*HEADER    CELL CYCLE                              23-FEB-00   1EI0              
*TITLE     NMR STRUCTURE OF THE ALPHA-HELICAL HAIRPIN OF P8MTCP1                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: P8MTCP1;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ALPHA-HELICAL HAIRPIN MOTIF OF P8MTCP1;                    
*COMPND   5 SYNONYM: MATURE T-CELL PROLIFERATION-1 TYPE A;                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE IS FOUND NATURALLY IN HOMO               
*SOURCE   4 SAPIENS (HUMANS).                                                    
*KEYWDS    HELIX-TURN-HELIX, DISULFIDE BRIDGES                                   
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    P.BARTHE, S.ROCHETTE, C.VITA, C.ROUMESTAND                            
*REVDAT   1   23-FEB-01 1EI0    0                                                
  1 ASP  
         HA      2 PRO  QD      3.80
         QB      2 PRO  QG      6.80
         QB      2 PRO  QD      5.60
         QB      4 GLN  HB2     5.80
  2 PRO  
         HA     38 TYR  HN      4.80
         QB     38 TYR  CG      8.20
         QG     38 TYR  CG      8.20
  3 CYS  
         HN      3 CYS  HB2     3.60
         HN      4 GLN  HN      2.80
         HA      3 CYS  HB3     2.80
         HA      4 GLN  HN      3.60
         HA      6 GLN  HN      3.60
         HA      6 GLN  HB2     3.60
         HA      6 GLN  HB3     5.50
         HA      6 GLN  QG      5.50
         CB     34 CYS  CB      4.50
         CB     34 CYS  SG      3.10
         HB2    31 LEU  QQD     6.00
         HB3     6 GLN  HA      5.50
         HB3     6 GLN  HB2     3.60
         HB3     6 GLN  HB3     4.80
         HB3     6 GLN  QG      4.60
         HB3     6 GLN  QE2     4.60
         HB3     7 ALA  HN      4.80
         HB3    31 LEU  QQD     5.20
         SG     34 CYS  CB      3.10
         SG     34 CYS  SG      2.10
  4 GLN  
         HN      5 LYS  HN      2.80
         HN      6 GLN  HN      4.80
         HA      7 ALA  HN      3.60
         HA      7 ALA  QB      4.60
         HA      8 ALA  HN      4.80
         HB2     5 LYS  HN      4.80
         HB3     5 LYS  HN      3.60
         QG      7 ALA  HN      5.80
  5 LYS  
         HN      6 GLN  HN      2.80
         HA      6 GLN  HN      3.60
         HA      8 ALA  HN      3.60
         HA      8 ALA  QB      4.60
         QB      6 GLN  HN      4.60
         QD      6 GLN  HN      5.80
  6 GLN  
         HN      6 GLN  HB2     2.80
         HN      7 ALA  HN      2.80
         HN      8 ALA  HN      4.80
         HN     31 LEU  QQD     7.20
         HA      7 ALA  HN      3.60
         HA      8 ALA  HN      4.80
         HA      9 GLU  HN      3.60
         HA      9 GLU  HB2     3.60
         HA     10 ILE  HN      4.80
         HB2     7 ALA  HN      2.80
         HB2    10 ILE  QD1     4.60
         HB2    31 LEU  HA      3.60
         HB2    31 LEU  HB2     4.80
         HB3     7 ALA  HN      3.60
         HB3    31 LEU  HA      3.60
         QG     10 ILE  QD1     6.80
         QG     31 LEU  HN      5.80
         QG     31 LEU  HA      5.80
         QG     31 LEU  HB2     5.80
         QG     34 CYS  HB2     5.80
  7 ALA  
         HN      8 ALA  HN      2.80
         HN      9 GLU  HN      4.80
         HN     31 LEU  QQD     6.00
         HA      8 ALA  HN      3.60
         HA     10 ILE  HN      3.60
         HA     10 ILE  HB      3.60
         HA     10 ILE  QG1     5.80
         QB     31 LEU  QQD     8.20
  8 ALA  
         HN      9 GLU  HN      2.80
         HN     10 ILE  HN      4.80
         HA      9 GLU  HN      3.60
         HA     11 GLN  QB      4.60
         HA     11 GLN  QG      5.80
  9 GLU  
         HN      9 GLU  QG      4.60
         HN     10 ILE  HN      2.80
         HN     11 GLN  HN      4.80
         HA     10 ILE  HN      3.60
         HA     12 LYS  HN      3.60
         HA     12 LYS  QB      4.60
         HA     13 CYS  HN      4.80
         HB2    10 ILE  HN      3.60
         HB2    27 VAL  QQG     7.20
 10 ILE  
         HN     11 GLN  HN      2.80
         HN     27 VAL  QQG     7.20
         HA     10 ILE  QG1     3.80
         HA     10 ILE  QD1     4.60
