NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type subtype subsubtype
1093 1a5j 4114 cing recoord 1-original 1 DYANA/DIANA distance NOE simple


  1 GLY  
         QA      6 VAL  QG2     7.50                
  2 ILE  
         HN      2 ILE  HB      4.00                
         HN      2 ILE  HG12    5.00                
         HN      2 ILE  HG13    5.00                
         HA      2 ILE  QG2     3.30                
         HA      3 PRO  HD2     4.00                
         HA      3 PRO  HD3     4.00                
         HA      3 PRO  QD      3.34                
         HB      3 PRO  HD2     5.00                
         HB      3 PRO  HD3     5.00                
         QG2     3 PRO  HD2     5.50                
         QG2     3 PRO  HD3     5.50                
         QG2     3 PRO  QD      5.09                
         QD1     7 LYS+ QD      7.50                
         QD1     9 PRO  QB      7.38                
  3 PRO  
         HA      4 ASP- HN      2.80                
         QB      4 ASP- HN      4.00                
  4 ASP- 
         HN      4 ASP- HA      2.80                
         HN      4 ASP- HB2     2.80                
         HN      4 ASP- HB3     2.80                
         HA      4 ASP- HB2     2.80                
         HA      5 LEU  HN      2.80                
         HB2     5 LEU  HN      5.00                
  5 LEU  
         HN      5 LEU  QB      3.80                
         HN      5 LEU  HG      2.80                
         HN      5 LEU  QD1     5.50                
         HN      5 LEU  QD2     6.50                
         HA      5 LEU  HG      2.80                
         HA      5 LEU  QD1     4.80                
         HA      5 LEU  QD2     4.30                
         HA      6 VAL  HN      2.80                
         HA      9 PRO  HA      5.00                
         HA     39 GLY  QA      4.88                
         QB      6 VAL  HN      5.00                
         HG      6 VAL  HN      4.00                
  6 VAL  
         HN      6 VAL  HB      2.80                
         HN      6 VAL  QG1     4.30                
         HN      7 LYS+ HN      4.00                
         HB      7 LYS+ HN      4.00                
         QG1     8 GLY  HN      5.50                
         QG1     9 PRO  QB      6.38                
         QG2     8 GLY  HN      5.50                
         QG2     9 PRO  QB      6.38                
  7 LYS+ 
         HN      7 LYS+ QD      4.30                
         HN      8 GLY  HN      3.30                
         HA      7 LYS+ HB2     2.80                
         HA      7 LYS+ HB3     2.80                
         HA      7 LYS+ QD      4.30                
         HA      8 GLY  HN      2.80                
         HB2     7 LYS+ QE      4.30                
         HB3     7 LYS+ QE      4.30                
         QB      8 GLY  HN      4.18                
  8 GLY  
         HN      8 GLY  HA1     2.80                
         HN      8 GLY  HA2     2.80                
         HN      9 PRO  HD2     5.00                
         HN      9 PRO  HD3     5.00                
         HN      9 PRO  QD      4.44                
         HA1     9 PRO  HD2     4.00                
         HA1     9 PRO  HD3     4.00                
         HA2     9 PRO  HD2     4.00                
         HA2     9 PRO  HD3     4.00                
  9 PRO  
         HA     10 TRP  HN      2.80                
         HA     10 TRP  HA      6.00                
         HA     10 TRP  HD1     2.80                
         HA     11 THR  QG2     5.50                
         HB2    10 TRP  HN      4.00                
         HB3    10 TRP  HN      4.00                
         QB     11 THR  QG2     7.38                
         QG     11 THR  QG2     7.50                
 10 TRP  
         HN     10 TRP  HB2     2.80                
         HN     10 TRP  HB3     3.30                
         HN     10 TRP  HD1     3.30                
         HB2    10 TRP  HE3     3.30                
         HB3    10 TRP  HE3     3.30                
         HB3    10 TRP  HZ3     5.00                
         HE3    14 GLU- HB2     3.30                
         HE3    14 GLU- HB3     3.30                
         HE3    14 GLU- HG2     4.00                
         HE3    14 GLU- HG3     4.00                
         HE3    15 ASP- HA      5.00                
         HE3    18 VAL  QG2     6.50                
         HE3    37 LEU  QD2     5.50                
         HZ3    14 GLU- QG      4.88                
         HZ3    15 ASP- HA      5.30                
         HZ3    18 VAL  QG2     5.80                
         HZ3    37 LEU  QD2     5.50                
 11 THR  
         HA     11 THR  HB      2.80                
         HA     12 LYS+ HN      2.80                
         HA     13 GLU- HN      5.00                
         HB     12 LYS+ HN      2.80                
         HB     13 GLU- HN      4.00                
         QG2    12 LYS+ HN      5.50                
 12 LYS+ 
         HN     12 LYS+ HA      2.80                
         HN     12 LYS+ HB2     2.80                
         HN     12 LYS+ HB3     2.80                
         HN     12 LYS+ QG      4.88                
         HN     13 GLU- HN      3.30                
         HA     12 LYS+ HG2     4.00                
         HA     12 LYS+ HG3     4.00                
         HA     12 LYS+ QD      6.00                
         HA     12 LYS+ QE      6.00                
         HA     15 ASP- HN      4.00                
         HA     15 ASP- HB2     4.00                
         HA     15 ASP- HB3     4.00                
         HB3    13 GLU- HN      3.30                
         QG     13 GLU- HN      4.88                
         O      16 GLN  N       3.30                
         O      16 GLN  HN      2.30                
 13 GLU- 
         HN     13 GLU- HA      2.80                
         HN     13 GLU- HB2     2.80                
         HN     13 GLU- HB3     2.80                
         HN     13 GLU- HG2     4.00                
         HN     13 GLU- HG3     4.00                
         HN     14 GLU- HN      3.30                
         HA     13 GLU- HG2     4.00                
         HA     13 GLU- HG3     4.00                
         HA     16 GLN  HB2     4.00                
         HA     16 GLN  HB3     4.00                
         HA     16 GLN  HG2     5.00                
         HA     16 GLN  HG3     5.00                
         O      17 LYS+ N       3.30                
         O      17 LYS+ HN      2.30                
 14 GLU- 
         HN     14 GLU- HB2     4.00                
         HN     14 GLU- HB3     4.00                
         HN     14 GLU- HG2     4.00                
         HN     14 GLU- HG3     4.00                
         HN     14 GLU- QG      3.56                
         HN     15 ASP- HN      3.30                
         HA     14 GLU- HG2     4.00                
         HA     14 GLU- HG3     4.00                
         HA     17 LYS+ HB2     5.00                
         HA     17 LYS+ HB3     5.00                
         HA     17 LYS+ QB      4.44                
         HB2    15 ASP- HN      5.00                
         HB3    15 ASP- HN      5.00                
         QB     15 ASP- HN      4.44                
         QG     15 ASP- HN      5.88                
         O      18 VAL  N       3.30                
         O      18 VAL  HN      2.30                
 15 ASP- 
         HN     15 ASP- HB2     4.00                
         HN     16 GLN  HN      3.30                
         HA     18 VAL  HB      5.00                
         HA     18 VAL  QG2     6.50                
         HA     32 LEU  QQD     9.07                
         HB2    16 GLN  HN      3.30                
         O      19 ILE  N       3.30                
         O      19 ILE  HN      2.30                
 16 GLN  
         HN     16 GLN  HA      2.80                
         HN     16 GLN  HB3     2.80                
         HN     16 GLN  HG2     3.30                
         HN     16 GLN  HG3     3.30                
         HN     16 GLN  QG      2.93                
         HN     17 LYS+ HN      2.80                
         HN     19 ILE  QD1     6.50                
         HA     16 GLN  HG2     4.00                
         HA     16 GLN  HG3     4.00                
         HA     16 GLN  QE2     5.87                
         HA     19 ILE  HN      6.00                
         HA     19 ILE  HB      3.30                
         HA     19 ILE  QG2     5.50                
         HA     19 ILE  QD1     4.80                
         HB3    17 LYS+ HN      5.00                
         O      20 GLU- N       3.30                
         O      20 GLU- HN      2.30                
 17 LYS+ 
         HN     17 LYS+ HB2     4.00                
         HN     17 LYS+ HB3     4.00                
         HN     17 LYS+ QG      5.88                
         HN     17 LYS+ QD      5.00                
         HN     18 VAL  HN      3.30                
