*HEADER    MEMBRANE PROTEIN                        10-DEC-00   1HO7              
*TITLE     NMR STRUCTURE OF THE POTASSIUM CHANNEL FRAGMENT L45 IN TFE            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VOLTAGE-GATED POTASSIUM CHANNEL PROTEIN;                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: L45 SEGMENT OF THE SHAKER POTASSIUM CHANNEL                
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                        
*SOURCE   3 ORGANISM_COMMON: FRUIT FLY                                           
*KEYWDS    HELIX, PEPTIDE                                                        
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    O.OHLENSCHLAGER, H.HOJO, R.RAMACHANDRAN, M.GORLACH,                   
*AUTHOR   2 P.I.HARIS                                                            
*REVDAT   1   05-JUN-02 1HO7    0                                                
  1 HIS  HN      2 SER  HA      4.20                
  1 HIS  HN      2 SER  QB      6.38                
  1 HIS  HB2     2 SER  HN      5.50                
  1 HIS  HB3     2 SER  HN      5.50                
  2 SER  HA      4 GLY  HN      4.50                
  2 SER  HA      5 LEU  HN      5.50                
  2 SER  HA      5 LEU  QB      6.38                
  2 SER  HB2     3 LYS  HN      5.50                
  2 SER  HB3     3 LYS  HN      5.50                
  2 SER  QB      3 LYS  QB      8.25                
  2 SER  QB      5 LEU  QQD     9.97                
  2 SER  QB      6 GLN  HN      5.28                
  3 LYS  HN      3 LYS  QG      5.18                
  3 LYS  HA      3 LYS  QD      5.98                
  3 LYS  HA      5 LEU  QQD     7.20                
  3 LYS  HA      6 GLN  HN      4.70                
  3 LYS  HA      6 GLN  HB2     5.30                
  3 LYS  HA      6 GLN  HB3     5.30                
  3 LYS  HA      6 GLN  QB      4.61                
  3 LYS  HA      7 ILE  HN      5.50                
  3 LYS  QB      4 GLY  HN      6.28                
  3 LYS  QB      7 ILE  QG1     7.35                
  3 LYS  QD      4 GLY  HN      7.38                
  3 LYS  QD      7 ILE  QD1     7.50                
  4 GLY  HN      5 LEU  HN      4.70                
  4 GLY  HN      5 LEU  HA      4.90                
  4 GLY  HN      7 ILE  HB      5.50                
  4 GLY  HA1     7 ILE  HN      5.00                
  4 GLY  HA1     7 ILE  HB      5.50                
  4 GLY  HA1     8 LEU  HN      5.50                
  4 GLY  HA2     7 ILE  HN      5.00                
  4 GLY  HA2     7 ILE  HB      5.50                
  4 GLY  HA2     8 LEU  HN      5.50                
  4 GLY  QA      7 ILE  HN      4.77                
  4 GLY  QA      7 ILE  HB      4.69                
  4 GLY  QA      7 ILE  QD1     7.40                
  4 GLY  QA      8 LEU  HN      5.28                
  5 LEU  HN      5 LEU  QB      3.85                
  5 LEU  HN      5 LEU  HG      4.80                
  5 LEU  HN      5 LEU  QQD     9.10                
  5 LEU  HN      6 GLN  HN      4.40                
  5 LEU  HN      7 ILE  HN      5.50                
  5 LEU  HN      8 LEU  QQD     9.10                
  5 LEU  HA      5 LEU  HG      3.60                
  5 LEU  HA      5 LEU  QD1     7.53                
  5 LEU  HA      5 LEU  QD2     7.53                
  5 LEU  HA      7 ILE  HN      5.40                
  5 LEU  HA      8 LEU  HN      4.30                
  5 LEU  HA      8 LEU  HB2     4.20                
  5 LEU  HA      8 LEU  HB3     4.20                
  5 LEU  HA      8 LEU  QB      3.67                
  5 LEU  HA      8 LEU  QD1     7.53                
  5 LEU  HA      8 LEU  QD2     7.53                
  5 LEU  HA      8 LEU  QQD     6.46                