         HA     11 GLN  HN      3.60
         HA     13 CYS  HN      3.60
         HA     13 CYS  HB2     4.80
         HA     13 CYS  HB3     3.60
         HA     14 LEU  HN      4.80
         HA     27 VAL  HB      5.80
         HA     27 VAL  QG2     4.60
         HB     11 GLN  HN      3.60
         QG1    11 GLN  HN      5.80
         QG1    13 CYS  HB3     5.80
         QG1    28 ILE  HA      4.60
         QG1    31 LEU  HN      5.80
 11 GLN  
         HN     12 LYS  HN      2.80
         HN     13 CYS  HN      4.80
         HA     12 LYS  HN      3.60
         HA     14 LEU  HN      3.60
         HA     14 LEU  QB      4.60
         HA     14 LEU  QQD     7.20
 12 LYS  
         HN     13 CYS  HN      2.80
         HN     14 LEU  HN      4.80
         HA     13 CYS  HN      3.60
         HA     15 GLN  HN      4.80
         HA     15 GLN  QB      5.80
         QB     13 CYS  HN      4.60
         QB     13 CYS  HB2     5.80
 13 CYS  
         HN     13 CYS  HB2     3.60
         HN     13 CYS  HB3     3.60
         HN     14 LEU  HN      2.80
         HN     27 VAL  QQG     7.20
         HA     13 CYS  HB2     2.80
         HA     14 LEU  HN      3.60
         HA     16 ALA  QB      4.60
         HA     17 ASN  QD2     5.80
         HA     27 VAL  QQG     7.20
         CB     24 CYS  CB      4.50
         CB     24 CYS  SG      3.10
         HB2    14 LEU  HN      4.80
         HB2    27 VAL  QG1     5.80
         HB2    27 VAL  QG2     4.60
         HB3    14 LEU  HN      3.60
         HB3    24 CYS  HA      4.80
         HB3    24 CYS  HB2     5.50
         HB3    27 VAL  QG1     5.80
         HB3    27 VAL  QG2     4.60
         SG     24 CYS  CB      3.10
         SG     24 CYS  SG      2.10
 14 LEU  
         HN     15 GLN  HN      2.80
         HA     14 LEU  HG      2.80
         HA     15 GLN  HN      3.60
         HA     17 ASN  HN      3.60
         HA     17 ASN  HB2     3.60
         HA     17 ASN  HB3     4.80
         HA     17 ASN  QD2     5.80
         HA     19 TYR  HN      3.60
         HA     19 TYR  HA      3.60
         QB     15 GLN  HN      4.60
         QB     19 TYR  CG      8.20
         HG     15 GLN  HN      4.80
         HG     19 TYR  HN      3.60
         HG     19 TYR  HA      2.80
         HG     19 TYR  QB      5.80
         HG     19 TYR  CG      7.20
         HG     20 LEU  HN      3.60
         HG     21 GLU  HN      3.60
         HG     21 GLU  QB      5.80
         HG     21 GLU  QG      5.80
         HG     24 CYS  HB2     3.60
         HG     24 CYS  HB3     4.80
         QQD    15 GLN  HN      6.00
         QQD    19 TYR  HN      7.20
         QQD    19 TYR  HA      6.00
         QQD    19 TYR  CG      8.40
 15 GLN  
         HN     15 GLN  QG      5.80
         HN     16 ALA  HN      2.80
         HN     17 ASN  HN      4.80
         HA     16 ALA  HN      3.60
         HA     17 ASN  HN      4.80
         HA     19 TYR  HN      3.60
         HA     19 TYR  CZ      6.00
 16 ALA  
         HA     17 ASN  HN      3.60
         HA     17 ASN  HA      5.50
         QB     17 ASN  QD2     5.60
 17 ASN  
         HN     17 ASN  HB2     3.60
         HN     17 ASN  HB3     3.60
         HN     18 SER  HN      2.80
         HN     19 TYR  HN      4.80
         HA     17 ASN  HB3     2.80
         HA     18 SER  HN      3.60
         HA     18 SER  QB      6.50
         HA     23 LYS  QB      5.80
         HA     23 LYS  QG      5.80
         HA     23 LYS  QD      5.80
         HB3    23 LYS  HA      5.50
         HB3    23 LYS  QB      4.60
         QD2    23 LYS  QB      6.80
         QD2    23 LYS  QD      6.80
 18 SER  
         HN     18 SER  HA      2.80
         HN     19 TYR  HN      2.80
         HA     19 TYR  HN      3.60
         HA     19 TYR  CG      7.20
 19 TYR  
         HN     19 TYR  HA      2.80
         HN     20 LEU  HN      2.80
         HA     20 LEU  HN      3.60
 20 LEU  
         HN     21 GLU  HN      4.80
         HA     21 GLU  HN      2.80
         QB     21 GLU  HN      4.60
         HG     21 GLU  HN      4.80
 21 GLU  
         HN     21 GLU  QG      4.60
         HA     24 CYS  HB2     4.80
         HA     28 ILE  QD1     5.80
         QG     28 ILE  QD1     5.60
