*HEADER    VIRUS/VIRAL PROTEIN                     20-MAR-00   1EMZ              
*TITLE     SOLUTION STRUCTURE OF FRAGMENT (350-370) OF THE                       
*TITLE    2 TRANSMEMBRANE DOMAIN OF HEPATITIS C ENVELOPE GLYCOPROTEIN E1         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENVELOPE GLYCOPROTEIN E1;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: TRANSMEMBRANE DOMAIN (RESIDUES 350-370);                   
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.              
*SOURCE   4 THE SEQUENCE OF THIS PEPTIDE IS NATURALLY FOUND IN                   
*SOURCE   5 HEPATITIS C VIRUS.                                                   
*KEYWDS    PEPTIDE, TRANSMEMBRANE DOMAIN, ENVELOPE PROTEIN E1,                   
*KEYWDS   2 HEPATITIS C VIRUS                                                    
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    A.OP DE BEECK, R.MONTSERRET, S.DUVET, L.COCQUEREL, R.CACAN,           
*AUTHOR   2 B.BARBEROT, M.LE MAIRE, F.PENIN, J.DUBUISSON                         
*REVDAT   1   05-APR-00 1EMZ    0                                                
!
!g21k: GAHWGVLAGIAYFSMVGNWAK
!
! Gly 1
!
!
1 HA# 2 HN 3
!
! Ala 2
!
2 HN 2 HA 3
2 HN 2 HB# 3
2 HA 2 HB# 3
!
2 HA 3 HN 3
2 HB# 3 HN 1
2 HB# 4 HD1 1
!
! His 3
!
3 HN 3 HB1 1
3 HN 3 HB2 3
!
3 HN 4 HN 2
3 HB2 4 HN 1
!
! Trp 4
!
4 HN 4 HA 1
4 HN 4 HB1 3
4 HN 4 HB2 3
4 HN 4 HD1 2
4 HA 4 HB1 2
4 HA 4 HB2 2
4 HA 4 HE3 1
4 HB1 4 HD1 2
4 HB2 4 HD1 3
4 HB1 4 HE3 2
4 HB2 4 HE3 2
4 HD1 4 HE1 3
!
4 HN 5 HN 2
4 HA 5 HN 2
4 HB1 5 HN 1
4 HB2 5 HN 2
4 HD1 5 HA# 1
4 HE3 5 HA# 1
4 HA 7 HB# 1
4 HE3 8 HB# 1
4 HE3 10 HG2# 1
4 HE3 10 HD# 1
!
! Gly 5
!
5 HN 5 HA# 3
!
5 HN 6 HN 2
5 HN 7 HN 1
5 HA# 6 HN 3
5 HA# 8 HN 1
5 HA# 8 HB# 2
!
! Val 6
!
6 HN 6 HA 3
6 HN 6 HB 3
6 HN 6 HG* 3
6 HA 6 HB 3
6 HA 6 HG* 3
6 HB# 6 HG* 3
!
6 HA 7 HN 3
6 HB 7 HN 3
6 HG* 7 HN 2
6 HA 8 HN 2
6 HG* 9 HN 1
!
! Leu 7
!
7 HN 7 HA 3
7 HN 7 HB2 3
7 HN 7 HD2# 2
7 HA 7 HD1# 2
7 HA 7 HD2# 3
7 HB2 7 HD1# 2
7 HB2 7 HD23 2
!
7 HN 8 HN 3
7 HN 9 HN 2
7 HA 8 HN 2
7 HB1 8 HN 2
7 HB2 8 HN 2
7 HD1# 8 HN 1
7 HD2# 8 HN 1
7 HA 9 HN 1
7 HA 10 HN 2
7 HA 10 HB 3
!
! Ala 8
!
8 HN 8 HA 3
8 HN 8 HB# 3
8 HA 8 HB# 3
!
8 HA 9 HN 2
8 HB# 9 HN 3
8 HA 10 HN 2
8 HB# 11 HN 1
!
! Gly 9
!
9 HN 9 HA# 3
!
9 HN 11 HN 1
9 HA# 10 HN 3
9 HA# 11 HN 1
9 HA# 12 HN 1
9 HA# 12 HB1 2
9 HA# 12 HB2 2
9 HA# 12 HD* 1
9 HA# 13 HN 1
!
! Ile 10
!