  5 LEU  HA      9 GLY  HN      5.50                
  5 LEU  HB2     6 GLN  HN      5.50                
  5 LEU  HB2     8 LEU  HB2     5.35                
  5 LEU  HB2     8 LEU  HB3     5.35                
  5 LEU  HB3     6 GLN  HN      5.50                
  5 LEU  HB3     8 LEU  HB2     5.35                
  5 LEU  HB3     8 LEU  HB3     5.35                
  5 LEU  QB      6 GLN  HN      5.28                
  5 LEU  QB      8 LEU  HN      4.68                
  5 LEU  QB      8 LEU  QB      4.29                
  5 LEU  QB      8 LEU  QQD     6.57                
  5 LEU  HG      9 GLY  HN      5.50                
  5 LEU  QQD     7 ILE  HN      9.10                
  5 LEU  QQD     8 LEU  HN      9.10                
  5 LEU  QQD     9 GLY  QA      8.07                
  6 GLN  HN      6 GLN  HB2     3.80                
  6 GLN  HN      6 GLN  HB3     3.80                
  6 GLN  HN      6 GLN  QB      3.50                
  6 GLN  HN      6 GLN  HG2     5.20                
  6 GLN  HN      6 GLN  HG3     5.20                
  6 GLN  HA      7 ILE  HA      5.30                
  6 GLN  HA      9 GLY  HN      5.50                
  6 GLN  HA      9 GLY  QA      6.18                
  6 GLN  HB2     7 ILE  HN      4.60                
  6 GLN  HB3     7 ILE  HN      4.60                
  6 GLN  QB      7 ILE  HN      4.32                
  6 GLN  QG      7 ILE  HN      6.38                
  7 ILE  HN      7 ILE  HB      3.40                
  7 ILE  HN      7 ILE  QG1     6.38                
  7 ILE  HN      7 ILE  QD1     7.53                
  7 ILE  HN      8 LEU  HN      3.50                
  7 ILE  HN      8 LEU  HA      4.90                
  7 ILE  HN      9 GLY  HN      5.50                
  7 ILE  HA      8 LEU  HA      4.90                
  7 ILE  HA     10 ARG  HN      4.70                
  7 ILE  HA     10 ARG  QB      6.08                
  7 ILE  HA     10 ARG  QD      7.38                
  7 ILE  HA     11 THR  HN      5.50                
  7 ILE  HB      8 LEU  HN      3.80                
  7 ILE  HB      8 LEU  QB      5.08                
  7 ILE  HB      8 LEU  QQD     5.80                
  7 ILE  QG2     8 LEU  QQD     8.53                
  7 ILE  QG2    10 ARG  QB      9.30                
  7 ILE  QG1     8 LEU  HN      7.18                
  7 ILE  QG1    10 ARG  HN      7.38                
  7 ILE  QG1    10 ARG  QB      7.95                
  7 ILE  QG1    10 ARG  QD      8.35                
  8 LEU  HN      9 GLY  HN      3.90                
  8 LEU  HN      9 GLY  HA1     5.50                
  8 LEU  HN      9 GLY  HA2     5.50                
  8 LEU  HN      9 GLY  QA      5.18                
  8 LEU  HN     10 ARG  HN      4.20                
  8 LEU  HN     10 ARG  QB      6.48                
  8 LEU  HN     11 THR  HN      4.50                
  8 LEU  HN     12 LEU  HG      4.60                
  8 LEU  HA      8 LEU  HG      3.90                
  8 LEU  HA      9 GLY  QA      5.78                
  8 LEU  HA     11 THR  HN      3.90                
  8 LEU  HA     11 THR  QG2     7.53                
  8 LEU  HB2     9 GLY  HA1     7.25                
  8 LEU  HB2     9 GLY  HA2     7.25                
  8 LEU  HB3     9 GLY  HA1     7.25                
  8 LEU  HB3     9 GLY  HA2     7.25                
  8 LEU  QB      9 GLY  QA      5.79                
  8 LEU  QB     12 LEU  HN      5.08                
  8 LEU  QB     12 LEU  QQD     9.07                
  8 LEU  HG      9 GLY  HN      4.20                
  8 LEU  HG     12 LEU  QQD     6.00                
  8 LEU  QQD    12 LEU  HN      9.10                
  8 LEU  QQD    12 LEU  QQD     9.19                