 22 SER  
         HA     25 GLN  QB      5.80
 23 LYS  
         HA     24 CYS  HA      5.50
 24 CYS  
         HA     24 CYS  HB3     2.80
         HA     25 GLN  HN      3.60
         HA     25 GLN  HA      5.50
         HA     27 VAL  HN      4.80
         HA     27 VAL  HB      4.80
         HA     27 VAL  QG1     5.80
         HA     27 VAL  QG2     4.60
         HA     28 ILE  QD1     6.50
         HB2    25 GLN  HN      4.80
         HB2    27 VAL  QQG     7.20
         HB2    28 ILE  QD1     4.60
         HB3    28 ILE  HN      4.80
         HB3    28 ILE  QD1     5.80
 25 GLN  
         HN     26 ALA  HN      3.60
         HN     28 ILE  QD1     5.80
         HA     26 ALA  HN      3.60
         HA     28 ILE  HN      3.60
         HA     28 ILE  HB      3.60
         HA     28 ILE  QG2     5.80
         HA     28 ILE  QD1     4.60
         QG     28 ILE  QG1     6.80
         QE2    28 ILE  QD1     5.60
 26 ALA  
         HN     27 VAL  HN      3.60
         HA     27 VAL  HN      3.60
         HA     29 GLN  HN      3.60
         HA     29 GLN  QB      4.60
 27 VAL  
         HN     27 VAL  HB      3.60
         HN     27 VAL  QG2     4.60
         HN     28 ILE  HN      2.80
         HN     29 GLN  HN      4.80
         HA     28 ILE  HN      3.60
         HA     30 GLU  QB      4.60
         HB     28 ILE  HN      3.60
         QQG    28 ILE  HN      6.00
         QQG    29 GLN  HN      7.20
 28 ILE  
         HN     29 GLN  HN      2.80
         HN     30 GLU  HN      4.80
         HA     29 GLN  HN      3.60
         HA     31 LEU  HN      3.60
         HA     31 LEU  HB2     4.80
         HA     31 LEU  HB3     3.60
         HA     32 LYS  HN      3.60
         HB     29 GLN  HN      3.60
         QG2    29 GLN  HN      4.60
         QG2    29 GLN  HA      5.80
         QG2    32 LYS  QD      6.80
         QG2    32 LYS  QE      6.80
         QD1    29 GLN  HN      5.80
 29 GLN  
         HN     29 GLN  HB2     2.80
         HN     29 GLN  HB3     3.60
         HN     29 GLN  QG      4.60
         HN     30 GLU  HN      2.80
         HB3    30 GLU  HN      3.60
 30 GLU  
         HN     31 LEU  HN      2.80
         HA     33 LYS  HN      3.60
         HA     33 LYS  QB      4.60
 31 LEU  
         HN     33 LYS  HN      4.80
         HA     34 CYS  HB2     2.80
         HA     34 CYS  HB3     3.60
         HB3    32 LYS  HN      3.60
         QQD    35 ALA  HN      7.20
 32 LYS  
         HN     33 LYS  HN      2.80
         HA     35 ALA  HN      4.80
         HA     35 ALA  QB      4.60
 33 LYS  
         HN     34 CYS  HN      2.80
         HN     34 CYS  HB2     4.80
         HN     35 ALA  HN      4.80
         HA     36 ALA  QB      4.60
         QB     34 CYS  HN      4.60
 34 CYS  
         HN     35 ALA  HN      2.80
         HA     35 ALA  HN      3.60
         HA     37 GLN  HN      3.60
         HA     37 GLN  HB2     3.60
         HB2    35 ALA  HN      3.60
         HB3    35 ALA  HN      3.60
 35 ALA  
         HN     35 ALA  HA      2.80
         HN     36 ALA  HN      2.80
         HN     37 GLN  HN      4.80
         HA     38 TYR  HN      3.60
         HA     38 TYR  HB2     4.80
         HA     38 TYR  CG      7.20
 36 ALA  
         HN     37 GLN  HN      2.80
         HA     37 GLN  HN      3.60
 37 GLN  
         HN     38 TYR  HN      2.80
         HA     38 TYR  HN      3.60
         HB2    38 TYR  HN      4.80
         HB2    38 TYR  CG      6.00
         HB3    38 TYR  HN      3.60
         QE2    38 TYR  HN      5.80
         QE2    38 TYR  HA      6.50
         QE2    38 TYR  HB2     6.50
 38 TYR  
         HN     38 TYR  HB2     3.60
         HA     38 TYR  HB3     2.80

  Entry H atom name         Submitted Coord H atom name
    1    H    ASP   1           H        ASP   1   5.952  13.416   1.748
    2    HA   ASP   1           HA       ASP   1   5.904  14.456  -0.740
    3   1HB   ASP   1          1HB       ASP   1   6.508  12.732  -2.248
    4   2HB   ASP   1          2HB       ASP   1   7.828  12.864  -1.124
    5    HA   PRO   2           HA       PRO   2   1.636  13.076  -0.400
    6   1HB   PRO   2          1HB       PRO   2   1.876  11.308  -2.832