10 HN 10 HA 3
10 HN 10 HB 3
10 HN 10 HG11 3
10 HN 10 HG12 2
10 HN 10 HG2# 2
10 HN 10 HD# 2
10 HA 10 HB 2
10 HA 10 HG11 2
10 HA 10 HG12 3
10 HA 10 HG2# 3
10 HA 10 HD# 2
10 HB 10 HG11 2
10 HB 10 HG12 1
10 HB 10 HG2# 3
10 HB 10 HD# 3
10 HG11 10 HG12 3
10 HG12 10 HG2# 2
10 HG12 10 HD# 3
!
10 HN 11 HN 3
10 HA 11 HN 2
10 HB 11 HN 3
10 HG11 11 HN 1
10 HG2# 11 HN 2
10 HD# 11 HN 1
10 HA 12 HN 1
10 HA 13 HN 2
10 HA 13 HB1 2
10 HA 13 HB2 2
10 HA 13 HD* 1
10 HA 13 HE* 1
10 HG2# 13 HD* 1
10 HG2# 14 HN 1
!
! Ala 11
!
11 HN 11 HA 3
11 HN 11 HB# 3
11 HA 11 HB# 3
!
11 HN 12 HN 3
11 HA 12 HN 2
11 HB# 12 HN 3
11 HA 13 HN 1
11 HA 15 HN 2
!
! Tyr 12
!
12 HN 12 HA 3
12 HN 12 HB1 3
12 HN 12 HB2 3
12 HA 12 HB1 3
12 HA 12 HB2 3
12 HA 12 HD* 3
12 HA 12 HE* 1
12 HB1 12 HD* 3
12 HB2 12 HD* 3
12 HB1 12 HE* 1
12 HB2 12 HE* 1
!
12 HN 13 HN 3
12 HN 14 HN 2
12 HA 13 HN 2
12 HB1 13 HN 2
12 HB2 13 HN 3
12 HA 15 HN 2
12 HA 15 HB1 1
12 HA 15 HB2 2
12 HA 16 HN 1
12 HD* 16 HG1# 1
12 HD* 16 HG2# 1
12 HE* 16 HG1# 1
12 HE* 16 HG2# 2
!
! Phe 13
!
13 HN 13 HA 3
13 HN 13 HB1 3
13 HN 13 HB2 3
13 HN 13 HD* 1
13 HA 13 HB1 3
13 HA 13 HB2 3
13 HA 13 HD* 2
13 HA 13 HE* 1
13 HB1 13 HD* 2
13 HB1 13 HE* 1
13 HB2 13 HD* 2
13 HB2 13 HE* 1
!
13 HN 14 HN 3
13 HN 15 HN 1
13 HB1 14 HN 2
13 HB2 14 HN 2
13 HA 16 HN 2
13 HA 16 HB 3
13 HA 16 HG1# 1
13 HA 16 HG2# 2
13 HD* 16 HG1# 1
13 HD* 16 HG2# 1
!
! Ser 14
!
14 HN 14 HA 3
14 HN 14 HB1 3
14 HN 14 HB2 3
14 HA 14 HB1 3
14 HA 14 HB2 3
!
14 HN 15 HN 3
14 HN 16 HN 1
14 HA 15 HN 2
14 HB1 15 HN 2
14 HB2 15 HN 1
14 HA 17 HN 2
14 HB1 18 HN 1
!
! Met 15
!
15 HN 15 HA 3
15 HN 15 HB1 3
15 HN 15 HB2 3
15 HN 15 HG1 2
15 HN 15 HG2 1
15 HA 15 HB1 2
15 HA 15 HB2 2
15 HA 15 HG1 1
15 HA 15 HG2 2
!
15 HN 16 HN 3
15 HA 16 HN 2
15 HB1 16 HN 2
15 HB2 16 HN 2
15 HA 17 HN 1
15 HA 18 HN 3
15 HA 18 HB# 2
15 HA 19 HN 1
!
! Val 16
!
16 HN 16 HA 3
16 HN 16 HB 3
16 HN 16 HG1# 2
16 HN 16 HG2# 3
16 HA 16 HB 2
16 HA 16 HG1# 3
16 HA 16 HG2# 3
16 HB 16 HG1# 3
16 HB 16 HG2# 3
16 HG1# 16 HG2# 3
!
16 HN 17 HN 3
16 HA 17 HN 3
16 HB 17 HN 2
16 HG1# 17 HN 1
16 HG2# 17 HN 2
16 HA 19 HN 2
16 HA 19 HB# 2
16 HA 19 HD1 1
16 HA 19 HE3 1
16 HG1# 19 HE3 1
16 HA 20 HN 1
!
