      4.00
        QB     34 HIS  HN      3.72
        QG     34 HIS  HN      5.59
 34 HIS 
#       HA     37 GLU- HN      5.30  
        HN     34 HIS  HA      3.50
        HN     35 GLY  HN      4.50
        HN     36 ILE  HN      5.31
#       HA     36 ILE  HN      4.72
        HB2    35 GLY  HN      5.50
        HB2    36 ILE  HN      4.82
        HB3    35 GLY  HN      5.50
        HB3    36 ILE  HN      4.82
        QB     35 GLY  HN      4.17
        QB     36 ILE  HN      3.80
 35 GLY 
#       HA2    37 GLU- HN      4.50 
        HA1    36 ILE  HN      4.00 
        HN     35 GLY  HA2     3.08
        HN     35 GLY  HA1     3.21 
        HN     35 GLY  QA      3.63
        HN     36 ILE  HN      2.73
        QA     37 GLU- QB      6.20
 36 ILE 
        HN     36 ILE  HA      3.51
        HN     36 ILE  HB      4.01
        HN     36 ILE  QG2     4.57
        HN     36 ILE  QG1     4.95
        HN     37 GLU- HN      4.00
        HA     37 GLU- HN      3.50
        HA     40 ALA  HN      6.00
        HA     39 VAL  HB      4.20 
        HA     39 VAL  HN      4.50
        HN     38 LYS+ HN      6.00
        HB     39 VAL  HN      6.00
 #      QG1    38 LYS+ HN      4.76
   
 37 GLU- 
        HN     37 GLU- HA      3.53
        HN     37 GLU- QB      4.03
        HN     37 GLU- QG      3.93
        HN     38 LYS+ HN      3.50
        HN     39 VAL  HN      5.38
        HA     38 LYS+ HN      3.70
        HA     40 ALA  HN      4.50
        HA     40 ALA  QB      4.20
        HA     41 GLU- HN      6.00
    