    7   2HB   PRO   2          2HB       PRO   2   0.628  12.504  -2.396
    8   1HG   PRO   2          1HG       PRO   2   2.552  13.116  -4.188
    9   2HG   PRO   2          2HG       PRO   2   2.092  14.320  -2.940
   10   1HD   PRO   2          1HD       PRO   2   4.428  12.396  -2.936
   11   2HD   PRO   2          2HD       PRO   2   4.420  14.148  -2.556
   12    H    CYS   3           HN       CYS   3   2.764   9.964  -1.780
   13    HA   CYS   3           HA       CYS   3   2.088   8.600   0.776
   14   1HB   CYS   3          1HB       CYS   3   0.772   7.856  -1.820
   15   2HB   CYS   3          2HB       CYS   3   0.360   7.384  -0.160
   16    H    GLN   4           H        GLN   4   4.668   8.804  -0.892
   17    HA   GLN   4           HA       GLN   4   5.000   6.352  -2.296
   18   1HB   GLN   4          1HB       GLN   4   6.480   8.376  -2.412
   19   2HB   GLN   4          2HB       GLN   4   7.152   7.908  -0.828
   20   1HG   GLN   4          1HG       GLN   4   7.908   5.752  -1.816
   21   2HG   GLN   4          2HG       GLN   4   7.212   6.220  -3.368
   22   1HE2  GLN   4          1HE2      GLN   4  10.176   8.864  -2.796
   23   2HE2  GLN   4          2HE2      GLN   4   8.648   9.088  -1.956
   24    H    LYS   5           H        LYS   5   5.300   7.088   1.184
   25    HA   LYS   5           HA       LYS   5   6.392   4.568   2.020
   26   1HB   LYS   5          1HB       LYS   5   4.828   6.792   3.320
   27   2HB   LYS   5          2HB       LYS   5   4.732   5.220   4.096
   28   1HG   LYS   5          1HG       LYS   5   6.728   5.440   5.044
   29   2HG   LYS   5          2HG       LYS   5   7.504   5.624   3.484
   30   1HD   LYS   5          1HD       LYS   5   8.100   7.536   4.652
   31   2HD   LYS   5          2HD       LYS   5   6.836   8.080   3.532
   32   1HE   LYS   5          1HE       LYS   5   5.980   7.184   6.276
   33   2HE   LYS   5          2HE       LYS   5   6.920   8.680   6.192
   34   1HZ   LYS   5          1HZ       LYS   5   5.328   9.560   4.668
   35   2HZ   LYS   5          2HZ       LYS   5   4.436   8.176   4.712
   36   3HZ   LYS   5          3HZ       LYS   5   4.584   9.104   6.060
   37    H    GLN   6           H        GLN   6   2.964   5.628   1.700
   38    HA   GLN   6           HA       GLN   6   1.880   3.080   2.308
   39   1HB   GLN   6          1HB       GLN   6   0.712   5.208   0.452
   40   2HB   GLN   6          2HB       GLN   6  -0.100   3.752   1.000
   41   1HG   GLN   6          1HG       GLN   6  -0.936   5.280   2.440
   42   2HG   GLN   6          2HG       GLN   6   0.328   4.532   3.412
   43   1HE2  GLN   6          1HE2      GLN   6   0.276   8.356   3.596
   44   2HE2  GLN   6          2HE2      GLN   6  -0.944   7.088   3.848
   45    H    ALA   7           H        ALA   7   2.908   4.432  -0.872
   46    HA   ALA   7           HA       ALA   7   2.100   2.168  -2.412
   47   1HB   ALA   7          1HB       ALA   7   2.776   4.332  -3.400
   48   2HB   ALA   7          2HB       ALA   7   4.464   4.028  -2.920
   49   3HB   ALA   7          3HB       ALA   7   3.672   2.972  -4.108
   50    H    ALA   8           H        ALA   8   5.236   2.848  -0.800
   51    HA   ALA   8           HA       ALA   8   6.508   0.396  -1.492
   52   1HB   ALA   8          1HB       ALA   8   7.720   2.372  -0.648
   53   2HB   ALA   8          2HB       ALA   8   6.944   2.188   0.940
   54   3HB   ALA   8          3HB       ALA   8   8.056   0.940   0.344
   55    H    GLU   9           H        GLU   9   4.584   1.280   1.432
   56    HA   GLU   9           HA       GLU   9   4.836  -1.300   2.656
   57   1HB   GLU   9          1HB       GLU   9   2.900   0.996   3.088
   58   2HB   GLU   9          2HB       GLU   9   2.856  -0.500   4.028
   59   1HG   GLU   9          1HG       GLU   9   5.184  -0.172   4.756
   60   2HG   GLU   9          2HG       GLU   9   5.304   1.308   3.816
   61    H    ILE  10           H        ILE  10   2.488  -0.024   0.300
   62    HA   ILE  10           HA       ILE  10   0.684  -2.232   0.368
   63    HB   ILE  10           HB       ILE  10   1.304  -0.100  -1.656
   64   1HG1  ILE  10          1HG1      ILE  10  -1.268  -0.876  -0.216