  9 GLY  HN     10 ARG  HN      4.00                
  9 GLY  HN     10 ARG  HA      5.50                
  9 GLY  HA1    12 LEU  HN      5.50                
  9 GLY  HA1    13 LYS  HN      5.50                
  9 GLY  HA2    12 LEU  HN      5.50                
  9 GLY  HA2    13 LYS  HN      5.50                
  9 GLY  QA     10 ARG  QB      6.95                
  9 GLY  QA     11 THR  HB      6.38                
  9 GLY  QA     13 LYS  HN      5.33                
 10 ARG  HN     10 ARG  QG      5.48                
 10 ARG  HN     11 THR  HA      5.50                
 10 ARG  HN     13 LYS  QB      5.28                
 10 ARG  HA     10 ARG  QG      3.82                
 10 ARG  HA     10 ARG  QD      7.38                
 10 ARG  HA     13 LYS  HN      4.40                
 10 ARG  HA     13 LYS  QB      4.48                
 10 ARG  HA     14 ALA  HN      5.50                
 10 ARG  HA     14 ALA  QB      7.53                
 10 ARG  QB     10 ARG  HE      7.38                
 10 ARG  QB     13 LYS  HN      6.38                
 10 ARG  QB     14 ALA  HN      7.38                
 10 ARG  QG     11 THR  HN      6.08                
 10 ARG  QG     13 LYS  HN      5.08                
 10 ARG  QG     13 LYS  QG      5.45                
 10 ARG  QG     14 ALA  HN      5.08                
 10 ARG  QG     14 ALA  QB      5.80                
 10 ARG  QD     11 THR  HN      7.38                
 11 THR  HN     11 THR  HB      3.80                
 11 THR  HN     12 LEU  HN      3.60                
 11 THR  HN     14 ALA  QB      6.33                
 11 THR  HA     13 LYS  HN      5.50                
 11 THR  HA     14 ALA  HN      4.70                
 11 THR  HA     14 ALA  QB      4.83                
 11 THR  HA     15 SER  HN      3.90                
 11 THR  HB     12 LEU  HN      3.90                
 11 THR  HB     12 LEU  HA      3.80                
 11 THR  HB     12 LEU  QB      6.38                
 11 THR  HB     12 LEU  QQD     9.10                
 11 THR  HB     13 LYS  HN      5.50                
 11 THR  QG2    12 LEU  HN      7.53                
 11 THR  QG2    12 LEU  HA      6.93                
 11 THR  QG2    15 SER  QB      7.40                
 12 LEU  HN     12 LEU  QQD     9.10                
 12 LEU  HN     13 LYS  HN      3.90                
 12 LEU  HN     13 LYS  QB      4.88                
 12 LEU  HN     15 SER  QB      4.88                
 12 LEU  HA     15 SER  HN      3.90                
 12 LEU  QB     13 LYS  QB      5.35                
 12 LEU  QB     15 SER  QB      5.15                
 12 LEU  QB     16 MET  HN      5.68                
 12 LEU  HG     13 LYS  HN      5.50                
 12 LEU  QQD    13 LYS  HN      9.10                
 12 LEU  QQD    15 SER  QB      7.17                
 13 LYS  HN     13 LYS  HB2     3.70                
 13 LYS  HN     13 LYS  HB3     3.70                
 13 LYS  HN     13 LYS  QB      3.49                
 13 LYS  HN     13 LYS  HG2     5.50                
 13 LYS  HN     13 LYS  HG3     5.50                
 13 LYS  HN     13 LYS  QG      4.86                
 13 LYS  HN     13 LYS  QD      7.38                
 13 LYS  HN     14 ALA  HN      3.50                
 13 LYS  HN     14 ALA  HA      5.50                
 13 LYS  HN     15 SER  HN      3.20                
 13 LYS  HA     13 LYS  QD      7.28                
 13 LYS  HA     16 MET  HN      5.00                
 13 LYS  HA     16 MET  HB2     4.40                
 13 LYS  HA     16 MET  HB3     4.40                
 13 LYS  HA     16 MET  QB      4.21                
 13 LYS  HA     16 MET  QG      6.38                
 13 LYS  HB2    14 ALA  HN      5.20                
 13 LYS  HB2    16 MET  HB2     7.25                