! Gly 17
!
17 HN 17 HA1 3
17 HN 17 HA2 3
!
17 HN 18 HN 3
17 HA1 18 HN 2
17 HA2 18 HN 2
17 HA1 19 HN 1
17 HA2 19 HN 1
17 HA1 20 HN 1
17 HA2 20 HN 1
17 HA1 20 HB# 2
17 HA2 20 HB# 1
!
! Asn 18
!
18 HN 18 HA 2
18 HN 18 HB# 3
18 HA 18 HB# 3
18 HB# 18 HD21 3
18 HB# 18 HD22 2
18 HD21 18 HD22 3
!
18 HN 19 HN 3
18 HN 20 HN 1
18 HA 19 HN 1
18 HB# 19 HN 3
18 HB# 19 HD1 1
!
! Trp 19
!
19 HN 19 HA 2
19 HN 19 HB# 3
19 HN 19 HD1 2
19 HA 19 HB# 3
19 HA 19 HD1 2
19 HB# 19 HD1 3
19 HA 19 HE3 1
19 HB# 19 HE3 3
19 HD1 19 HE1 3
!
19 HN 20 HN 3
19 HN 21 HN 1
19 HA 20 HN 1
19 HB# 20 HN 3
19 HD1 20 HA 1
19 HD1 20 HB# 1
19 HE3 20 HA 1
19 HE3 20 HB# 1
19 HD1 21 HA 1
19 HD1 21 HB1 1
!
! Ala 20
!
20 HN 20 HA 3
20 HN 20 HB# 3
20 HA 20 HB# 3
!
20 HN 21 HN 3
20 HA 21 HN 2
20 HB# 21 HN 2
!
! Lys 21
!
21 HN 21 HA 3
21 HN 21 HB1 2
21 HN 21 HB2 3
21 HN 21 HG1 1
21 HN 21 HG2 1
21 HN 21 HD# 1
!
19 HN 20 HB# 1
18 HB# 19 HB# 1
10 HB 11 HB# 1
19 HB# 20 HA 1
6 HB 13 HB1 1
6 HB 13 HB2 1
6 HG1# 13 HB1 1
6 HG1# 13 HB2 1
6 HG2# 13 HB1 1
6 HG2# 13 HB2 1
11 HB# 12 HB1 1
11 HB# 12 HB2 1
4 HB1 8 HB# 1
4 HB2 8 HB# 1
19 HB# 20 HB# 1
16 HG1# 19 HB# 1
16 HG2# 19 HB# 1
13 HN 16 HG2# 1
11 HB# 13 HN 1
13 HN 16 HB 1
10 HB 13 HN 1
12 HB2 14 HN 1
12 HB1 14 HN 1
11 HN 12 HB2 1
11 HN 12 HB1 1
14 HN 15 HB1 1
10 HG12 11 HN 1
5 HN 6 HG* 1
5 HN 8 HB# 1
5 HN 6 HB 1
18 HB# 20 HN 1
16 HG1# 20 HN 1
10 HB 12 HN 1
10 HG2# 12 HN 1
10 HD# 12  HN 1
17 HA# 19 HN 1
18 HN 19 HB# 1
6 HN 13 HB1 1
6 HN 13 HB2 1
17 HN 18 HB# 1
15 HG1 16 HN 1
15 HG2 16 HN 1
9 HN 10 HB 1
9 HN 10 HG11 1
9 HN 10 HG12 1
15 HN 16 HB 1
10 HN 11 HB# 1
4 HN 7 HG 1
9 HN 11 HB# 1
8 HN 11 HB# 1
17 HN 20 HB# 1
8 HB# 10 HN 1
2 HB3 4 HN 1
9 HN 10 HG2# 1
9 HN 10 HD# 1
15 HN 16 HG1# 1
15 HN 16 HG2# 1
19 HE3 16 HG2# 1
4 HE3 10 HG11 1
13 HD* 16 HB 1
10 HB 13 HD* 1
4 HD1 8 HB# 1
4 HA 4 HD1 1
!