         HN     18 VAL  HB      6.00                
         HN     19 ILE  QD1     7.50                
         HA     17 LYS+ QD      5.00                
         HA     18 VAL  QG1     7.50                
         HA     20 GLU- HN      4.00                
         HA     20 GLU- QB      5.88                
         HA     20 GLU- QG      5.88                
         HA     37 LEU  QD2     7.50                
         HB2    21 LEU  QD1     9.64                
         HB2    21 LEU  QD2     9.64                
         HB2    37 LEU  QD1     6.50                
         HB2    37 LEU  QD2     6.50                
         HB3    21 LEU  QD1     9.64                
         HB3    21 LEU  QD2     9.64                
         HB3    37 LEU  QD1     6.50                
         HB3    37 LEU  QD2     6.50                
         QB     17 LYS+ QE      7.88                
         QB     18 VAL  HN      4.88                
         QB     21 LEU  QQD     8.02                
         QB     37 LEU  QD1     5.96                
         HG2    21 LEU  QD1     9.64                
         HG2    21 LEU  QD2     9.64                
         HG3    21 LEU  QD1     9.64                
         HG3    21 LEU  QD2     9.64                
         QG     21 LEU  QQD     7.54                
         QG     36 HIS  HE1     6.38                
         QG     37 LEU  QD2     7.38                
         QD     21 LEU  QQD     8.07                
         QD     36 HIS  HE1     6.50                
         QD     37 LEU  QD1     7.50                
         QD     37 LEU  QD2     6.50                
         QE     37 LEU  QD2     7.50                
         O      21 LEU  N       3.30                
         O      21 LEU  HN      2.30                
 18 VAL  
         HN     18 VAL  HB      3.30                
         HN     18 VAL  QG2     4.80                
         HN     19 ILE  HN      4.00                
         HA     21 LEU  HB2     4.00                
         HA     21 LEU  HG      5.00                
         HA     21 LEU  QQD     7.07                
         HA     33 ILE  QG2     5.50                
         HB     19 ILE  QD1     5.50                
         QG1    19 ILE  HA      6.50                
         QG1    19 ILE  QD1     6.30                
         QG1    22 VAL  QG2     6.30                
         QG1    32 LEU  QB      7.50                
         QG1    33 ILE  QD1     9.00                
         QG2    19 ILE  QD1     7.00                
         QG2    36 HIS  HD2     6.00                
         O      22 VAL  N       3.30                
         O      22 VAL  HN      2.30                
 19 ILE  
         HN     19 ILE  QG1     4.88                
         HN     19 ILE  QD1     5.50                
         HA     19 ILE  HG12    4.00                
         HA     19 ILE  HG13    4.00                
         HA     22 VAL  HB      5.00                
         HA     22 VAL  QG2     7.50                
         HA     49 TRP  HZ3     2.80                
         HA     49 TRP  HZ2     3.30                
         HA     49 TRP  HH2     2.80                
         HB     20 GLU- HN      3.30                
         QG2    20 GLU- HA      5.50                
         QG2    23 LYS+ QG      6.38                
         QG2    23 LYS+ QD      7.50                
         QD1    32 LEU  QQD     7.87                
         O      23 LYS+ N       3.30                
         O      23 LYS+ HN      2.30                
 20 GLU- 
         HN     20 GLU- HG2     5.00                
         HN     20 GLU- HG3     5.00                
         HN     20 GLU- QG      4.44                
         HN     21 LEU  HN      4.00                
         HN     21 LEU  HG      5.00                
         HA     20 GLU- HG2     4.00                
         HA     20 GLU- HG3     4.00                
         HA     23 LYS+ HN      4.00                
         O      24 LYS+ N       3.30                
         O      24 LYS+ HN      2.30                
 21 LEU  
         HN     21 LEU  HB2     3.30                
         HN     21 LEU  HB3     4.00                
         HN     21 LEU  HG      3.30                
         HN     21 LEU  QD1     6.50                
         HN     21 LEU  QD2     6.50                
         HN     21 LEU  QQD     5.81                
         HA     21 LEU  HG      4.00                
         HA     21 LEU  QD1     5.50                
         HA     21 LEU  QD2     5.50                
         HA     24 LYS+ HN      4.00                
         HA     24 LYS+ HB2     4.00                
         HA     24 LYS+ HB3     4.00                
         HA     25 TYR  HD1     4.00                
         HA     25 TYR  HE1     4.00                
         HB3    33 ILE  QD1     5.50                
         QD1    36 HIS  HD2     6.00                
         QD1    36 HIS  HE1     8.00                
         QD2    36 HIS  HD2     6.00                
         QD2    36 HIS  HE1     8.00                
         QQD    25 TYR  HD1     5.87                
         QQD    25 TYR  HE1     5.87                
         QQD    36 HIS  HA      8.07                
         QQD    36 HIS  HD2     5.44                
         QQD    36 HIS  HE1     6.89                
         O      25 TYR  N       3.30                
         O      25 TYR  HN      2.30                
 22 VAL  
         HN     22 VAL  HB      4.00                
         HN     23 LYS+ HN      3.30                
         HA     25 TYR  HN      5.00                
         HA     26 GLY  HN      3.30                
         HA     33 ILE  QD1     5.50                
         QG1    23 LYS+ HN      7.50                
         QG1    26 GLY  QA      7.38                
         QG1    27 THR  QG2     7.00                
         QG1    33 ILE  QD1     8.00                
         QG1    49 TRP  HZ3     6.50                
         QG1    49 TRP  HZ2     5.50                
         QG2    23 LYS+ HN      7.50                
         QG2    26 GLY  HN      6.50                
         QG2    30 TRP  HZ3     7.50                
         QG2    30 TRP  HH2    10.00                
         QG2    33 ILE  QG2     6.30                
         QG2    33 ILE  QD1     5.80                
         QG2    49 TRP  HZ3     7.50                
         QG2    49 TRP  HZ2     6.50                
 23 LYS+ 
         HN     23 LYS+ HA      2.80                
         HN     23 LYS+ QB      3.80                
         HN     23 LYS+ HG2     4.00                
         HN     23 LYS+ HG3     4.00                
         HN     23 LYS+ QG      3.56                
         HN     24 LYS+ HN      2.80                
         QB     24 LYS+ HN      4.30                
 24 LYS+ 
         HN     24 LYS+ HA      2.80                
         HN     24 LYS+ HB2     2.80                
         HN     24 LYS+ HG2     6.00                
         HN     24 LYS+ HG3     6.00                
         HN     24 LYS+ QG      5.45                
         HN     25 TYR  HN      2.80                
         HA     24 LYS+ HG2     4.00                
         HA     24 LYS+ HG3     4.00                
         HA     24 LYS+ QG      3.56                
         HA     24 LYS+ HD2     5.00                
         HA     24 LYS+ HD3     5.00                
         HA     24 LYS+ QD      4.44                
         HA     26 GLY  HN      5.00                
         HB2    25 TYR  HN      4.00                
         HB3    24 LYS+ HD2     4.00                
         HB3    24 LYS+ HD3     4.00                
         HB3    25 TYR  HN      4.00                
         QG     25 TYR  HN      6.88                
         QD     25 TYR  HE1     4.88                
         HE2    25 TYR  HE1     4.00                
         HE3    25 TYR  HE1     4.00                
 25 TYR  
         HN     25 TYR  HB2     3.30                
         HN     25 TYR  HB3     4.00                
         HN     26 GLY  HN      2.80                
         HA     25 TYR  CZ      4.80                
         HA     29 GLN  HE21    5.00                
         HA     29 GLN  HE22    5.00                
         HB2    26 GLY  HN      5.00                
         HB2    29 GLN  QE2     5.87                
         HB3    26 GLY  HN      6.00                
         HB3    29 GLN  HE21    5.00                
         HB3    29 GLN  HE22    5.00                
         HB3    29 GLN  QE2     4.44                
         CG     32 LEU  QQD     7.87                
         CZ     32 LEU  QQD     7.87                
         HE2    33 ILE  QD1     6.50                
         HD2    33 ILE  QD1     5.50                
 26 GLY  
         HN     26 GLY  HA1     2.80                
         HN     26 GLY  HA2     2.80                
         HN     27 THR  HN      5.00                
         HA1    27 THR  HN      3.30                
         HA2    27 THR  HN      3.30                
         QA     28 LYS+ HN      4.88                
 27 THR  
         HN     28 LYS+ HN      3.30                