 38 LYS+ 
        HN     38 LYS+ HA      3.50
        HN     38 LYS+ QB      4.20
        HN     38 LYS+ QG      5.00
        HN     39 VAL  HN      3.73
        HA     39 VAL  HN      3.59
 #      HA     40 ALA  HN      4.45
        HA     42 GLN  HN      5.50
        HA     41 GLU- HN      4.48
        HA     41 GLU- QB      4.50
        QB     39 VAL  HN      4.89
        QG     39 VAL  HN      4.14
        O      42 GLN  N       3.00
        O      42 GLN  HN      2.00
 39 VAL 
        QG2    43 VAL  HN      6.50
        QG2    42 GLN  HN      6.00 
        HN     39 VAL  HA      3.50
        HN     39 VAL  HB      4.00
        HN     39 VAL  QG1     4.79
        HN     39 VAL  QG2     4.79
        HN     39 VAL  QQG     3.90
        HN     40 ALA  HN      3.40
        HA     40 ALA  HN      3.60
        HA     42 GLN  HN      3.30
        HA     42 GLN  QB      4.50
        QG1    40 ALA  HN      6.00
        QG2    40 ALA  HN      6.00
        O      43 VAL  N       3.00
        O      43 VAL  HN      2.00
 40 ALA  
        HN     40 ALA  HA      3.54
        HN     40 ALA  QB      4.50
        HN     41 GLU- HN      2.74
        HA     41 GLU- HN      3.50
        HA     43 VAL  HN      4.00
        HA     43 VAL  HB      4.50
        HA     44 MET  HN      5.50
        QB     41 GLU- HN      3.80
        QB     42 GLN  HN      5.60
        QB     43 VAL  HN      6.00
        O      44 MET  N       3.00
        O      44 MET  HN      2.00
 41 GLU- 
        HN     41 GLU- HA      3.53
        HN     41 GLU- HB2     2.83
        HN     41 GLU- HB3     2.83
        HN     41 GLU- QB      2.49
        HN     42 GLN  HN      2.82
        HA     42 GLN  HN      3.52
        HA     44 MET  HN      3.39
        HA     44 MET  QB      4.50
        O      45 LYS+ N       3.00
        O      45 LYS+ HN      2.00
 42 GLN 
        HN     44 MET  HN      4.29  
        HN     42 GLN  HA      3.50
        HN     42 GLN  QB      4.00
        HN     42 GLN  QG      4.50
        HN     43 VAL  HN      3.00
        HA     43 VAL  HN      3.50
        HA     45 LYS+ QB      4.50
        QG     43 VAL  HN      5.50
        O      46 ALA  N       3.00
        O      46 ALA  HN      2.00
 43 VAL 
        QG1    45 LYS+ HN      6.53  
        HN     43 VAL  HA      3.50
        HN     43 VAL  HB      4.00
        HN     43 VAL  QQG     4.21
        HN     44 MET  HN      2.74
        HN     45 LYS+ HN      5.50
        HA     44 MET  HN      3.54
        HA     45 LYS+ HN      4.42
        HA     46 ALA  HN      4.11
        HA     46 ALA  QB      4.50
        QG1    44 MET  HN      5.66
        QG2    44 MET  HN      5.66
        QQG    44 MET  HN      5.03
 44 MET  
        HN     44 MET  HA      3.50
        HN     44 MET  HB2     4.00
        HN     44 MET  HB3     4.00
        HN     44 MET  QB      3.64
        HN     44 MET  QG      4.30
        HN     45 LYS+ HN      3.21
        HA     45 LYS+ HN      3.51
        HA     46 ALA  HN      4.32
        QG     45 LYS+ HN      6.38
 45 LYS+
        QB     48 ALA  HN      6.26 
        QG     46 ALA  HN      6.38 
        HN     45 LYS+ HA      3.49
        HN     45 LYS+ QB      3.79
        HN     45 LYS+ QG      4.09
        HN     45 LYS+ QD      5.07
        HN     46 ALA  HN      2.80
        HA     46 ALA  HN      3.50
        HA     47 ASP- HN      4.69
        QB     46 ALA  HN      3.93
 46 ALA  
        HN     46 ALA  HA      3.55
        HN     46 ALA  QB      3.55
        HN     47 ASP- HN      2.99
        HA     47 ASP- HN      3.59
        QB     47 ASP- HN      4.50
 47 ASP-
        QB     50 GLY  HN      5.50 
 #      HB2    48 ALA  HN      4.42 
        HA     50 GLY  HN      5.04 
#       HN     47 ASP- HB2     3.59  
        HN     47 ASP- HA      3.50
        HN     47 ASP- QB      3.80
        HN     48 ALA  HN      4.05
        HA     48 ALA  HN      4.50
        HA     49 ASN  HN      4.51
        QB     48 ALA  HN      5.00
        CG     52 GLY  HN      3.00
 48 ALA  
        HN     48 ALA  HA      3.00
        HN     48 ALA  QB      4.00
        HN     49 ASN  HN      4.00#relaxed from 3.50
        HA     49 ASN  HN      4.02
        HA     50 GLY  HN      4.50#relaexed from 4.00
        QB     49 ASN  HN      4.00
 49 ASN 
        HN     49 ASN  HA      3.08
        HN     49 ASN  QB      3.17
        HN     50 GLY  HN      3.50
        HA     50 GLY  HN      4.00
        QB     50 GLY  HN      4.00
 50 GLY  
        HN     50 GLY  QA      3.00
        HN     51 ASP- HN      4.00
        HN     52 GLY  HN      4.80#relaxed from 4.50
        QA     51 ASP- HN      3.50
        QA     52 GLY  HN      5.00
 51 ASP-
        HN     53 TYR HN       5.70
        HN     51 ASP- HA      3.00
        HN     51 ASP- QB      3.50
        HN     52 GLY  HN      3.00
        HA     52 GLY  HN      3.50
        QB     52 GLY  HN      4.30
 52 GLY 
        QA     55 THR  HN      6.34   
        HN     52 GLY  QA      2.70
        HN     53 TYR  HN      4.00
        QA     53 TYR  HN      3.60
 53 TYR 
        HN     53 TYR  HA      3.20
        HN     53 TYR  QB      4.00
        HN     54 ILE  HN      4.70
        HA     54 ILE  HN      2.50
        QB     54 ILE  HN      5.00
 54 ILE 
        QG2    59 PHE  HN      6.09  
        QG2    58 GLU- HN      6.50 
        HN     54 ILE  HA      3.20
        HN     54 ILE  HB      4.00
        HN     54 ILE  QG1     5.00
        HN     54 ILE  QD1     6.00
        HA     54 ILE  HB      3.50