  Entry H atom name         Submitted Coord H atom name
    1   1H    GLY   1           HT1      GLY   1  18.074   5.477   3.085
    2   2H    GLY   1           HT2      GLY   1  17.022   4.965   1.852
    3   3H    GLY   1           HT3      GLY   1  17.373   3.937   3.160
    4   1HA   GLY   1           HA2      GLY   1  16.347   5.653   4.655
    5   2HA   GLY   1           HA1      GLY   1  15.769   6.434   3.183
    6    H    ALA   2           HN       ALA   2  13.785   5.785   2.481
    7    HA   ALA   2           HA       ALA   2  12.437   3.500   3.746
    8   1HB   ALA   2           HB1      ALA   2  10.492   4.358   2.578
    9   2HB   ALA   2           HB2      ALA   2  11.505   5.354   1.536
   10   3HB   ALA   2           HB3      ALA   2  11.377   5.725   3.256
   11    H    HIS   3           HN       HIS   3  12.412   1.467   2.890
   12    HA   HIS   3           HA       HIS   3  13.591   0.912   0.253
   13   1HB   HIS   3           HB2      HIS   3  13.912  -0.375   2.456
   14   2HB   HIS   3           HB1      HIS   3  12.299  -1.019   2.189
   15    HD1  HIS   3           HD1      HIS   3  14.349  -3.117   2.222
   16    HD2  HIS   3           HD2      HIS   3  13.583  -0.983  -1.278
   17    HE1  HIS   3           HE1      HIS   3  15.189  -4.547   0.314
   18    H    TRP   4           HN       TRP   4  11.669   2.263  -0.719
   19    HA   TRP   4           HA       TRP   4   8.990   1.399  -0.836
   20   1HB   TRP   4           HB2      TRP   4  10.854   2.835  -2.706
   21   2HB   TRP   4           HB1      TRP   4   9.142   2.653  -3.007
   22    HD1  TRP   4           HD1      TRP   4  11.161   5.117  -2.045
   23    HE1  TRP   4           HE1      TRP   4  10.175   6.731  -0.226
   24    HE3  TRP   4           HE3      TRP   4   7.413   2.174  -0.267
   25    HZ2  TRP   4           HZ2      TRP   4   8.047   6.701   1.720
   26    HZ3  TRP   4           HZ3      TRP   4   5.926   2.964   1.552
   27    HH2  TRP   4           HH2      TRP   4   6.238   5.211   2.542
   28    H    GLY   5           HN       GLY   5  11.851   0.251  -2.596
   29   1HA   GLY   5           HA2      GLY   5  10.577  -0.928  -4.765
   30   2HA   GLY   5           HA1      GLY   5  12.089  -1.523  -4.049
   31    H    VAL   6           HN       VAL   6  10.978  -2.119  -1.449
   32    HA   VAL   6           HA       VAL   6   9.404  -4.571  -2.029
   33    HB   VAL   6           HB       VAL   6  11.186  -3.748   0.260
   34   1HG1  VAL   6          HG11      VAL   6   9.682  -6.330  -0.247
   35   2HG1  VAL   6          HG12      VAL   6   9.566  -5.279   1.164
   36   3HG1  VAL   6          HG13      VAL   6  11.034  -6.211   0.878
   37   1HG2  VAL   6          HG21      VAL   6  11.569  -5.719  -2.016
   38   2HG2  VAL   6          HG22      VAL   6  12.658  -5.579  -0.636
   39   3HG2  VAL   6          HG23      VAL   6  12.468  -4.226  -1.749
   40    H    LEU   7           HN       LEU   7   9.091  -1.534  -0.621
   41    HA   LEU   7           HA       LEU   7   6.776  -2.278   1.093
   42   1HB   LEU   7           HB2      LEU   7   8.394   0.274   0.950
   43   2HB   LEU   7           HB1      LEU   7   7.134  -0.080   2.120
   44    HG   LEU   7           HG       LEU   7   9.709  -1.657   1.814
   45   1HD1  LEU   7          HD11      LEU   7  10.437  -0.562   3.855
   46   2HD1  LEU   7          HD12      LEU   7   8.918   0.328   3.960
   47   3HD1  LEU   7          HD13      LEU   7  10.047   0.660   2.646
   48   1HD2  LEU   7          HD21      LEU   7   7.751  -2.920   2.766
   49   2HD2  LEU   7          HD22      LEU   7   7.652  -1.709   4.046
   50   3HD2  LEU   7          HD23      LEU   7   9.083  -2.727   3.905