         QG2    32 LEU  QQD     8.57                
 28 LYS+ 
         HN     28 LYS+ HB2     4.00                
         HN     28 LYS+ HB3     4.00                
         HN     28 LYS+ QB      3.56                
         HN     28 LYS+ QG      5.00                
         HN     29 GLN  HN      2.80                
         HA     28 LYS+ HD2     5.00                
         HA     28 LYS+ HD3     5.00                
         HA     28 LYS+ QE      6.00                
         HA     30 TRP  HD1     3.80                
         HA     30 TRP  HE1     5.00                
         QB     28 LYS+ QD      3.61                
         QB     28 LYS+ QE      5.88                
         QB     29 GLN  HN      5.88                
 29 GLN  
         HN     29 GLN  HB2     4.00                
         HN     29 GLN  HB3     4.00                
         HN     29 GLN  HG2     5.00                
         HN     29 GLN  HG3     5.00                
         HN     29 GLN  QG      4.44                
         HN     30 TRP  HN      4.00                
         HA     29 GLN  HG2     4.00                
         HA     29 GLN  HG3     4.00                
         HA     29 GLN  QG      3.56                
         HA     31 THR  HN      5.00                
         HA     32 LEU  QQD     9.07                
         HB2    32 LEU  QB      6.00                
         HG2    32 LEU  QD1     9.25                
         HG2    32 LEU  QD2     9.25                
         HG3    32 LEU  QD1     9.25                
         HG3    32 LEU  QD2     9.25                
         QG     32 LEU  QQD     8.23                
 30 TRP  
         HN     30 TRP  HB2     4.00                
         HN     30 TRP  HB3     4.00                
         HN     30 TRP  HD1     4.00                
         HA     30 TRP  HD1     4.00                
         HA     30 TRP  HE3     4.00                
         HA     33 ILE  HB      4.00                
         HA     33 ILE  QG2     5.50                
         HA     33 ILE  QD1     6.50                
         HB2    30 TRP  HE1     5.00                
         HB2    31 THR  HN      4.00                
         HB3    31 THR  HN      4.00                
         HD1    46 ARG+ QG      5.38                
         HD1    46 ARG+ QD      6.50                
         HE3    33 ILE  HB      3.30                
         HE3    33 ILE  QG2     5.50                
         HZ3    33 ILE  QG2     4.30                
         HZ3    33 ILE  QD1     8.50                
         HZ3    45 CYS  QB      8.00                
         HH2    33 ILE  QD1     8.50                
         HH2    45 CYS  QB      8.00                
         HH2    50 HIS  HD2     5.50                
 31 THR  
         HN     31 THR  HA      2.80                
         HN     31 THR  HB      2.80                
         HN     31 THR  QG2     4.80                
         HN     32 LEU  HN      2.80                
         HN     32 LEU  QB      7.00                
         HA     31 THR  HB      2.80                
         HA     34 ALA  QB      4.30                
         HB     32 LEU  HN      3.30                
         QG2    32 LEU  HN      5.50                
         QG2    32 LEU  HA      4.30                
         QG2    34 ALA  QB      7.00                
         QG2    35 LYS+ QG      5.68                
         QG2    35 LYS+ QE      6.50                
         O      35 LYS+ N       3.30                
         O      35 LYS+ HN      2.30                
 32 LEU  
         HN     32 LEU  HA      2.80                
         HN     32 LEU  QB      3.80                
         HN     32 LEU  HG      4.00                
         HN     32 LEU  QQD     9.07                
         HN     33 ILE  HN      3.30                
         HN     33 ILE  QG1     5.88                
         HA     32 LEU  HG      4.00                
         HA     35 LYS+ HB2     5.00                
         HA     35 LYS+ HB3     5.00                
         HA     35 LYS+ QB      4.44                
         HA     35 LYS+ QG      4.88                
         HA     35 LYS+ QD      5.00                
         HA     35 LYS+ QE      5.00                
         QB     33 ILE  HN      4.30                
         QB     33 ILE  QG2     7.50                
         QD1    36 HIS  HD2     7.00                
         QD1    36 HIS  HE1     6.00                
         QD2    36 HIS  HD2     7.00                
         QD2    36 HIS  HE1     6.00                
         QQD    36 HIS  HD2     6.33                
         QQD    36 HIS  HE1     5.20                
 33 ILE  
         HN     33 ILE  HB      2.80                
         HN     33 ILE  HG12    4.00                
         HN     33 ILE  HG13    4.00                
         HN     33 ILE  QD1     6.50                
         HN     34 ALA  HN      3.30                
         HA     33 ILE  HG12    4.00                
         HA     33 ILE  HG13    4.00                
         HA     33 ILE  QG1     3.56                
         HA     36 HIS  HD2     4.50                
         HB     34 ALA  HN      2.80                
         QG2    34 ALA  HN      5.50                
         QG2    34 ALA  HA      4.30                
         QG2    34 ALA  QB      6.50                
         QG2    45 CYS  HB2     6.50                
         QG2    45 CYS  HB3     6.50                
         QG2    45 CYS  QB      5.96                
         QG1    34 ALA  HN      4.88                
 34 ALA  
         HN     34 ALA  HA      2.80                
         HN     35 LYS+ HN      2.80                
         HA     37 LEU  QB      5.00                
         HA     37 LEU  HG      5.00                
         QB     35 LYS+ HA      5.00                
         QB     41 LEU  HA      4.80                
         QB     42 GLY  HA1     4.30                
         QB     42 GLY  HA2     4.30                
 35 LYS+ 
         HN     35 LYS+ HA      2.80                
         HN     35 LYS+ HB2     2.80                
         HN     35 LYS+ HB3     2.80                
         HN     35 LYS+ QG      4.88                
         HN     36 HIS  HN      2.80                
         HA     35 LYS+ QD      5.00                
         HA     35 LYS+ QE      6.00                
         HA     36 HIS  HD2     5.50                
         HB2    36 HIS  HN      4.00                
         HB3    36 HIS  HN      4.00                
         QB     36 HIS  HD2     5.38                
 36 HIS  
         HN     36 HIS  HB2     3.30                
         HN     36 HIS  HB3     4.00                
         HN     36 HIS  HD2     4.50                
         HA     36 HIS  HD2     3.80                
         HA     36 HIS  HE1     5.50                
         HB2    37 LEU  HN      6.00                
         HB3    37 LEU  HN      6.00                
 37 LEU  
         HN     37 LEU  QB      3.80                
         HN     37 LEU  HG      4.00                
         HN     37 LEU  QD2     5.50                
         HN     38 LYS+ HN      4.00                
         HA     37 LEU  HG      3.30                
         HA     37 LEU  QD1     4.80                
         HA     37 LEU  QD2     4.30                
         HA     38 LYS+ HN      2.80                
         QD2    38 LYS+ HN      5.50                
 38 LYS+ 
         HN     38 LYS+ HA      2.80                
         HN     38 LYS+ QB      3.46                
         HN     38 LYS+ HG2     5.00                
         HN     38 LYS+ HG3     5.00                
         HN     38 LYS+ QG      4.44                
         HN     38 LYS+ QD      3.80                
         HN     39 GLY  HN      5.00                
         HA     38 LYS+ QD      5.00                
         HA     39 GLY  HN      2.80                
         HA     40 ARG+ HN      4.00                
         QB     39 GLY  HN      4.88                
         HG2    39 GLY  HN      6.00                
         HG3    39 GLY  HN      6.00                
         QG     39 GLY  HN      5.45                
         QD     39 GLY  HN      5.00                
 39 GLY  
         HN     39 GLY  HA1     2.80                
         HN     39 GLY  HA2     2.80                
         HN     40 ARG+ HN      4.00                
 40 ARG+ 
         HN     40 ARG+ HB2     4.00                
         HN     40 ARG+ HB3     4.00                
         HN     40 ARG+ HG2     5.00                
         HN     40 ARG+ HG3     5.00                
         HN     40 ARG+ QG      4.44                
         HA     40 ARG+ HD2     4.00                
         HA     40 ARG+ HD3     4.00                
         QB     40 ARG+ HE      6.88                
 41 LEU  
         HN     41 LEU  HB2     2.80                
         HN     41 LEU  HB3     4.00                
         HN     41 LEU  HG      4.00                
         HA     41 LEU  HG      4.00                
         HA     41 LEU  QD1     2.80                
         HA     41 LEU  QD2     2.80                