 13 LYS  HB2    16 MET  HB3     7.25                
 13 LYS  HB3    14 ALA  HN      5.20                
 13 LYS  HB3    16 MET  HB2     7.25                
 13 LYS  HB3    16 MET  HB3     7.25                
 13 LYS  QB     14 ALA  HN      4.69                
 13 LYS  QB     14 ALA  HA      5.88                
 13 LYS  QB     14 ALA  QB      8.40                
 13 LYS  QB     15 SER  HN      6.38                
 13 LYS  QB     16 MET  QB      6.32                
 13 LYS  QG     14 ALA  QB      4.90                
 13 LYS  QG     17 ARG  QB      6.15                
 13 LYS  QD     14 ALA  QB      8.50                
 13 LYS  QD     17 ARG  HB2     6.88                
 13 LYS  QD     17 ARG  HB3     6.88                
 13 LYS  QD     17 ARG  QB      6.43                
 13 LYS  QD     17 ARG  QD      8.15                
 13 LYS  QE     17 ARG  QG      9.25                
 14 ALA  HN     15 SER  HN      3.20                
 14 ALA  HN     15 SER  QB      6.38                
 14 ALA  HN     16 MET  HN      3.80                
 14 ALA  HA     15 SER  HA      4.90                
 14 ALA  HA     17 ARG  HN      4.50                
 14 ALA  HA     17 ARG  QB      4.78                
 14 ALA  HA     18 GLU  HN      5.20                
 14 ALA  QB     15 SER  HA      7.53                
 14 ALA  QB     15 SER  QB      5.60                
 14 ALA  QB     17 ARG  QB      8.40                
 15 SER  HN     15 SER  HB2     3.90                
 15 SER  HN     15 SER  HB3     3.90                
 15 SER  HN     16 MET  HN      3.10                
 15 SER  HN     16 MET  HA      5.50                
 15 SER  HN     17 ARG  QB      6.38                
 15 SER  HA     18 GLU  HB2     3.70                
 15 SER  HA     18 GLU  HB3     3.70                
 15 SER  HA     18 GLU  QB      3.49                
 15 SER  QB     16 MET  HN      4.48                
 15 SER  QB     16 MET  HA      5.88                
 15 SER  QB     16 MET  QB      5.65                
 15 SER  QB     16 MET  QG      7.25                
 16 MET  HN     16 MET  HB2     3.80                
 16 MET  HN     16 MET  HB3     3.80                
 16 MET  HN     16 MET  HG2     5.10                
 16 MET  HN     16 MET  HG3     5.10                
 16 MET  HN     16 MET  QG      4.87                
 16 MET  HN     17 ARG  HN      3.50                
 16 MET  HN     17 ARG  HA      5.50                
 16 MET  HN     17 ARG  QB      5.48                
 16 MET  HA     19 LEU  HB2     5.00                
 16 MET  HA     19 LEU  HB3     5.00                
 16 MET  HA     19 LEU  QB      4.77                
 16 MET  HA     19 LEU  HG      5.50                
 16 MET  HA     19 LEU  QQD     9.10                
 16 MET  HB2    17 ARG  HN      5.30                
 16 MET  HB2    17 ARG  HB2     5.75                
 16 MET  HB2    17 ARG  HB3     5.75                
 16 MET  HB3    17 ARG  HN      5.30                
 16 MET  HB3    17 ARG  HB2     5.75                
 16 MET  HB3    17 ARG  HB3     5.75                
 16 MET  QB     17 ARG  QB      5.15                
 16 MET  QB     19 LEU  HN      6.38                
 17 ARG  HN     17 ARG  HB2     4.20                
 17 ARG  HN     17 ARG  HB3     4.20                
 17 ARG  HN     17 ARG  QG      6.48                
 17 ARG  HN     18 GLU  HN      4.80                
 17 ARG  HA     17 ARG  HD2     5.20                
 17 ARG  HA     17 ARG  HD3     5.20                
 17 ARG  HA     17 ARG  QD      4.74                
 17 ARG  QB     18 GLU  QB      7.25                
 17 ARG  QG     18 GLU  HN      7.38                
 18 GLU  HN     18 GLU  HB2     3.80                
 18 GLU  HN     18 GLU  HB3     3.80                