   65   2HG1  ILE  10          2HG1      ILE  10  -0.032   0.080   0.596
   66   1HG2  ILE  10          1HG2      ILE  10   0.720  -2.056  -3.048
   67   2HG2  ILE  10          2HG2      ILE  10  -0.688  -2.396  -2.016
   68   3HG2  ILE  10          3HG2      ILE  10  -0.624  -0.924  -3.008
   69   1HD1  ILE  10          1HD1      ILE  10  -0.184   1.836  -1.064
   70   2HD1  ILE  10          2HD1      ILE  10  -1.440   0.896  -1.928
   71   3HD1  ILE  10          3HD1      ILE  10  -1.724   1.484  -0.276
   72    H    GLN  11           H        GLN  11   3.616  -1.536  -1.644
   73    HA   GLN  11           HA       GLN  11   3.740  -4.048  -2.988
   74   1HB   GLN  11          1HB       GLN  11   5.876  -2.044  -2.172
   75   2HB   GLN  11          2HB       GLN  11   6.328  -3.584  -2.872
   76   1HG   GLN  11          1HG       GLN  11   4.516  -1.544  -4.212
   77   2HG   GLN  11          2HG       GLN  11   6.252  -1.716  -4.480
   78   1HE2  GLN  11          1HE2      GLN  11   4.848  -3.568  -7.276
   79   2HE2  GLN  11          2HE2      GLN  11   5.072  -1.892  -6.788
   80    H    LYS  12           H        LYS  12   5.240  -3.040   0.100
   81    HA   LYS  12           HA       LYS  12   6.496  -5.456   0.772
   82   1HB   LYS  12          1HB       LYS  12   6.216  -2.940   1.896
   83   2HB   LYS  12          2HB       LYS  12   5.304  -3.904   3.036
   84   1HG   LYS  12          1HG       LYS  12   7.284  -5.300   3.452
   85   2HG   LYS  12          2HG       LYS  12   8.168  -4.460   2.152
   86   1HD   LYS  12          1HD       LYS  12   8.028  -2.324   3.352
   87   2HD   LYS  12          2HD       LYS  12   7.000  -3.048   4.596
   88   1HE   LYS  12          1HE       LYS  12   9.260  -2.800   5.432
   89   2HE   LYS  12          2HE       LYS  12   8.844  -4.516   5.300
   90   1HZ   LYS  12          1HZ       LYS  12  10.084  -4.600   3.264
   91   2HZ   LYS  12          2HZ       LYS  12  10.444  -2.996   3.360
   92   3HZ   LYS  12          3HZ       LYS  12  11.044  -4.040   4.484
   93    H    CYS  13           HN       CYS  13   3.240  -4.300   1.652
   94    HA   CYS  13           HA       CYS  13   2.392  -6.564   3.112
   95   1HB   CYS  13          1HB       CYS  13   1.272  -4.400   3.180
   96   2HB   CYS  13          2HB       CYS  13   0.764  -4.568   1.496
   97    H    LEU  14           H        LEU  14   1.940  -5.748  -0.392
   98    HA   LEU  14           HA       LEU  14   0.572  -8.184  -0.960
   99   1HB   LEU  14          1HB       LEU  14   1.852  -6.044  -2.636
  100   2HB   LEU  14          2HB       LEU  14   1.840  -7.648  -3.344
  101    HG   LEU  14           HG       LEU  14  -0.636  -7.808  -2.644
  102   1HD1  LEU  14          1HD1      LEU  14  -0.504  -5.652  -1.264
  103   2HD1  LEU  14          2HD1      LEU  14  -0.252  -4.748  -2.748
  104   3HD1  LEU  14          3HD1      LEU  14  -1.788  -5.584  -2.496
  105   1HD2  LEU  14          1HD2      LEU  14   0.236  -5.896  -4.880
  106   2HD2  LEU  14          2HD2      LEU  14  -0.064  -7.636  -5.028
  107   3HD2  LEU  14          3HD2      LEU  14  -1.400  -6.560  -4.708
  108    H    GLN  15           H        GLN  15   4.016  -7.396  -1.188
  109    HA   GLN  15           HA       GLN  15   4.984  -9.864  -2.148
  110   1HB   GLN  15          1HB       GLN  15   6.076  -7.584  -0.520
  111   2HB   GLN  15          2HB       GLN  15   6.964  -9.068  -0.364
  112   1HG   GLN  15          1HG       GLN  15   6.284  -8.192  -3.168
  113   2HG   GLN  15          2HG       GLN  15   7.460  -7.244  -2.272
  114   1HE2  GLN  15          1HE2      GLN  15   8.704 -11.136  -2.588
  115   2HE2  GLN  15          2HE2      GLN  15   7.084 -10.872  -1.956
  116    H    ALA  16           H        ALA  16   4.356  -8.868   1.232
  117    HA   ALA  16           HA       ALA  16   5.068 -11.424   2.372
  118   1HB   ALA  16          1HB       ALA  16   5.116  -9.292   3.624
  119   2HB   ALA  16          2HB       ALA  16   3.348  -9.176   3.500
  120   3HB   ALA  16          3HB       ALA  16   4.088 -10.496   4.424
  121    H    ASN  17           H        ASN  17   2.236 -10.504   0.620