         HB3    42 GLY  HN      4.00                
         HB3    44 GLN  HN      5.00                
 43 LYS+ 
         HN     43 LYS+ HB2     3.30                
         HN     43 LYS+ HB3     3.30                
         HN     43 LYS+ QG      5.00                
         HN     43 LYS+ QD      5.00                
         HN     44 GLN  HN      5.00                
         HA     43 LYS+ QE      5.00                
         HB2    43 LYS+ QE      7.00                
         HB3    43 LYS+ QE      7.00                
         QB     43 LYS+ QE      6.46                
         QG     44 GLN  HN      6.00                
 44 GLN  
         HN     45 CYS  HN      4.00                
         HA     47 GLU- QB      5.00                
 45 CYS  
         HB2    46 ARG+ HN      5.00                
         HB3    46 ARG+ HN      5.00                
 46 ARG+ 
         HN     46 ARG+ HG2     4.00                
         HN     46 ARG+ HG3     4.00                
         HN     47 GLU- HN      4.00                
         HA     46 ARG+ HG2     4.00                
         HA     46 ARG+ HG3     4.00                
         HA     46 ARG+ QG      3.56                
         QB     49 TRP  HN      6.00                
         QB     50 HIS  HD2     5.50                
         HG2    50 HIS  HD2     5.50                
         HG3    50 HIS  HD2     5.50                
         QG     47 GLU- HN      4.88                
         QG     50 HIS  HD2     4.95                
 47 GLU- 
         HN     47 GLU- QB      3.80                
         HN     47 GLU- HG2     5.00                
         HN     47 GLU- HG3     5.00                
         HN     47 GLU- QG      4.44                
         HN     48 ARG+ HN      4.00                
         HA     47 GLU- HG2     4.00                
         HA     47 GLU- HG3     4.00                
         QB     51 ASN  HD21    5.00                
         QB     51 ASN  HD22    5.00                
         HG2    51 ASN  HD21    5.73                
         HG2    51 ASN  HD22    5.73                
         HG3    51 ASN  HD21    5.73                
         HG3    51 ASN  HD22    5.73                
         QG     51 ASN  QD2     4.58                
 48 ARG+ 
         HN     48 ARG+ QG      5.88                
         HN     49 TRP  HN      3.30                
         HN     49 TRP  HA      6.00                
         HA     48 ARG+ QD      4.88                
         HA     52 HIS  HD2     3.30                
         QD     52 HIS  HE1     6.38                
 49 TRP  
         HN     49 TRP  HB2     4.00                
         HN     49 TRP  HB3     4.00                
         HN     49 TRP  QB      3.56                
         HN     50 HIS  HN      3.30                
         HA     53 LEU  HN      5.00                
         QB     50 HIS  HN      4.00                
 50 HIS  
         HN     50 HIS  HB2     3.30                
         HN     50 HIS  HB3     3.30                
         HN     50 HIS  QB      2.93                
         HN     51 ASN  HN      4.00                
         HA     50 HIS  HD2     4.50                
         HA     50 HIS  HE1     5.50                
         HA     51 ASN  HD21    5.00                
         HA     51 ASN  HD22    5.00                
         HB2    51 ASN  HN      6.00                
         HB3    51 ASN  HN      6.00                
 51 ASN  
         HN     51 ASN  HB2     3.30                
         HN     51 ASN  HB3     3.30                
         HN     51 ASN  QB      2.93                
         HN     52 HIS  HN      4.00                
         HB2    51 ASN  HD21    4.00                
         HB2    51 ASN  HD22    4.00                
         HB3    51 ASN  HD21    4.00                
         HB3    51 ASN  HD22    4.00                
 52 HIS  
         HN     53 LEU  HN      3.30                
         HA     52 HIS  HD2     4.50                
         HA     52 HIS  HE1     5.50                
         QB     53 LEU  HN      4.88                
         HD2    54 ASN  QB      7.38                
 55 PRO  
         HA     56 GLU- HN      3.30                
         QD     56 GLU- HN      4.88                
 56 GLU- 
         HN     56 GLU- HB2     3.30                
         HN     56 GLU- HB3     3.30                
         HN     56 GLU- HG2     5.00                
         HN     56 GLU- HG3     5.00                
         HN     56 GLU- QG      4.44                
         HA     56 GLU- HG2     4.00                
         HA     56 GLU- HG3     4.00                
         HA     56 GLU- QG      3.56                
         HA     57 VAL  HN      2.80                
 57 VAL  
         HN     57 VAL  HB      2.80                
         HN     57 VAL  QG1     4.30                
         HN     57 VAL  QG2     4.30                
         HN     58 LYS+ HN      3.30                
         HA     57 VAL  HB      2.80                
         HA     58 LYS+ HN      3.30                
         HB     58 LYS+ HN      4.00                
         QG1    58 LYS+ HA      7.50                
         QG1    67 ASP- HA      6.50                
         QG2    58 LYS+ HA      7.50                
         QG2    67 ASP- HA      6.50                
 58 LYS+ 
         HN     58 LYS+ QG      5.88                
         HA     58 LYS+ HG2     4.00                
         HA     58 LYS+ HG3     4.00                
         HA     58 LYS+ QG      3.56                
         HA     58 LYS+ QD      5.00                
         HA     59 LYS+ HN      2.80                
 59 LYS+ 
         HN     59 LYS+ HA      2.80                
         HN     59 LYS+ HB2     4.00                
         HN     59 LYS+ HB3     4.00                
         HN     59 LYS+ QB      3.34                
         HN     59 LYS+ QG      5.00                
         HN     59 LYS+ QD      4.30                
         HA     59 LYS+ HB2     2.80                
         HA     59 LYS+ HB3     2.80                
         HA     59 LYS+ QD      4.30                
         QB     60 SER  HN      4.78                
 60 SER  
         HN     60 SER  HB2     4.00                
         HN     60 SER  HB3     4.00                
         HA     60 SER  HB2     2.80                
         HA     60 SER  HB3     2.80                
 61 SER  
         HN     61 SER  HA      2.80                
         HA     62 TRP  HN      2.80                
         QB     62 TRP  HN      4.30                
         QB     62 TRP  HE1     6.00                
 62 TRP  
         HN     62 TRP  HB2     2.80                
         HN     62 TRP  HB3     3.30                
         HN     62 TRP  HE1     5.00                
         HA     62 TRP  HD1     4.00                
         HA     62 TRP  HE3     2.80                
         HA     62 TRP  HZ3     5.00                
         HA     63 THR  HN      2.80                
         HB2    62 TRP  HE1     5.00                
         HB2    63 THR  HN      3.30                
         HB3    62 TRP  HE3     4.00                
         HB3    63 THR  HN      5.00                
         HD1    99 HIS  HD2     6.00                
         HD1    99 HIS  HE1     3.30                
         HE3    63 THR  HN      5.00                
         HE3    66 GLU- HA      5.00                
         HE3    66 GLU- HB3     4.00                
         HZ3    70 ILE  QD1     4.80                
         HZ3    85 ALA  HA      5.00                
         HZ3    91 ARG+ HA      6.00                
         HZ3    95 ALA  QB      5.50                
         HZ3    96 VAL  HA      4.00                
         HZ3    96 VAL  QG2     4.80                
         HZ3    99 HIS  HD2     5.50                
         HZ2    70 ILE  QD1     5.50                
         HZ2    91 ARG+ QD      4.88                
         HZ2    95 ALA  HA      4.00                
         HZ2    95 ALA  QB      3.80                
         HZ2    96 VAL  HA      2.80                
         HZ2    96 VAL  QG2     5.50                
         HH2    70 ILE  QD1     4.30                
         HH2    85 ALA  HA      5.00                
         HH2    85 ALA  QB      5.50                
         HH2    91 ARG+ HA      5.00                
         HH2    91 ARG+ HB2     4.00                
         HH2    91 ARG+ HB3     4.00                
         HH2    91 ARG+ QD      4.88                
         HH2    95 ALA  HA      5.00                
         HH2    95 ALA  QB      3.30                
         HH2    96 VAL  HA      2.80                
         HH2    96 VAL  QG1     7.50                
         HH2    96 VAL  QG2     4.30                
         HH2    99 HIS  HD2     5.50                
 63 THR  
         HN     63 THR  QG2     4.80                
         HA     63 THR  HB      2.80                
         HA     64 GLU- HN      2.80                
         HB     64 GLU- HN      2.80                
         QG2    64 GLU- HN      4.30                
 64 GLU- 
         HN     64 GLU- HA      2.80                
         HN     64 GLU- QB      3.80                