 18 GLU  HN     18 GLU  HG2     5.50                
 18 GLU  HN     18 GLU  HG3     5.50                
 18 GLU  HN     19 LEU  HN      5.10                
 18 GLU  HN     19 LEU  HA      4.50                
 18 GLU  HB2    19 LEU  HN      5.40                
 18 GLU  HB3    19 LEU  HN      5.40                
 18 GLU  QB     19 LEU  HA      4.38                
 18 GLU  QB     20 GLY  HN      6.18                
   1 HIS   PHI    -190.0     0.0
   1 HIS   PSI    -101.0   201.0
   2 SER   PHI    -191.0   -35.0
   2 SER   PSI    -101.0   201.0
   3 LYS   PHI    -191.0   -35.0
   3 LYS   CHI1   -345.0   -15.0
   3 LYS   CHI1   -225.0   115.0
   3 LYS   CHI2   -335.0   -25.0
   3 LYS   PSI    -101.0   201.0
   4 GLY   PHI    -335.0   -25.0
   5 LEU   PHI    -191.0   -35.0
   5 LEU   PSI    -101.0   201.0
   6 GLN   PHI    -191.0   -35.0
   6 GLN   CHI1   -355.0    -5.0
   6 GLN   CHI1   -215.0    95.0
   6 GLN   CHI2   -335.0   -25.0
   6 GLN   PSI    -101.0   201.0
   7 ILE   PHI    -191.0   -35.0
   7 ILE   CHI1   -345.0   -15.0
   7 ILE   CHI1   -285.0    45.0
   7 ILE   CHI1   -105.0    95.0
   7 ILE   CHI21  -335.0   -25.0
   7 ILE   CHI21  -105.0   215.0
   7 ILE   PSI    -225.0    15.0
   7 ILE   PSI    -101.0   201.0
   8 LEU   PHI    -191.0   -35.0
   8 LEU   CHI1   -165.0   165.0
   8 LEU   PSI    -101.0   201.0
   9 GLY   PHI    -335.0   -25.0
  10 ARG   PHI    -191.0   -35.0
  10 ARG   CHI1   -205.0    85.0
  10 ARG   CHI2   -335.0   -25.0
  10 ARG   PSI    -101.0   201.0
  11 THR   PHI    -191.0   -35.0
  11 THR   CHI1   -335.0   -25.0
  11 THR   CHI1    -35.0    35.0
  11 THR   CHI21  -325.0   -35.0
  11 THR   CHI21   -85.0   215.0
  11 THR   PSI    -101.0   -55.0
  11 THR   PSI     -75.0   275.0
  12 LEU   PHI     -45.0   -35.0
  12 LEU   CHI1     15.0   335.0
  12 LEU   PSI    -101.0   201.0
  13 LYS   PHI    -191.0   -35.0
  13 LYS   CHI1     15.0   235.0
  13 LYS   CHI1   -225.0   115.0
  13 LYS   CHI2   -335.0   -25.0
  13 LYS   PSI    -101.0   201.0
  14 ALA   PHI    -191.0   -35.0
  14 ALA   PSI    -101.0   201.0
  15 SER   PHI    -191.0   -35.0
  15 SER   PSI    -101.0   201.0
  16 MET   PHI    -191.0   -25.0
  16 MET   CHI1   -345.0   -15.0
  16 MET   CHI1   -205.0    95.0
  16 MET   CHI2   -325.0   -35.0
  16 MET   PSI    -101.0   201.0
  17 ARG   PHI    -191.0   -35.0
  17 ARG   CHI1   -205.0    85.0
  17 ARG   CHI2   -335.0   -25.0
  17 ARG   PSI    -101.0   201.0
  18 GLU   PHI    -191.0   -35.0
  18 GLU   CHI1   -355.0    -5.0
  18 GLU   CHI1   -135.0    25.0
  18 GLU   CHI2   -335.0   -25.0
  18 GLU   PSI    -235.0    -5.0
  18 GLU   PSI    -101.0   201.0
  19 LEU   PHI    -191.0   -35.0
  19 LEU   PSI    -101.0   201.0
  20 GLY   PHI    -335.0   -25.0

  Entry H atom name         Submitted Coord H atom name
    1   1H    HIS   1          1HN       HIS   1 -13.711   2.007  -1.139
    2   2H    HIS   1          2HN       HIS   1 -13.613   1.895  -2.767
    3   3H    HIS   1          3HN       HIS   1 -15.095   1.759  -2.034
    4    HA   HIS   1           HA       HIS   1 -14.427  -0.253  -0.957
    5   1HB   HIS   1          2HB       HIS   1 -13.795  -0.375  -3.933
    6   2HB   HIS   1          3HB       HIS   1 -14.255  -1.728  -2.897
    7    HD1  HIS   1           1HD      HIS   1 -16.927  -1.504  -1.859
    8    HD2  HIS   1           2HD      HIS   1 -15.745   0.915  -5.122
    9    HE1  HIS   1           1HE      HIS   1 -19.045  -0.531  -2.871
   10    H    SER   2           H        SER   2 -12.681  -1.719  -0.327
   11    HA   SER   2           HA       SER   2 -10.298  -0.287   0.016
   12   1HB   SER   2          1HB       SER   2  -9.583  -2.466   1.089
   13   2HB   SER   2          2HB       SER   2 -11.138  -1.832   1.664
   14    HG   SER   2           HG       SER   2 -10.561  -4.040   0.005