        HN     55 THR  HN      4.70
        HA     55 THR  HN      2.50
        HB     54 ILE  QD1     3.00
        HB     55 THR  HN      5.00
        QG2    55 THR  HN      5.72
        QG1    55 THR  HN      4.93
        QD1    55 THR  HN      5.70
        QD1    55 THR  HN      5.50
 55 THR 
        QG2    58 GLU- HN      5.50 
        HA     58 GLU- HN      4.50 
        HA     57 GLU- HN      4.00   
        HN     59 PHE  HN      4.54 
        HN     58 GLU- HN      3.58  
        HN     55 THR  HA      3.20
        HN     55 THR  HB      4.00
        HA     56 LEU  HN      3.50
        HB     56 LEU  HN      4.50
        OG1    58 GLU- HN      2.10
 56 LEU 
        QD2    59 PHE  HN      6.30 
        HB3    59 PHE  HN      5.20  
        HN     56 LEU  HA      3.46
        HN     56 LEU  QB      3.86
        HN     56 LEU  HG      4.86
        HN     56 LEU  QD1     6.00
        HN     56 LEU  QD2     6.00
        HN     56 LEU  QQD     5.34
        HN     57 GLU- HN      3.08
        HA     57 GLU- HN      3.58
        HA     59 PHE  QB      4.50
        HB2    57 GLU- HN      4.50
        HB3    57 GLU- HN      4.50
        QB     57 GLU- HN      4.26
        QD1    57 GLU- HN      5.70
        QD2    57 GLU- HN      5.70
        QQD    57 GLU- HN      5.31
        O      60 LEU  N       3.00
        O      60 LEU  HN      2.00
 57 GLU-
        HN     60 LEU  HN      6.00
        QG     59 PHE  HN      4.30
        HB2    59 PHE  HN      4.91
        HG3    58 GLU- HN      5.50 
        HB3    58 GLU- HN      4.00  
        HN     57 GLU- HA      3.50
        HN     57 GLU- HB2     3.50
        HN     57 GLU- HB3     3.50
        HN     57 GLU- HG2     5.50
        HN     57 GLU- HG3     5.50
        HN     57 GLU- QG      5.30
        HN     58 GLU- HN      3.14
        HA     58 GLU- HN      3.54
        HA     60 LEU  HN      4.00
        HA     60 LEU  QB      4.50
        QG     58 GLU- HN      6.18
        O      61 GLU- N       3.00
        O      61 GLU- HN      2.00
 58 GLU-
        HB2    59 PHE  HN      4.91 
        HN     58 GLU- HA      3.50
        HN     58 GLU- HB2     4.00
        HN     58 GLU- HB3     4.00
        HN     58 GLU- QB      3.65
        HN     58 GLU- QG      4.50
        HN     59 PHE  HN      3.00
        HN     60 LEU  HN      5.50
        HA     59 PHE  HN      3.50
        HA     61 GLU- QB      4.50
        QG     59 PHE  HN      4.30
        O      62 PHE  N       3.00
        O      62 PHE  HN      2.00
 59 PHE 
        HN     59 PHE  HA      3.50
        HN     59 PHE  HB2     4.00
        HN     59 PHE  HB3     4.00
        HN     59 PHE  QB      3.55
        HN     60 LEU  HN      3.14
        HA     60 LEU  HN      3.54
        HA     62 PHE  HN      4.45
        HA     62 PHE  QB      4.50
 60 LEU 
        HN     60 LEU  HB2     4.00
        HN     60 LEU  HB3     4.00
        HN     60 LEU  QB      3.65
        HN     60 LEU  HG      4.50
        HN     61 GLU- HN      3.02
        HA     63 SER  QB      4.50
        QB     61 GLU- HN      4.88
        HG     61 GLU- HN      4.32
 61 GLU- 
        HN     61 GLU- HA      3.55
        HN     61 GLU- HB2     4.05
        HN     61 GLU- HB3     4.05
        HN     61 GLU- QG      5.48
        HN     62 PHE  HN      3.00
        HA     62 PHE  HN      3.50
        HA     64 LEU  QB      4.50
        HB2    62 PHE  HN      3.89
        HB3    62 PHE  HN      3.89
        QB     62 PHE  HN      3.59
 62 PHE 
        QB     63 SER  HN      4.70 
        HN     62 PHE  HA      3.32
        HN     62 PHE  QB      3.82
        HN     63 SER  HN      3.30
        HA     63 SER  HN      3.52
 63 SER 
        QB     64 LEU  HN      4.70  
        HN     63 SER  HA      2.80
        HN     63 SER  QB      3.50
        HN     64 LEU  HN      3.76
        HA     64 LEU  HN      3.50
 64 LEU  
        HN     64 LEU  HA      3.50
        HN     64 LEU  HB2     4.00
        HN     64 LEU  HB3     4.00
        HN     64 LEU  HG      5.14
        HN     64 LEU  QD1     6.00
        HN     64 LEU  QD2     6.00
11 TYR
        QD      11      TYR     HA      5.500000# peak 0000
        QD      11      TYR     QB      4.500000# peak 0000
        QD      54      ILE     QG2     5.500000# peak 0000
        QD      22      LEU     QQD     6.000000# peak 0000

 11 TYR
       QE       55      THR     HA      6.000000# peak 0000
       QE       54      ILE     HB      6.500000# peak 0000
       QE       54      ILE     QG2     4.500000# peak 0000
       QE       22      LEU     QQD     5.000000# peak 0000

 53 TYR
       QD       53      TYR     HA      4.500000# peak 0000 
       QD       55      THR     HA      6.000000# peak 0000
       QD       23      THR     HA      4.500000# peak 0000
       QD       21      LYS+    HA      5.500000# peak 0000
       QD       53      TYR     QB      4.500000# peak 0000
       QD       55      THR     QG2     4.500000# peak 0000
       QD       23      THR     QG2     4.500000# peak 0000
 31 PHE
       QD       31      PHE     HA      5.000000# peak 0000
       QD       31      PHE     QB      4.500000# peak 0000 
       QD       36      ILE     HB      6.000000# peak 0000
       QD       36      ILE     QG1     6.500000# peak 0000 
       QD       39      VAL     HB      4.500000# peak 0000 
       QD       39      VAL     QQG     6.700000# peak 0000
       QD       27      VAL     QQG     4.700000# peak 0000 


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