  122    HA   ASN  17           HA       ASN  17   0.604 -12.752   1.712
  123   1HB   ASN  17          1HB       ASN  17  -0.200  -9.972   0.812
  124   2HB   ASN  17          2HB       ASN  17  -1.300 -11.308   1.088
  125   1HD2  ASN  17          1HD2      ASN  17   0.144  -9.320   4.316
  126   2HD2  ASN  17          2HD2      ASN  17   0.688  -8.916   2.672
  127    H    SER  18           H        SER  18   2.648 -12.536  -0.612
  128    HA   SER  18           HA       SER  18   2.896 -13.392  -2.672
  129   1HB   SER  18          1HB       SER  18   0.376 -14.944  -1.992
  130   2HB   SER  18          2HB       SER  18   1.588 -15.380  -3.212
  131    HG   SER  18           HG       SER  18   1.868 -16.428  -1.152
  132    H    TYR  19           H        TYR  19   1.516 -10.860  -2.604
  133    HA   TYR  19           HA       TYR  19   0.560  -9.416  -3.904
  134   1HB   TYR  19          1HB       TYR  19   0.676 -11.436  -6.156
  135   2HB   TYR  19          2HB       TYR  19   0.324  -9.728  -6.324
  136    HD1  TYR  19           HD1      TYR  19   2.100  -8.008  -5.484
  137    HD2  TYR  19           HD2      TYR  19   2.956 -12.156  -6.284
  138    HE1  TYR  19           HE1      TYR  19   4.508  -7.484  -5.508
  139    HE2  TYR  19           HE2      TYR  19   5.368 -11.628  -6.412
  140    HH   TYR  19           HH       TYR  19   7.012  -9.944  -6.204
  141    H    LEU  20           H        LEU  20  -1.064 -11.472  -2.356
  142    HA   LEU  20           HA       LEU  20  -3.676 -11.340  -3.700
  143   1HB   LEU  20          1HB       LEU  20  -2.920 -12.196  -0.904
  144   2HB   LEU  20          2HB       LEU  20  -4.572 -12.056  -1.500
  145    HG   LEU  20           HG       LEU  20  -2.520 -13.832  -2.868
  146   1HD1  LEU  20          1HD1      LEU  20  -2.800 -14.600  -0.540
  147   2HD1  LEU  20          2HD1      LEU  20  -4.568 -14.568  -0.720
  148   3HD1  LEU  20          3HD1      LEU  20  -3.592 -15.728  -1.652
  149   1HD2  LEU  20          1HD2      LEU  20  -5.576 -13.728  -2.964
  150   2HD2  LEU  20          2HD2      LEU  20  -4.460 -13.292  -4.276
  151   3HD2  LEU  20          3HD2      LEU  20  -4.572 -14.968  -3.748
  152    H    GLU  21           H        GLU  21  -3.620  -9.276  -4.096
  153    HA   GLU  21           HA       GLU  21  -3.432  -7.020  -2.692
  154   1HB   GLU  21          1HB       GLU  21  -4.320  -7.548  -5.156
  155   2HB   GLU  21          2HB       GLU  21  -5.908  -7.304  -4.408
  156   1HG   GLU  21          1HG       GLU  21  -4.828  -5.132  -3.436
  157   2HG   GLU  21          2HG       GLU  21  -3.564  -5.416  -4.640
  158    H    SER  22           H        SER  22  -6.304  -9.180  -2.456
  159    HA   SER  22           HA       SER  22  -8.004  -7.676  -0.940
  160   1HB   SER  22          1HB       SER  22  -7.520 -10.640  -0.512
  161   2HB   SER  22          2HB       SER  22  -9.056  -9.748  -0.440
  162    HG   SER  22           HG       SER  22  -8.876 -10.856  -2.408
  163    H    LYS  23           H        LYS  23  -4.972  -9.216   0.204
  164    HA   LYS  23           HA       LYS  23  -5.760  -8.952   3.036
  165   1HB   LYS  23          1HB       LYS  23  -3.052  -9.628   1.804
  166   2HB   LYS  23          2HB       LYS  23  -3.524  -9.792   3.496
  167   1HG   LYS  23          1HG       LYS  23  -5.488 -11.288   2.288
  168   2HG   LYS  23          2HG       LYS  23  -4.140 -11.536   1.148
  169   1HD   LYS  23          1HD       LYS  23  -2.824 -12.608   2.732
  170   2HD   LYS  23          2HD       LYS  23  -3.740 -11.968   4.116
  171   1HE   LYS  23          1HE       LYS  23  -5.652 -13.352   3.548
  172   2HE   LYS  23          2HE       LYS  23  -4.856 -13.912   2.060
  173   1HZ   LYS  23          1HZ       LYS  23  -3.180 -14.940   3.400
  174   2HZ   LYS  23          2HZ       LYS  23  -3.864 -14.384   4.788
  175   3HZ   LYS  23          3HZ       LYS  23  -4.664 -15.492   3.864
  176    H    CYS  24           HN       CYS  24  -4.576  -6.888   0.640
  177    HA   CYS  24           HA       CYS  24  -3.204  -5.016   2.528
  178   1HB   CYS  24          1HB       CYS  24  -2.664  -5.740  -0.376
  179   2HB   CYS  24          2HB       CYS  24  -1.792  -4.520   0.580