         HN     64 GLU- HG2     4.00                
         HN     64 GLU- HG3     4.00                
         HN     64 GLU- QG      3.56                
         HN     65 GLU- HN      2.80                
         HA     64 GLU- HG2     4.00                
         HA     64 GLU- HG3     4.00                
         HA     67 ASP- HN      3.30                
         HA     67 ASP- HB2     4.00                
         HA     67 ASP- HB3     4.00                
         QB     65 GLU- HA      5.00                
         QB     65 GLU- QB      4.80                
         QB     65 GLU- HG2     3.80                
         QB     65 GLU- HG3     3.80                
         O      68 ARG+ N       3.30                
         O      68 ARG+ HN      2.30                
 65 GLU- 
         HN     65 GLU- HA      2.80                
         HN     65 GLU- QB      3.80                
         HN     66 GLU- HN      3.30                
         HA     65 GLU- HG2     4.00                
         HA     65 GLU- HG3     4.00                
         HA     68 ARG+ QB      4.88                
         QG     69 ILE  QD1     6.38                
         O      69 ILE  N       3.30                
         O      69 ILE  HN      2.30                
 66 GLU- 
         HN     66 GLU- HB2     2.80                
         HN     66 GLU- HB3     4.00                
         HN     66 GLU- HG2     3.30                
         HN     66 GLU- HG3     3.30                
         HN     66 GLU- QG      2.93                
         HA     69 ILE  HB      5.00                
         HA     69 ILE  QG2     5.50                
         HA     69 ILE  QD1     5.50                
         O      70 ILE  N       3.30                
         O      70 ILE  HN      2.30                
 67 ASP- 
         HN     67 ASP- HA      2.80                
         HN     67 ASP- HB2     2.80                
         HN     67 ASP- HB3     2.80                
         HN     68 ARG+ HN      2.80                
         HA     70 ILE  HN      5.00                
         HA     70 ILE  HB      4.00                
         HA     70 ILE  QG2     5.50                
         HA     70 ILE  QD1     5.50                
         HA     99 HIS  HD2     4.50                
         HA    104 ILE  QD1     5.50                
         HB2    68 ARG+ HN      3.30                
         HB2   104 ILE  QD1     7.50                
         HB3    68 ARG+ HN      3.30                
         HB3   104 ILE  QD1     7.50                
         QB     68 ARG+ QG      7.75                
         QB    104 ILE  QD1     6.96                
         O      71 PHE  N       3.30                
         O      71 PHE  HN      2.30                
 68 ARG+ 
         HN     68 ARG+ HA      2.80                
         HN     68 ARG+ QB      3.46                
         HN     68 ARG+ HG2     3.30                
         HN     68 ARG+ HG3     3.30                
         HA     68 ARG+ HG2     4.00                
         HA     68 ARG+ HG3     4.00                
         HA     68 ARG+ HD2     6.00                
         HA     68 ARG+ HD3     6.00                
         HA     68 ARG+ HE      4.00                
         HA     71 PHE  HB2     4.00                
         HA     71 PHE  HB3     4.00                
         HB2    68 ARG+ HE      4.00                
         HB3    68 ARG+ HE      4.00                
         QB     68 ARG+ HE      3.56                
         HG2    68 ARG+ HE      4.00                
         HG3    68 ARG+ HE      4.00                
         HD2    68 ARG+ HE      2.80                
         HD3    68 ARG+ HE      2.80                
         O      72 GLU- N       3.30                
         O      72 GLU- HN      2.30                
 69 ILE  
         HN     69 ILE  HB      2.80                
         HN     69 ILE  HG12    3.30                
         HN     69 ILE  HG13    3.30                
         HN     70 ILE  HN      4.00                
         HA     69 ILE  HG12    4.00                
         HA     69 ILE  HG13    4.00                
         HA     69 ILE  QD1     4.80                
         HA     72 GLU- QB      5.00                
         HB     70 ILE  QD1     5.50                
         HB     88 LEU  QQD     7.07                
         QG2    70 ILE  HA      4.50                
         QG2    70 ILE  QG1     5.38                
         QG2    70 ILE  QD1     6.30                
         QG2    73 ALA  QB      5.80                
         QG2    87 LEU  HB2     5.50                
         QG2    87 LEU  HB3     5.50                
         QG2    87 LEU  QB      5.09                
         QG1    70 ILE  HN      5.88                
         QD1    70 ILE  QG1     6.38                
         O      73 ALA  N       3.30                
         O      73 ALA  HN      2.30                
 70 ILE  
         HN     70 ILE  HB      2.80                
         HN     70 ILE  QG2     4.80                
         HN     70 ILE  HG12    2.80                
         HN     70 ILE  HG13    2.80                
         HN     70 ILE  QD1     4.30                
         HA     70 ILE  QG1     3.71                
         HA     70 ILE  QD1     4.80                
         HA     73 ALA  QB      4.30                
         HA     74 HIS  HN      4.00                
         HB     71 PHE  HN      2.80                
         HB    104 ILE  QD1     5.50                
         QG2    71 PHE  HA      6.50                
         QG2    71 PHE  CG      7.50                
         QG2    73 ALA  QB      6.50                
         QG2    74 HIS  HN      6.50                
         QG2    74 HIS  HB3     6.50                
         QG2    81 TRP  HZ3     4.80                
         QG2    84 ILE  QD1     7.00                
         QG2    96 VAL  QG1     6.30                
         QG2    96 VAL  QG2     7.00                
         QG2    99 HIS  HD2     7.00                
         QG2   100 TRP  HE3     4.80                
         QG2   100 TRP  HZ3     6.50                
         QG2   104 ILE  QG2     7.00                
         QG2   104 ILE  QD1     6.30                
         QG1    71 PHE  HN      5.88                
         QG1    72 GLU- HN      6.88                
         QG1    73 ALA  QB      6.88                
         QG1    84 ILE  QG2     7.38                
         QG1    99 HIS  HD2     5.38                
         QD1    71 PHE  HN      5.50                
         QD1    73 ALA  QB      7.00                
         QD1    95 ALA  QB      7.00                
         QD1    96 VAL  HA      6.50                
         QD1    96 VAL  QG1     5.80                
         QD1    96 VAL  QG2     5.80                
         QD1    99 HIS  HD2     4.80                
         QD1   104 ILE  QG2     8.00                
         QD1   104 ILE  QD1     6.30                
 71 PHE  
         HN     71 PHE  HA      2.80                
         HN     71 PHE  HB2     2.80                
         HN     71 PHE  HB3     2.80                
         HN     72 GLU- HN      2.80                
         HA    100 TRP  HZ3     3.30                
         HA    104 ILE  QG2     6.50                
         HB2   100 TRP  HZ3     5.00                
         HB2   104 ILE  QG2     5.50                
         HB3   100 TRP  HZ3     5.00                
         HB3   104 ILE  QG2     5.50                
         QB     72 GLU- HN      3.68                
         QB    100 TRP  HZ3     4.44                
         CG    100 TRP  HZ3     5.30                
         HE2    72 GLU- QB      5.50                
 72 GLU- 
         HN     72 GLU- HA      2.80                
         HN     72 GLU- QB      3.80                
         HN     72 GLU- QG      3.80                
         HN     73 ALA  HN      2.80                
         HN     74 HIS  HN      5.00                
         HA     75 LYS+ QE      4.88                
 73 ALA  
         HN     73 ALA  HA      2.80                
         HN     74 HIS  HN      3.30                
         HA     76 VAL  HB      4.00                
         HA     76 VAL  QG1     4.80                
         HA     76 VAL  QG2     5.50                
         QB     74 HIS  HN      3.80                
         QB     74 HIS  HA      6.00                
         QB     76 VAL  QG1     7.50                
         QB     76 VAL  QG2     6.50                
         QB     77 LEU  QQD     8.37                
         QB     84 ILE  HA      5.00                
         QB     84 ILE  HB      6.50                
         QB     84 ILE  QG2     5.30                
         QB     84 ILE  HG12    5.50                
         QB     84 ILE  HG13    5.50                
         QB     84 ILE  QG1     4.73                
         QB     84 ILE  QD1     5.30                
         QB     87 LEU  HB2     6.50                
         QB     87 LEU  HB3     6.50                
 74 HIS  
         HN     74 HIS  HA      2.80                
         HN     74 HIS  HB2     2.80                