   15    H    LYS   3           H        LYS   3 -11.268  -2.385  -2.550
   16    HA   LYS   3           HA       LYS   3  -8.945  -3.750  -3.125
   17   1HB   LYS   3          1HB       LYS   3 -11.178  -2.966  -5.022
   18   2HB   LYS   3          2HB       LYS   3  -9.940  -4.192  -5.348
   19   1HG   LYS   3          1HG       LYS   3 -10.670  -5.342  -3.186
   20   2HG   LYS   3          2HG       LYS   3 -12.083  -4.288  -3.185
   21   1HD   LYS   3          1HD       LYS   3 -11.327  -6.250  -5.411
   22   2HD   LYS   3          2HD       LYS   3 -12.464  -6.564  -4.109
   23   1HE   LYS   3          1HE       LYS   3 -13.810  -6.035  -5.951
   24   2HE   LYS   3          2HE       LYS   3 -13.856  -4.609  -4.907
   25   1HZ   LYS   3          1HZ       LYS   3 -12.184  -4.922  -7.326
   26   2HZ   LYS   3          2HZ       LYS   3 -13.564  -4.032  -7.224
   27    H    GLY   4           H        GLY   4  -9.041  -0.440  -3.447
   28   1HA   GLY   4          1HA       GLY   4  -6.985  -0.361  -5.596
   29   2HA   GLY   4          2HA       GLY   4  -7.691   1.036  -4.761
   30    H    LEU   5           H        LEU   5  -7.298   1.149  -2.344
   31    HA   LEU   5           HA       LEU   5  -4.537   1.107  -2.023
   32   1HB   LEU   5          1HB       LEU   5  -4.758   2.070   0.056
   33   2HB   LEU   5          2HB       LEU   5  -5.925   2.804  -1.030
   34    HG   LEU   5           HG       LEU   5  -6.680   0.571   0.910
   35   1HD1  LEU   5          1HD1      LEU   5  -7.424   2.303   2.501
   36   2HD1  LEU   5          2HD1      LEU   5  -5.683   2.391   2.219
   37   3HD1  LEU   5          3HD1      LEU   5  -6.763   3.567   1.440
   38   1HD2  LEU   5          1HD2      LEU   5  -8.956   1.612   0.770
   39   2HD2  LEU   5          2HD2      LEU   5  -8.346   2.738  -0.456
   40   3HD2  LEU   5          3HD2      LEU   5  -8.410   0.990  -0.782
   41    H    GLN   6           H        GLN   6  -6.751  -1.495  -1.017
   42    HA   GLN   6           HA       GLN   6  -4.819  -2.645   0.786
   43   1HB   GLN   6          1HB       GLN   6  -6.124  -4.569   0.844
   44   2HB   GLN   6          2HB       GLN   6  -7.273  -3.251   0.637
   45   1HG   GLN   6          1HG       GLN   6  -7.273  -3.798  -1.851
   46   2HG   GLN   6          2HG       GLN   6  -6.300  -5.218  -1.486
   47   1HE2  GLN   6          1HE2      GLN   6  -7.318  -7.099  -0.639
   48   2HE2  GLN   6          2HE2      GLN   6  -9.041  -7.142  -0.317
   49    H    ILE   7           H        ILE   7  -4.813  -2.297  -2.649
   50    HA   ILE   7           HA       ILE   7  -2.715  -4.358  -2.982
   51    HB   ILE   7           HB       ILE   7  -4.302  -2.822  -5.092
   52   1HG1  ILE   7          1HG1      ILE   7  -4.666  -5.662  -4.024
   53   2HG1  ILE   7          2HG1      ILE   7  -5.807  -4.322  -3.893
   54   1HG2  ILE   7          1HG2      ILE   7  -3.315  -4.384  -6.706
   55   2HG2  ILE   7          2HG2      ILE   7  -2.031  -3.567  -5.842
   56   3HG2  ILE   7          3HG2      ILE   7  -2.454  -5.236  -5.403
   57   1HD1  ILE   7          1HD1      ILE   7  -5.083  -5.843  -6.412
   58   2HD1  ILE   7          2HD1      ILE   7  -6.645  -5.743  -5.584
   59   3HD1  ILE   7          3HD1      ILE   7  -5.998  -4.315  -6.416
   60    H    LEU   8           H        LEU   8  -3.396  -0.792  -3.366
   61    HA   LEU   8           HA       LEU   8  -0.651  -0.277  -4.016
   62   1HB   LEU   8          1HB       LEU   8  -3.216   1.340  -3.705
   63   2HB   LEU   8          2HB       LEU   8  -1.648   2.146  -3.622
   64    HG   LEU   8           HG       LEU   8  -1.013   1.330  -5.769
   65   1HD1  LEU   8          1HD1      LEU   8  -2.741   0.418  -7.368