  180    H    GLN  25           H        GLN  25  -5.996  -5.448   0.720
  181    HA   GLN  25           HA       GLN  25  -6.444  -2.952  -0.412
  182   1HB   GLN  25          1HB       GLN  25  -8.084  -5.248   0.496
  183   2HB   GLN  25          2HB       GLN  25  -8.952  -3.716   0.500
  184   1HG   GLN  25          1HG       GLN  25  -7.312  -4.736  -1.868
  185   2HG   GLN  25          2HG       GLN  25  -9.064  -4.972  -1.696
  186   1HE2  GLN  25          1HE2      GLN  25  -8.264  -1.824  -3.720
  187   2HE2  GLN  25          2HE2      GLN  25  -7.592  -3.440  -3.872
  188    H    ALA  26           H        ALA  26  -6.680  -3.812   3.044
  189    HA   ALA  26           HA       ALA  26  -7.768  -1.336   3.940
  190   1HB   ALA  26          1HB       ALA  26  -7.532  -3.332   5.368
  191   2HB   ALA  26          2HB       ALA  26  -5.760  -3.184   5.300
  192   3HB   ALA  26          3HB       ALA  26  -6.728  -1.928   6.092
  193    H    VAL  27           H        VAL  27  -4.512  -2.128   2.768
  194    HA   VAL  27           HA       VAL  27  -3.312   0.308   3.872
  195    HB   VAL  27           HB       VAL  27  -2.044  -1.520   1.808
  196   1HG1  VAL  27          1HG1      VAL  27  -0.892   0.580   2.604
  197   2HG1  VAL  27          2HG1      VAL  27  -0.872  -0.112   4.236
  198   3HG1  VAL  27          3HG1      VAL  27   0.004  -0.924   2.920
  199   1HG2  VAL  27          1HG2      VAL  27  -2.068  -2.148   4.788
  200   2HG2  VAL  27          2HG2      VAL  27  -2.848  -3.116   3.528
  201   3HG2  VAL  27          3HG2      VAL  27  -1.092  -2.948   3.524
  202    H    ILE  28           H        ILE  28  -4.544  -1.008   0.796
  203    HA   ILE  28           HA       ILE  28  -3.980   1.300  -0.848
  204    HB   ILE  28           HB       ILE  28  -6.024  -0.936  -1.120
  205   1HG1  ILE  28          1HG1      ILE  28  -3.392  -0.608  -2.636
  206   2HG1  ILE  28          2HG1      ILE  28  -3.480  -1.504  -1.120
  207   1HG2  ILE  28          1HG2      ILE  28  -6.752   0.948  -2.476
  208   2HG2  ILE  28          2HG2      ILE  28  -5.132   1.124  -3.180
  209   3HG2  ILE  28          3HG2      ILE  28  -6.128  -0.304  -3.536
  210   1HD1  ILE  28          1HD1      ILE  28  -5.120  -3.044  -2.044
  211   2HD1  ILE  28          2HD1      ILE  28  -5.016  -2.232  -3.620
  212   3HD1  ILE  28          3HD1      ILE  28  -3.592  -3.044  -2.944
  213    H    GLN  29           H        GLN  29  -6.820   0.448   1.196
  214    HA   GLN  29           HA       GLN  29  -8.316   2.796   0.624
  215   1HB   GLN  29          1HB       GLN  29  -7.984   1.452   3.352
  216   2HB   GLN  29          2HB       GLN  29  -9.184   2.644   2.916
  217   1HG   GLN  29          1HG       GLN  29  -9.072  -0.240   2.064
  218   2HG   GLN  29          2HG       GLN  29 -10.320   0.612   2.924
  219   1HE2  GLN  29          1HE2      GLN  29 -10.756   0.360  -1.008
  220   2HE2  GLN  29          2HE2      GLN  29  -9.604  -0.672  -0.224
  221    H    GLU  30           H        GLU  30  -5.596   2.304   2.920
  222    HA   GLU  30           HA       GLU  30  -5.536   4.948   3.932
  223   1HB   GLU  30          1HB       GLU  30  -4.204   2.604   4.468
  224   2HB   GLU  30          2HB       GLU  30  -2.912   3.520   3.712
  225   1HG   GLU  30          1HG       GLU  30  -4.628   4.548   6.016
  226   2HG   GLU  30          2HG       GLU  30  -3.160   3.616   6.248
  227    H    LEU  31           H        LEU  31  -3.720   3.480   1.192
  228    HA   LEU  31           HA       LEU  31  -2.436   5.868   0.324
  229   1HB   LEU  31          1HB       LEU  31  -1.828   3.656  -0.540
  230   2HB   LEU  31          2HB       LEU  31  -3.436   3.436  -1.228
  231    HG   LEU  31           HG       LEU  31  -2.888   5.460  -2.756
  232   1HD1  LEU  31          1HD1      LEU  31  -0.920   6.212  -1.476
  233   2HD1  LEU  31          2HD1      LEU  31  -0.060   4.712  -1.896
  234   3HD1  LEU  31          3HD1      LEU  31  -0.516   5.872  -3.164
  235   1HD2  LEU  31          1HD2      LEU  31  -1.300   2.904  -3.148
  236   2HD2  LEU  31          2HD2      LEU  31  -3.016   3.132  -3.556