         HN     74 HIS  HB3     2.80                
         HN     75 LYS+ HN      2.80                
         HA     74 HIS  HD2     3.30                
         HA     74 HIS  HE1     6.50                
         HA     77 LEU  HN      5.00                
         HA     78 GLY  HN      2.80                
         HA     81 TRP  HZ3     5.00                
         HA     84 ILE  QD1     4.80                
         HB2    75 LYS+ HN      4.00                
         HB2    84 ILE  QD1     7.50                
         HB3    84 ILE  QD1     5.50                
         HD2    77 LEU  QQD     7.57                
         HD2    78 GLY  QA      5.38                
         HD2    79 ASN  HA      3.30                
         HD2    81 TRP  HB3     6.00                
         HD2    81 TRP  HD1     7.00                
         HD2    81 TRP  HZ3     3.30                
         HD2    81 TRP  HH2     3.30                
         HD2    84 ILE  QG2     7.00                
         HD2    84 ILE  HG12    4.50                
         HD2    84 ILE  HG13    4.50                
         HD2    84 ILE  QG1     3.85                
         HD2    96 VAL  QG1     7.00                
         HD2   100 TRP  HD1     5.50                
         HD2   100 TRP  HZ3     6.50                
         HE1    78 GLY  QA      5.38                
         HE1    81 TRP  HH2     5.50                
 75 LYS+ 
         HN     75 LYS+ HA      2.80                
         HN     75 LYS+ QB      3.80                
         HN     75 LYS+ HG2     4.00                
         HN     75 LYS+ HG3     4.00                
         HN     75 LYS+ QG      3.34                
         HN     75 LYS+ QD      5.00                
         HN     76 VAL  HN      2.80                
         HN     77 LEU  HN      4.00                
         HA     75 LYS+ HG2     4.00                
         HA     75 LYS+ HG3     4.00                
         HA     75 LYS+ QG      3.56                
         HA     75 LYS+ QD      5.00                
         QB     75 LYS+ HE2     6.00                
         QB     75 LYS+ HE3     6.00                
         QB     75 LYS+ QE      5.45                
         QB     76 VAL  HN      4.30                
         QB     76 VAL  QG1     7.50                
         QB     76 VAL  QG2     6.50                
         QG     76 VAL  QG1     7.38                
 76 VAL  
         HN     76 VAL  HA      2.80                
         HN     76 VAL  HB      2.80                
         HN     76 VAL  QG2     4.30                
         HN     77 LEU  HN      2.80                
         HN     78 GLY  HN      4.00                
         HA     77 LEU  HN      3.30                
         HA     78 GLY  HN      6.00                
         HB     77 LEU  HN      3.30                
         HB     77 LEU  QQD     8.07                
         HB     78 GLY  HN      5.00                
         QG1    77 LEU  HN      5.50                
         QG2    77 LEU  HG      4.80                
         QG2    77 LEU  QD1     7.00                
         QG2    77 LEU  QD2     7.00                
         QG2    77 LEU  QQD     6.23                
 77 LEU  
         HN     77 LEU  HB2     2.80                
         HN     77 LEU  HB3     4.00                
         HN     77 LEU  HG      3.30                
         HN     77 LEU  QQD     7.07                
         HN     78 GLY  HN      2.80                
         HA     77 LEU  HG      4.00                
         HA     77 LEU  QD1     5.50                
         HA     77 LEU  QD2     5.50                
         HA     80 ARG+ QD      6.00                
         HB2    78 GLY  HN      4.00                
         HB3    78 GLY  HN      5.00                
         HB3    80 ARG+ HN      5.00                
         HB3    80 ARG+ QD      5.00                
         HB3    80 ARG+ HE      5.00                
         HG     78 GLY  HN      5.00                
         QD1    83 GLU- QB      7.50                
         QD1    83 GLU- QG      6.50                
         QD1    84 ILE  QD1     7.00                
         QD2    83 GLU- QB      7.50                
         QD2    83 GLU- QG      6.50                
         QD2    84 ILE  QD1     7.00                
         QQD    78 GLY  HN      8.07                
         QQD    80 ARG+ HN      8.07                
         QQD    80 ARG+ QD      8.07                
         QQD    80 ARG+ HE      8.07                
         QQD    83 GLU- QB      6.84                
         QQD    84 ILE  HA      7.07                
         QQD    84 ILE  QG2     8.57                
 78 GLY  
         HN     78 GLY  HA1     2.80                
         HN     78 GLY  HA2     2.80                
         HN     79 ASN  HN      4.00                
         HN     84 ILE  QD1     6.50                
         QA     79 ASN  HN      3.13                
 79 ASN  
         HN     79 ASN  QB      3.68                
         HN     80 ARG+ HN      3.30                
         HA     80 ARG+ HN      3.00                
         HA     81 TRP  HD1     5.50                
         HA     81 TRP  HE1     4.00                
         HA     81 TRP  HZ3     4.00                
         HA     81 TRP  HH2     4.00                
         HB2    79 ASN  HD21    4.00                
         HB2    79 ASN  HD22    4.00                
         HB2    81 TRP  HE1     2.80                
         HB3    79 ASN  HD21    4.00                
         HB3    79 ASN  HD22    4.00                
         HB3    81 TRP  HE1     2.80                
         QB     81 TRP  HD1     5.38                
 80 ARG+ 
         HN     80 ARG+ HA      2.80                
         HN     80 ARG+ HB2     3.30                
         HN     80 ARG+ HB3     3.30                
         HN     80 ARG+ QB      2.93                
         HN     80 ARG+ HG2     4.00                
         HN     80 ARG+ HG3     4.00                
         HN     81 TRP  HN      4.00                
         HA     80 ARG+ HG2     4.00                
         HA     80 ARG+ HG3     4.00                
         HA     80 ARG+ QG      3.56                
         HA     80 ARG+ QD      5.00                
         HB2    80 ARG+ HE      5.00                
         HB3    80 ARG+ HE      5.00                
         QB     80 ARG+ HE      4.14                
         QB     82 ALA  HN      5.88                
         QB     83 GLU- QG      6.88                
         HG2    80 ARG+ HE      4.00                
         HG2    83 GLU- HN      5.00                
         HG3    80 ARG+ HE      4.00                
         HG3    83 GLU- HN      5.00                
         QG     80 ARG+ HE      3.56                
         QG     81 TRP  HN      4.88                
         QG     83 GLU- HN      4.14                
         QG     83 GLU- QG      6.88                
         QD     81 TRP  HN      6.00                
         QD     83 GLU- QB      6.00                
         QD     83 GLU- QG      6.00                
         HE     83 GLU- QB      7.00                
         HE     83 GLU- QG      5.00                
         O      84 ILE  N       3.30                
         O      84 ILE  HN      2.30                
 81 TRP  
         HN     81 TRP  HA      2.80                
         HN     81 TRP  HB2     4.00                
         HN     81 TRP  HD1     3.30                
         HN     82 ALA  HN      2.80                
         HN     83 GLU- HN      5.00                
         HA     81 TRP  HE3     5.00                
         HA     81 TRP  HE1     6.00                
         HA     81 TRP  HZ3     5.00                
         HA     83 GLU- HN      4.00                
         HA     84 ILE  HB      4.00                
         HA     84 ILE  QG2     5.50                
         HA     84 ILE  QD1     5.50                
         HA     96 VAL  QG1     5.50                
         HB2    81 TRP  HE3     4.00                
         HB2    81 TRP  HE1     5.00                
         HB2    82 ALA  HN      2.80                
         HB2    93 ASP- HA      5.00                
         HB2    93 ASP- QB      5.00                
         HB3    81 TRP  HE3     4.00                
         HB3    81 TRP  HZ3     5.00                
         HB3    82 ALA  HN      4.00                
         HB3    93 ASP- HA      5.00                
         HB3    93 ASP- QB      6.00                
         HD1    82 ALA  HN      4.50                
         HD1    93 ASP- HA      5.50                
         HD1    93 ASP- QB      4.80                
         HD1    96 VAL  HB      6.50                
         HD1    97 LYS+ HB2     3.80                
         HD1    97 LYS+ HB3     3.80                
         HD1    97 LYS+ HG2     4.50                
         HD1    97 LYS+ HG3     4.50                
         HD1    97 LYS+ QG      4.07                
         HD1    97 LYS+ HD2     3.30                
         HD1    97 LYS+ HD3     3.30                