   66   2HD1  LEU   8          2HD1      LEU   8  -2.316  -0.712  -6.086
   67   3HD1  LEU   8          3HD1      LEU   8  -3.842   0.198  -5.991
   68   1HD2  LEU   8          1HD2      LEU   8  -2.075   3.538  -5.533
   69   2HD2  LEU   8          2HD2      LEU   8  -2.481   2.822  -7.097
   70   3HD2  LEU   8          3HD2      LEU   8  -3.678   2.810  -5.785
   71    H    GLY   9           H        GLY   9  -2.454   1.606  -1.742
   72   1HA   GLY   9          1HA       GLY   9  -0.343   2.273  -0.167
   73   2HA   GLY   9          2HA       GLY   9  -2.030   2.409   0.347
   74    H    ARG  10           H        ARG  10  -1.885  -0.814   0.103
   75    HA   ARG  10           HA       ARG  10  -0.559  -1.234   2.682
   76   1HB   ARG  10          1HB       ARG  10  -2.643  -2.511   2.166
   77   2HB   ARG  10          2HB       ARG  10  -1.806  -3.253   0.799
   78   1HG   ARG  10          1HG       ARG  10  -0.022  -4.006   2.605
   79   2HG   ARG  10          2HG       ARG  10  -1.244  -3.551   3.765
   80   1HD   ARG  10          1HD       ARG  10  -2.042  -5.673   3.526
   81   2HD   ARG  10          2HD       ARG  10  -2.693  -5.177   1.964
   82    HE   ARG  10           HE       ARG  10  -0.426  -6.891   2.541
   83   1HH1  ARG  10          2HH2      ARG  10  -1.986  -5.092  -0.177
   84   2HH1  ARG  10          1HH2      ARG  10  -0.580  -5.282  -1.185
   85   1HH2  ARG  10          1HH1      ARG  10   1.127  -7.518   0.930
   86   2HH2  ARG  10          2HH1      ARG  10   0.929  -6.958  -0.695
   87    H    THR  11           H        THR  11  -0.114  -2.476  -0.746
   88    HA   THR  11           HA       THR  11   2.278  -3.946  -0.117
   89    HB   THR  11           HB       THR  11   1.599  -2.715  -2.794
   90    HG1  THR  11           1HG      THR  11  -0.117  -3.746  -2.862
   91   1HG2  THR  11          1HG2      THR  11   2.562  -4.836  -3.687
   92   2HG2  THR  11          2HG2      THR  11   3.728  -3.975  -2.670
   93   3HG2  THR  11          3HG2      THR  11   2.873  -5.395  -2.030
   94    H    LEU  12           H        LEU  12   1.530  -0.679  -1.415
   95    HA   LEU  12           HA       LEU  12   4.205   0.039  -1.976
   96   1HB   LEU  12          1HB       LEU  12   1.809   1.815  -1.330
   97   2HB   LEU  12          2HB       LEU  12   3.302   2.327  -2.099
   98    HG   LEU  12           HG       LEU  12   1.103   0.571  -3.335
   99   1HD1  LEU  12          1HD1      LEU  12   0.987   2.406  -4.932
  100   2HD1  LEU  12          2HD1      LEU  12   0.735   3.006  -3.283
  101   3HD1  LEU  12          3HD1      LEU  12   2.292   3.266  -4.097
  102   1HD2  LEU  12          1HD2      LEU  12   3.258  -0.378  -4.065
  103   2HD2  LEU  12          2HD2      LEU  12   2.512   0.535  -5.377
  104   3HD2  LEU  12          3HD2      LEU  12   3.863   1.246  -4.468
  105    H    LYS  13           H        LYS  13   2.601  -0.361   1.062
  106    HA   LYS  13           HA       LYS  13   4.106   1.786   2.481
  107   1HB   LYS  13          1HB       LYS  13   2.061   1.881   3.446
  108   2HB   LYS  13          2HB       LYS  13   1.616   0.252   2.965
  109   1HG   LYS  13          1HG       LYS  13   2.540  -0.794   4.799
  110   2HG   LYS  13          2HG       LYS  13   3.578   0.582   5.229
  111   1HD   LYS  13          1HD       LYS  13   1.676   1.922   5.869
  112   2HD   LYS  13          2HD       LYS  13   0.549   0.636   5.390
  113   1HE   LYS  13          1HE       LYS  13   2.669   0.418   7.578
  114   2HE   LYS  13          2HE       LYS  13   0.964   0.786   7.864
  115   1HZ   LYS  13          1HZ       LYS  13   0.394  -1.353   6.939
  116   2HZ   LYS  13          2HZ       LYS  13   1.989  -1.705   6.671