   51    H    ALA   8           HN       ALA   8   7.309  -1.146  -2.054
   52    HA   ALA   8           HA       ALA   8   5.422   0.968  -2.360
   53   1HB   ALA   8           HB1      ALA   8   6.812   0.630  -4.206
   54   2HB   ALA   8           HB2      ALA   8   5.334  -0.150  -4.765
   55   3HB   ALA   8           HB3      ALA   8   6.659  -1.125  -4.130
   56    H    GLY   9           HN       GLY   9   5.058  -2.529  -2.115
   57   1HA   GLY   9           HA2      GLY   9   2.336  -2.733  -3.039
   58   2HA   GLY   9           HA1      GLY   9   3.179  -3.926  -2.039
   59    H    ILE  10           HN       ILE  10   3.863  -2.121   0.104
   60    HA   ILE  10           HA       ILE  10   1.601  -2.321   1.827
   61    HB   ILE  10           HB       ILE  10   4.188  -0.745   1.855
   62   1HG1  ILE  10          HG12      ILE  10   3.225  -3.133   3.458
   63   2HG1  ILE  10          HG11      ILE  10   4.287  -3.203   2.045
   64   1HG2  ILE  10          HG21      ILE  10   1.987  -0.711   3.895
   65   2HG2  ILE  10          HG22      ILE  10   2.932   0.629   3.242
   66   3HG2  ILE  10          HG23      ILE  10   3.674  -0.497   4.374
   67   1HD1  ILE  10          HD11      ILE  10   4.869  -2.195   4.803
   68   2HD1  ILE  10          HD12      ILE  10   5.730  -1.486   3.436
   69   3HD1  ILE  10          HD13      ILE  10   5.848  -3.219   3.752
   70    H    ALA  11           HN       ALA  11   3.003   0.521   0.139
   71    HA   ALA  11           HA       ALA  11   1.018   2.433   0.918
   72   1HB   ALA  11           HB1      ALA  11   3.078   3.211   0.004
   73   2HB   ALA  11           HB2      ALA  11   1.874   3.574  -1.233
   74   3HB   ALA  11           HB3      ALA  11   2.928   2.175  -1.416
   75    H    TYR  12           HN       TYR  12   1.213   0.192  -1.840
   76    HA   TYR  12           HA       TYR  12  -1.098   1.077  -3.297
   77   1HB   TYR  12           HB2      TYR  12   0.902  -0.761  -3.646
   78   2HB   TYR  12           HB1      TYR  12  -0.449  -1.817  -3.273
   79    HD1  TYR  12           HD1      TYR  12   0.866   0.657  -5.671
   80    HD2  TYR  12           HD2      TYR  12  -2.417  -1.934  -4.687
   81    HE1  TYR  12           HE1      TYR  12  -0.046   0.944  -7.957
   82    HE2  TYR  12           HE2      TYR  12  -3.329  -1.646  -6.976
   83    HH   TYR  12           HH       TYR  12  -1.877  -0.855  -9.447
   84    H    PHE  13           HN       PHE  13  -0.658  -1.614  -1.008
   85    HA   PHE  13           HA       PHE  13  -3.387  -2.434  -0.838
   86   1HB   PHE  13           HB2      PHE  13  -1.090  -3.476   0.033
   87   2HB   PHE  13           HB1      PHE  13  -1.578  -2.687   1.535
   88    HD1  PHE  13           HD1      PHE  13  -2.234  -5.428  -0.764
   89    HD2  PHE  13           HD2      PHE  13  -3.816  -3.208   2.556
   90    HE1  PHE  13           HE1      PHE  13  -3.863  -7.245  -0.323
   91    HE2  PHE  13           HE2      PHE  13  -5.442  -5.022   2.996
   92    HZ   PHE  13           HZ       PHE  13  -5.468  -7.042   1.558
   93    H    SER  14           HN       SER  14  -1.579   0.021   1.035
   94    HA   SER  14           HA       SER  14  -3.502   0.567   3.061
   95   1HB   SER  14           HB2      SER  14  -1.050   1.502   2.523
   96   2HB   SER  14           HB1      SER  14  -1.981   2.794   1.771
   97    HG   SER  14           HG       SER  14  -1.545   3.172   4.011
   98    H    MET  15           HN       MET  15  -3.183   1.880  -0.255
   99    HA   MET  15           HA       MET  15  -5.454   3.665  -0.072
  100   1HB   MET  15           HB2      MET  15  -3.373   3.092  -1.896
  101   2HB   MET  15           HB1      MET  15  -4.852   2.675  -2.756