         HD1    97 LYS+ QE      4.20                
         HE3    84 ILE  HB      4.00                
         HE3    84 ILE  QG2     4.00                
         HE3    96 VAL  QG1     4.00                
         HE1    97 LYS+ HG2     4.00                
         HE1    97 LYS+ HG3     4.00                
         HE1    97 LYS+ QG      3.56                
         HE1    97 LYS+ HD2     4.00                
         HE1    97 LYS+ HD3     4.00                
         HE1    97 LYS+ QD      3.56                
         HZ3    84 ILE  HB      5.00                
         HZ3    84 ILE  QG2     5.50                
         HZ3    84 ILE  QG1     4.18                
         HZ3    96 VAL  HB      5.00                
         HZ3   100 TRP  HA      5.00                
         HZ3   100 TRP  HB2     4.00                
         HZ3   100 TRP  HD1     5.00                
         HH2    84 ILE  QG2     7.50                
         HH2    84 ILE  QD1     6.50                
         HH2    96 VAL  QG1     6.50                
         HH2   100 TRP  HA      5.00                
         HH2   100 TRP  HD1     3.30                
         HH2   100 TRP  HE1     4.00                
         HH2   100 TRP  HZ3     7.00                
         O      85 ALA  N       3.30                
         O      85 ALA  HN      2.30                
 82 ALA  
         HN     82 ALA  HA      2.80                
         HN     83 GLU- HN      2.80                
         HA     85 ALA  QB      4.80                
         HA     93 ASP- HA      4.00                
         HA     93 ASP- QB      3.80                
         QB     83 GLU- HN      4.30                
         QB     83 GLU- QG      6.50                
         QB     93 ASP- QB      5.30                
 83 GLU- 
         HN     83 GLU- HA      2.80                
         HN     83 GLU- QB      3.80                
         HN     83 GLU- QG      3.80                
         HN     84 ILE  HN      2.80                
         HN     85 ALA  HN      4.00                
         HA     86 LYS+ QD      4.88                
 84 ILE  
         HN     84 ILE  HB      4.00                
         HN     84 ILE  QG1     4.88                
         HN     85 ALA  HN      2.80                
         HA     87 LEU  QB      5.88                
         QG2    85 ALA  HN      4.80                
         QG2    85 ALA  HA      6.50                
         QG2    96 VAL  QG1     5.80                
         QG2    96 VAL  QG2     7.00                
         QD1    96 VAL  QG1     7.00                
 85 ALA  
         HN     85 ALA  HA      2.80                
         HN     86 LYS+ HN      2.80                
         HA     88 LEU  QQD     6.37                
         HA     96 VAL  QG1     6.50                
         HA     96 VAL  QG2     4.80                
         QB     86 LYS+ HB2     5.50                
         QB     86 LYS+ HB3     7.50                
         QB     88 LEU  QQD     8.57                
         QB     92 THR  HA      4.80                
         QB     92 THR  QG2     6.30                
         QB     93 ASP- HA      4.30                
         QB     93 ASP- QB      6.00                
         QB     96 VAL  HB      5.50                
         QB     96 VAL  QG1     7.00                
         QB     96 VAL  QG2     5.80                
         O      88 LEU  N       3.30                
         O      88 LEU  HN      2.30                
 86 LYS+ 
         HN     86 LYS+ HB2     3.30                
         HN     86 LYS+ HB3     4.00                
         HN     86 LYS+ QG      4.88                
         HN     87 LEU  HN      4.00                
         HA     86 LYS+ HB2     2.80                
         HA     86 LYS+ HG2     4.00                
         HA     86 LYS+ HG3     4.00                
         HA     86 LYS+ QD      4.88                
         HB2    86 LYS+ QD      3.51                
         HB3    86 LYS+ QD      3.51                
 87 LEU  
         HN     87 LEU  HB2     4.00                
         HN     87 LEU  HB3     4.00                
         HN     87 LEU  HG      4.00                
         HN     87 LEU  QD2     5.50                
         HN     88 LEU  HN      2.80                
         HA     87 LEU  QD1     5.50                
         HA     87 LEU  QD2     4.80                
         HB2    88 LEU  HN      6.00                
         HB3    88 LEU  HN      6.00                
         QB     88 LEU  HN      5.45                
         QD1    88 LEU  HN      6.50                
         QD2    88 LEU  HN      6.50                
 88 LEU  
         HN     88 LEU  HB2     4.00                
         HN     88 LEU  HG      4.00                
         HN     88 LEU  QQD     8.07                
         HA     88 LEU  HG      4.00                
         HA     88 LEU  QD1     6.50                
         HA     88 LEU  QD2     6.50                
         HA     89 PRO  QD      3.80                
 89 PRO  
         HA     90 GLY  HN      3.30                
         HB2    90 GLY  HN      4.00                
 90 GLY  
         HN     91 ARG+ HN      4.00                
 91 ARG+ 
         HN     91 ARG+ HB2     4.00                
         HN     91 ARG+ HB3     4.00                
         HN     91 ARG+ QD      6.88                
         HA     91 ARG+ HD2     3.30                
         HA     91 ARG+ HD3     3.30                
         HA     91 ARG+ HE      6.00                
         HA     92 THR  QG2     5.50                
         HB2    91 ARG+ HE      6.00                
         HB2    92 THR  HN      6.00                
         HB2    95 ALA  QB      6.50                
         HB2    96 VAL  QG2     5.50                
         HB3    91 ARG+ HE      6.00                
         HB3    92 THR  HN      6.00                
         HB3    95 ALA  QB      6.50                
         HB3    96 VAL  QG2     5.50                
         QB     91 ARG+ HE      5.45                
         QB     95 ALA  QB      5.96                
         QB     96 VAL  QG2     5.09                
         HD2    96 VAL  QG2     6.50                
         HD3    96 VAL  QG2     6.50                
         QD     92 THR  HN      5.88                
         QD     95 ALA  QB      6.38                
 92 THR  
         HA     92 THR  HB      2.80                
         QG2    93 ASP- HN      4.30                
         QG2    95 ALA  QB      7.00                
 93 ASP- 
         HN     93 ASP- HA      2.80                
         HN     93 ASP- QB      3.80                
         HN     94 ASN  HN      3.30                
         HA     96 VAL  HN      4.00                
         HA     96 VAL  HB      4.00                
         HA     96 VAL  QG2     4.80                
         QB     96 VAL  HN      6.00                
         O      97 LYS+ N       3.30                
         O      97 LYS+ HN      2.30                
 94 ASN  
         HN     94 ASN  HB2     3.30                
         HN     94 ASN  HB3     3.30                
         HN     94 ASN  HD21    5.00                
         HN     94 ASN  HD22    5.00                
         HN     94 ASN  QD2     4.44                
         HN     95 ALA  HN      2.80                
         HA     94 ASN  HB2     2.80                
         HA     94 ASN  HB3     2.80                
         HA     94 ASN  HD21    5.00                
         HA     94 ASN  HD22    5.00                
         HA     95 ALA  HN      3.30                
         HA     95 ALA  QB      6.50                
         HA     97 LYS+ HB2     4.00                
         HA     97 LYS+ HB3     4.00                
         HA     97 LYS+ HG2     6.00                
         HA     97 LYS+ HG3     6.00                
         HA     97 LYS+ QG      5.45                
         HB2    94 ASN  HD21    4.00                
         HB2    94 ASN  HD22    4.00                
         HB3    94 ASN  HD21    4.00                
         HB3    94 ASN  HD22    4.00                
         QB     94 ASN  QD2     3.23                
         QB     95 ALA  HN      3.68                
         QB     95 ALA  HA      5.88                
         QB     95 ALA  QB      6.38                
 95 ALA  
         HN     95 ALA  HA      2.80                
         HN     96 VAL  HN      2.80                
         HA     98 ASN  HB2     5.00                
         HA     98 ASN  HB3     5.00                
         QB     96 VAL  HN      3.80                
         QB     96 VAL  HA      6.00                
         QB     96 VAL  QG1     7.50                
         QB     96 VAL  QG2     7.00                
         QB     98 ASN  HB2     6.50                
         QB     98 ASN  HB3     6.50                
 96 VAL  
         HN     96 VAL  HB      2.80                
         HN     96 VAL  QG2     4.30                
         HN     97 LYS+ HN      3.30                
         HA     99 HIS  HN      4.00                
         HA     99 HIS  HD2     4.50                
         HB     97 LYS+ HN      2.80                