  237   3HD2  LEU  31          3HD2      LEU  31  -1.776   4.076  -4.392
  238    H    LYS  32           H        LYS  32  -5.684   4.568  -0.648
  239    HA   LYS  32           HA       LYS  32  -6.268   6.736  -2.436
  240   1HB   LYS  32          1HB       LYS  32  -8.016   4.840  -0.836
  241   2HB   LYS  32          2HB       LYS  32  -8.732   6.208  -1.700
  242   1HG   LYS  32          1HG       LYS  32  -7.624   5.444  -3.808
  243   2HG   LYS  32          2HG       LYS  32  -7.020   4.020  -2.944
  244   1HD   LYS  32          1HD       LYS  32  -9.792   4.032  -2.380
  245   2HD   LYS  32          2HD       LYS  32  -9.700   4.616  -4.052
  246   1HE   LYS  32          1HE       LYS  32  -8.164   2.616  -4.516
  247   2HE   LYS  32          2HE       LYS  32  -8.588   2.032  -2.896
  248   1HZ   LYS  32          1HZ       LYS  32 -10.900   2.056  -3.592
  249   2HZ   LYS  32          2HZ       LYS  32 -10.460   2.532  -5.108
  250   3HZ   LYS  32          3HZ       LYS  32  -9.988   1.056  -4.544
  251    H    LYS  33           H        LYS  33  -6.896   6.440   1.088
  252    HA   LYS  33           HA       LYS  33  -8.152   9.012   1.264
  253   1HB   LYS  33          1HB       LYS  33  -8.048   6.960   2.944
  254   2HB   LYS  33          2HB       LYS  33  -6.644   7.808   3.600
  255   1HG   LYS  33          1HG       LYS  33  -8.060   9.824   3.980
  256   2HG   LYS  33          2HG       LYS  33  -9.412   9.032   3.168
  257   1HD   LYS  33          1HD       LYS  33  -9.792   8.888   5.536
  258   2HD   LYS  33          2HD       LYS  33  -9.484   7.276   4.904
  259   1HE   LYS  33          1HE       LYS  33  -8.360   7.592   7.040
  260   2HE   LYS  33          2HE       LYS  33  -7.164   7.356   5.752
  261   1HZ   LYS  33          1HZ       LYS  33  -6.784   9.712   5.736
  262   2HZ   LYS  33          2HZ       LYS  33  -7.972   9.972   6.844
  263   3HZ   LYS  33          3HZ       LYS  33  -6.608   9.156   7.272
  264    H    CYS  34           HN       CYS  34  -4.780   7.960   1.648
  265    HA   CYS  34           HA       CYS  34  -3.532  10.388   2.296
  266   1HB   CYS  34          1HB       CYS  34  -2.496   8.068   2.204
  267   2HB   CYS  34          2HB       CYS  34  -2.548   8.152   0.476
  268    H    ALA  35           H        ALA  35  -4.168   8.960  -0.924
  269    HA   ALA  35           HA       ALA  35  -3.148  11.084  -2.476
  270   1HB   ALA  35          1HB       ALA  35  -3.636   8.840  -3.380
  271   2HB   ALA  35          2HB       ALA  35  -5.380   9.124  -3.176
  272   3HB   ALA  35          3HB       ALA  35  -4.448  10.100  -4.328
  273    H    ALA  36           H        ALA  36  -6.488  10.496  -1.292
  274    HA   ALA  36           HA       ALA  36  -7.688  12.808  -2.412
  275   1HB   ALA  36          1HB       ALA  36  -8.948  10.904  -1.456
  276   2HB   ALA  36          2HB       ALA  36  -8.400  11.356   0.172
  277   3HB   ALA  36          3HB       ALA  36  -9.448  12.452  -0.744
  278    H    GLN  37           H        GLN  37  -5.764  12.452   0.580
  279    HA   GLN  37           HA       GLN  37  -6.184  15.200   1.444
  280   1HB   GLN  37          1HB       GLN  37  -4.064  13.136   2.120
  281   2HB   GLN  37          2HB       GLN  37  -4.104  14.760   2.800
  282   1HG   GLN  37          1HG       GLN  37  -6.172  14.316   3.952
  283   2HG   GLN  37          2HG       GLN  37  -6.404  12.792   3.088
  284   1HE2  GLN  37          1HE2      GLN  37  -3.144  12.588   5.580
  285   2HE2  GLN  37          2HE2      GLN  37  -3.208  13.812   4.316
  286    H    TYR  38           H        TYR  38  -3.252  13.568   0.020
  287    HA   TYR  38           HA       TYR  38  -2.140  16.192  -0.608
  288   1HB   TYR  38          1HB       TYR  38  -1.160  13.328  -0.880
  289   2HB   TYR  38          2HB       TYR  38  -0.268  14.700  -1.508
  290    HD1  TYR  38           HD1      TYR  38   1.396  15.660  -0.184
  291    HD2  TYR  38           HD2      TYR  38  -1.824  13.524   1.728
  292    HE1  TYR  38           HE1      TYR  38   2.532  15.900   2.004
  293    HE2  TYR  38           HE2      TYR  38  -0.744  13.840   3.920
  294    HH   TYR  38           HH       TYR  38   1.136  14.636   5.044