  117    H    ALA  14           H        ALA  14   3.618  -1.660   2.180
  118    HA   ALA  14           HA       ALA  14   5.609  -2.514   4.105
  119   1HB   ALA  14          1HB       ALA  14   5.423  -4.677   2.941
  120   2HB   ALA  14          2HB       ALA  14   3.818  -4.021   3.328
  121   3HB   ALA  14          3HB       ALA  14   4.437  -3.926   1.662
  122    H    SER  15           H        SER  15   5.494  -1.851   0.574
  123    HA   SER  15           HA       SER  15   8.263  -2.353   0.043
  124   1HB   SER  15          1HB       SER  15   6.322  -1.876  -1.614
  125   2HB   SER  15          2HB       SER  15   6.595  -0.160  -1.277
  126    HG   SER  15           HG       SER  15   8.828  -0.571  -1.934
  127    H    MET  16           H        MET  16   6.558   0.654   1.118
  128    HA   MET  16           HA       MET  16   9.026   2.202   1.183
  129   1HB   MET  16          1HB       MET  16   6.201   2.660   2.153
  130   2HB   MET  16          2HB       MET  16   7.505   3.759   2.620
  131   1HG   MET  16          1HG       MET  16   8.108   4.093   0.254
  132   2HG   MET  16          2HG       MET  16   6.747   3.101  -0.247
  133   1HE   MET  16          1HE       MET  16   4.323   3.953   1.559
  134   2HE   MET  16          2HE       MET  16   3.661   5.336   0.662
  135   3HE   MET  16          3HE       MET  16   4.227   3.900  -0.218
  136    H    ARG  17           H        ARG  17   8.038  -0.299   3.232
  137    HA   ARG  17           HA       ARG  17   9.822   0.689   5.390
  138   1HB   ARG  17          1HB       ARG  17   7.463   0.523   6.025
  139   2HB   ARG  17          2HB       ARG  17   7.376  -1.146   5.517
  140   1HG   ARG  17          1HG       ARG  17   9.460  -0.365   7.572
  141   2HG   ARG  17          2HG       ARG  17   7.770  -0.394   8.076
  142   1HD   ARG  17          1HD       ARG  17   7.595  -2.656   8.016
  143   2HD   ARG  17          2HD       ARG  17   8.561  -2.783   6.547
  144    HE   ARG  17           HE       ARG  17   9.937  -2.143   9.086
  145   1HH1  ARG  17          2HH2      ARG  17   9.391  -4.468   6.408
  146   2HH1  ARG  17          1HH2      ARG  17  10.825  -5.241   6.536
  147   1HH2  ARG  17          1HH1      ARG  17  11.925  -3.319   9.414
  148   2HH2  ARG  17          2HH1      ARG  17  12.232  -4.730   8.452
  149    H    GLU  18           H        GLU  18   9.833  -1.298   2.696
  150    HA   GLU  18           HA       GLU  18  11.627  -3.362   3.864
  151   1HB   GLU  18          1HB       GLU  18   9.922  -3.135   1.336
  152   2HB   GLU  18          2HB       GLU  18  11.212  -4.266   1.428
  153   1HG   GLU  18          1HG       GLU  18   8.504  -4.570   2.363
  154   2HG   GLU  18          2HG       GLU  18   9.748  -5.768   2.137
  155    H    LEU  19           H        LEU  19  11.252  -0.722   1.482
  156    HA   LEU  19           HA       LEU  19  13.578  -1.327   0.054
  157   1HB   LEU  19          1HB       LEU  19  11.897   1.176   0.356
  158   2HB   LEU  19          2HB       LEU  19  13.347   1.206  -0.638
  159    HG   LEU  19           HG       LEU  19  11.138  -0.841  -1.108
  160   1HD1  LEU  19          1HD1      LEU  19  11.503   1.894  -2.402
  161   2HD1  LEU  19          2HD1      LEU  19  10.352   0.653  -2.929
  162   3HD1  LEU  19          3HD1      LEU  19  10.172   1.413  -1.331
  163   1HD2  LEU  19          1HD2      LEU  19  13.390   0.199  -2.887
  164   2HD2  LEU  19          2HD2      LEU  19  13.319  -1.402  -2.127
  165   3HD2  LEU  19          3HD2      LEU  19  12.139  -0.969  -3.364
  166    H    GLY  20           H        GLY  20  15.674  -0.395  -0.032
  167   1HA   GLY  20          1HA       GLY  20  16.651   1.646   1.608
  168   2HA   GLY  20          2HA       GLY  20  17.143   0.044   2.221