         QG1    99 HIS  HD2     6.00                
         QG2    99 HIS  HD2     6.00                
 97 LYS+ 
         HN     97 LYS+ QB      3.46                
         HN     97 LYS+ QG      4.88                
         HN     97 LYS+ QE      5.00                
         HN     98 ASN  HN      3.30                
         QB     98 ASN  HN      3.68                
         HG2   101 ASN  HD21    6.75                
         HG2   101 ASN  HD22    6.75                
         HG3   101 ASN  HD21    6.75                
         HG3   101 ASN  HD22    6.75                
         QG     98 ASN  HN      4.88                
         QG    101 ASN  QD2     5.81                
 98 ASN  
         HN     98 ASN  HA      2.80                
         HN     98 ASN  HB2     2.80                
         HN     98 ASN  HB3     2.80                
         HN     98 ASN  QD2     4.87                
         HN     99 HIS  HN      2.80                
         HA     98 ASN  HB2     2.80                
         HA     98 ASN  HB3     2.80                
         HA     98 ASN  HD21    4.00                
         HA     98 ASN  HD22    4.00                
         HA     98 ASN  QD2     3.56                
         HA    101 ASN  HN      4.00                
         HA    101 ASN  HB2     4.00                
         HA    101 ASN  HB3     5.00                
         HA    101 ASN  HD21    5.00                
         HA    101 ASN  HD22    5.00                
         HA    101 ASN  QD2     4.44                
         HA    102 SER  HN      5.00                
         HB2    98 ASN  HD21    4.00                
         HB2    98 ASN  HD22    4.00                
         HB3    98 ASN  HD21    4.00                
         HB3    98 ASN  HD22    4.00                
 99 HIS  
         HN     99 HIS  HA      2.80                
         HN     99 HIS  HB2     2.80                
         HN     99 HIS  HB3     2.80                
         HN    100 TRP  HN      2.80                
         HB2    99 HIS  HD2     3.80                
         HB2   100 TRP  HN      4.00                
         HB3    99 HIS  HD2     3.80                
         HB3   100 TRP  HN      4.00                
         HD2   100 TRP  HZ3     6.50                
         HD2   104 ILE  HB      5.50                
         HD2   104 ILE  QD1     4.80                
         HE1   103 THR  HA      5.50                
         HE1   103 THR  HB      3.30                
         HE1   103 THR  QG2     4.80                
         HE1   104 ILE  HA      5.50                
         HE1   104 ILE  QG1     6.38                
         HE1   104 ILE  QD1     4.50                
100 TRP  
         HN    100 TRP  HB2     2.80                
         HN    100 TRP  HB3     2.80                
         HN    100 TRP  HE3     4.00                
         HN    101 ASN  HN      2.80                
         HA    100 TRP  HD1     5.50                
         HA    100 TRP  HE3     2.80                
         HA    100 TRP  HE1     6.00                
         HA    100 TRP  HZ3     5.00                
         HA    104 ILE  HB      4.00                
         HA    104 ILE  QG2     6.50                
         HA    104 ILE  QD1     5.50                
         HB2   100 TRP  HE3     4.00                
         HB2   100 TRP  HE1     5.00                
         HB2   101 ASN  HN      3.30                
         HB3   100 TRP  HE1     5.00                
         HB3   101 ASN  HN      3.30                
         HD1   101 ASN  HA      5.50                
         HE3   101 ASN  HN      5.20                
         HE3   104 ILE  HB      4.00                
         HE3   104 ILE  QG2     6.50                
         HE3   104 ILE  QD1     6.50                
         HZ3   104 ILE  QG2     4.30                
101 ASN  
         HN    101 ASN  HA      2.80                
         HN    101 ASN  HB2     2.80                
         HN    101 ASN  HB3     3.30                
         HN    101 ASN  HD21    4.00                
         HN    101 ASN  HD22    4.00                
         HN    101 ASN  QD2     3.56                
         HN    102 SER  HN      2.80                
         HA    102 SER  HN      3.30                
         HA    105 LYS+ HB2     5.00                
         HA    105 LYS+ HB3     5.00                
         HA    105 LYS+ QG      6.00                
         HA    105 LYS+ QD      4.18                
         HB2   101 ASN  HD21    4.00                
         HB2   101 ASN  HD22    4.00                
         HB2   101 ASN  QD2     3.34                
         HB2   102 SER  HN      3.30                
         HB3   101 ASN  HD21    4.00                
         HB3   101 ASN  HD22    4.00                
         HB3   101 ASN  QD2     3.56                
         HB3   102 SER  HN      4.00                
102 SER  
         HN    102 SER  HA      2.80                
         HN    103 THR  HN      2.80                
         HA    102 SER  HB2     2.80                
         HA    102 SER  HB3     2.80                
103 THR  
         HN    103 THR  HA      2.80                
         HN    103 THR  HB      3.30                
         HN    103 THR  QG2     4.80                
         HN    104 ILE  HN      2.80                
         HA    103 THR  HB      2.80                
         HA    104 ILE  HN      3.30                
         HB    104 ILE  HN      3.30                
         QG2   104 ILE  HA      5.50                
         QG2   104 ILE  QG2     7.00                
         QG2   104 ILE  HG12    6.50                
         QG2   104 ILE  HG13    6.50                
         QG2   104 ILE  QG1     5.96                
         QG2   104 ILE  QD1     7.00                
104 ILE  
         HN    104 ILE  HB      2.80                
         HN    104 ILE  HG12    4.00                
         HN    104 ILE  HG13    4.00                
         HN    104 ILE  QG1     3.56                
         HN    105 LYS+ HN      2.80                
         HA    104 ILE  HG12    4.00                
         HA    104 ILE  HG13    4.00                
         HA    105 LYS+ HN      2.80                
         QG2   105 LYS+ HA      6.50                
         QG1   105 LYS+ QG      6.88                
         QD1   105 LYS+ QD      7.68                
105 LYS+ 
         HN    105 LYS+ HA      2.80                
         HN    105 LYS+ QB      3.46                
         HN    106 ARG+ HN      4.00                
         HA    105 LYS+ QG      3.80                
         HA    105 LYS+ HD2     6.00                
         HA    105 LYS+ HD3     6.00                
         HA    105 LYS+ QD      5.45                
         HA    105 LYS+ QE      5.88                
         HA    106 ARG+ HN      2.80                
         HA    108 VAL  QG1     6.50                
         HA    108 VAL  QG2     6.50                
         HA    108 VAL  QQG     5.82                
         HB2   105 LYS+ HE2     5.05                
         HB2   105 LYS+ HE3     5.05                
         HB3   105 LYS+ HE2     5.05                
         HB3   105 LYS+ HE3     5.05                
         QB    105 LYS+ QD      3.62                
         QB    105 LYS+ QE      4.24                
         QD    106 ARG+ HN      4.18                
         QD    106 ARG+ HE      4.88                
106 ARG+ 
         HN    106 ARG+ HA      2.80                
         HN    106 ARG+ HB2     3.30                
         HN    106 ARG+ HB3     3.30                
         HN    106 ARG+ QB      2.93                
         HN    106 ARG+ QG      3.80                
         HN    107 LYS+ HN      2.80                
         HA    106 ARG+ QG      3.80                
         HA    106 ARG+ QD      5.00                
         HA    106 ARG+ HE      6.00                
107 LYS+ 
         HN    107 LYS+ HA      2.80                
         HN    107 LYS+ HB2     2.80                
         HN    107 LYS+ HB3     2.80                
         HN    107 LYS+ HG2     4.00                
         HN    107 LYS+ HG3     4.00                
         HN    107 LYS+ QD      5.00                
         HA    107 LYS+ QE      5.00                
         HA    108 VAL  HN      2.80                
108 VAL  
         HN    108 VAL  HA      2.80                
         HN    108 VAL  HB      2.80                
         HN    109 ASP- HN      2.80                
         HA    108 VAL  HB      2.80                
         HB    109 ASP- HN      3.30                
109 ASP- 
         HN    109 ASP- HA      2.80                
         HN    109 ASP- HB2     3.30                
         HN    109 ASP- HB3     3.30                
         HN    109 ASP- QB      2.93                
         HN    110 THR  HN      3.30                
         HA    110 THR  HN      3.30                
         QB    110 THR  QG2     7.38                
110 THR  
         HN    110 THR  HA      2.80                



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