  102   1HG   MET  15           HG2      MET  15  -5.647   4.847  -2.731
  103   2HG   MET  15           HG1      MET  15  -4.770   5.268  -1.258
  104   1HE   MET  15           HE1      MET  15  -5.185   6.746  -4.037
  105   2HE   MET  15           HE2      MET  15  -3.630   7.457  -4.452
  106   3HE   MET  15           HE3      MET  15  -4.248   7.625  -2.814
  107    H    VAL  16           HN       VAL  16  -5.038   0.280  -1.171
  108    HA   VAL  16           HA       VAL  16  -7.734  -0.034  -2.092
  109    HB   VAL  16           HB       VAL  16  -5.858  -2.153  -0.997
  110   1HG1  VAL  16          HG11      VAL  16  -8.141  -2.397  -2.981
  111   2HG1  VAL  16          HG12      VAL  16  -8.224  -2.875  -1.286
  112   3HG1  VAL  16          HG13      VAL  16  -7.129  -3.710  -2.384
  113   1HG2  VAL  16          HG21      VAL  16  -4.575  -1.836  -2.823
  114   2HG2  VAL  16          HG22      VAL  16  -5.619  -0.522  -3.357
  115   3HG2  VAL  16          HG23      VAL  16  -5.962  -2.178  -3.853
  116    H    GLY  17           HN       GLY  17  -6.273  -0.181   0.994
  117   1HA   GLY  17           HA2      GLY  17  -8.402  -1.404   2.501
  118   2HA   GLY  17           HA1      GLY  17  -7.113  -0.397   3.184
  119    H    ASN  18           HN       ASN  18  -7.471   1.975   1.725
  120    HA   ASN  18           HA       ASN  18  -9.690   3.222   3.132
  121   1HB   ASN  18           HB2      ASN  18  -7.561   3.989   1.159
  122   2HB   ASN  18           HB1      ASN  18  -8.933   5.077   1.348
  123   1HD2  ASN  18          HD21      ASN  18  -8.537   6.668   2.891
  124   2HD2  ASN  18          HD22      ASN  18  -7.570   6.456   4.283
  125    H    TRP  19           HN       TRP  19  -9.068   2.212  -0.216
  126    HA   TRP  19           HA       TRP  19 -11.366   3.147  -1.546
  127   1HB   TRP  19           HB2      TRP  19  -9.304   2.409  -2.611
  128   2HB   TRP  19           HB1      TRP  19  -9.507   0.790  -1.955
  129    HD1  TRP  19           HD1      TRP  19 -12.469   2.604  -3.202
  130    HE1  TRP  19           HE1      TRP  19 -13.362   1.520  -5.407
  131    HE3  TRP  19           HE3      TRP  19  -8.675  -0.613  -4.115
  132    HZ2  TRP  19           HZ2      TRP  19 -12.499  -0.488  -7.290
  133    HZ3  TRP  19           HZ3      TRP  19  -8.702  -2.105  -6.092
  134    HH2  TRP  19           HH2      TRP  19 -10.605  -2.047  -7.677
  135    H    ALA  20           HN       ALA  20 -10.693  -0.080  -0.106
  136    HA   ALA  20           HA       ALA  20 -12.997  -1.475  -0.768
  137   1HB   ALA  20           HB1      ALA  20 -11.095  -2.454   0.356
  138   2HB   ALA  20           HB2      ALA  20 -12.528  -2.738   1.347
  139   3HB   ALA  20           HB3      ALA  20 -11.382  -1.471   1.792
  140    H    LYS  21           HN       LYS  21 -12.605   0.230   2.350
  141    HA   LYS  21           HA       LYS  21 -14.051   1.325   3.755
  142   1HB   LYS  21           HB2      LYS  21 -14.365   2.640   1.740
  143   2HB   LYS  21           HB1      LYS  21 -15.658   1.576   1.210
  144   1HG   LYS  21           HG2      LYS  21 -16.621   3.567   2.220
  145   2HG   LYS  21           HG1      LYS  21 -16.944   2.187   3.265
  146   1HD   LYS  21           HD2      LYS  21 -14.952   2.811   4.638
  147   2HD   LYS  21           HD1      LYS  21 -14.759   4.258   3.649
  148   1HE   LYS  21           HE2      LYS  21 -17.446   3.745   4.877
  149   2HE   LYS  21           HE1      LYS  21 -16.145   4.344   5.920
  150   1HZ   LYS  21           HZ1      LYS  21 -16.799   5.578   3.298
  151   2HZ   LYS  21           HZ2      LYS  21 -15.784   6.192   4.516
  152   3HZ   LYS  21           HZ3      LYS  21 -17.463   6.113   4.761