*HEADER   METALLOTHIONEIN                         22-NOV-94   1DMF    
*COMPND   CD-6 METALLOTHIONEIN-1 (CD-6 MT) (BETA DOMAIN)              
*COMPND  2 (NMR, 18 STRUCTURES)                                       
*SOURCE   CRAB (CALLINECTES SAPIDUS)                                  
*AUTHOR   S.S.NARULA,M.BROUWER,Y.HUA,I.M.ARMITAGE                     
*REVDAT  1   07-FEB-95 1DMF    0                                      

!nt_noe.tbl; July 9, 1993, a few of the NOEs are corrected today.
!This is modified on July 7, 8 and 9 1993 to include a set of new NOEs
!This was also modified earlier on Feb 15, 93 to correct a few NOEs
!For N-terminal metal cluster
!All the long-range NOEs are clubbed together at the end.
!Reference for NOE is JMB 196, 611-39 (1987).
!
! Strong NOEs have range 1.8 0.0 0.9
! Medium NOEs have range 1.8 0.0 1.4
! Weak   NOEs have range 1.8 0.0 1.8
! Very weak NOEs have range 1.8 0.0 2.7 (Those appearing in higher mixing time
! NOESY spectra.
! Add 2.4 for Val methyl groups.
set message=off echo=off end
assign (resid    2 and  name HA#   )(resid   3 and  name HD#   ) 1.8 0.0 1.9
assign (resid    3 and  name HA   )(resid   4 and  name HN   ) 1.8 0.0 1.4
assign (resid    3 and  name HG#   )(resid   4 and  name HN   ) 1.8 0.0 2.4
assign (resid    3 and  name HD#   )(resid   4 and  name HN   ) 1.8 0.0 3.7
assign (resid    4 and  name HA   )(resid   5 and  name HN   ) 1.8 0.0 1.8
assign (resid    4 and  name HN   )(resid   4 and  name HB1   ) 1.8 0.0 1.8
assign (resid    5 and  name HA   )(resid   6 and  name HN   ) 1.8 0.0 1.8
assign (resid    6 and  name HN   )(resid   8 and  name HN   ) 1.8 0.0 1.8
assign (resid    6 and  name HN   )(resid   6 and  name HB#   ) 1.8 0.0 1.9
assign (resid    7 and  name HN   )(resid   8 and  name HN   ) 1.8 0.0 1.8
assign (resid    7 and  name HA   )(resid   8 and  name HN   ) 1.8 0.0 1.8
assign (resid    7 and  name HB#   )(resid   8 and  name HN   ) 1.8 0.0 2.4
assign (resid    7 and  name HN   )(resid   7 and  name HB#   ) 1.8 0.0 2.4
assign (resid    8 and  name HN   )(resid   8 and  name HB#   ) 1.8 0.0 2.4
assign (resid    8 and  name HN   )(resid   8 and  name HG#   ) 1.8 0.0 2.4
assign (resid    8 and  name HB#   )(resid   9 and  name HN   ) 1.8 0.0 2.4
assign (resid    9 and  name HA   )(resid   10 and  name HN   ) 1.8 0.0 0.9
assign (resid    9 and  name HB#   )(resid   10 and  name HA   ) 1.8 0.0 3.7
assign (resid    9 and  name HA   )(resid   10 and  name HG#   ) 1.8 0.0 4.2
assign (resid    9 and  name HB#   )(resid   10 and  name HG#   ) 1.8 0.0 4.8
assign (resid    9 and  name HA   )(resid   10 and  name HA   ) 1.8 0.0 2.7
assign (resid    9 and  name HA   )(resid   11 and  name HN   ) 1.8 0.0 1.8
assign (resid    10 and  name HA   )(resid   11 and  name HN   ) 1.8 0.0 1.4
assign (resid    10 and  name HN   )(resid   11 and  name HN   ) 1.8 0.0 0.9
assign (resid    10 and  name HN   )(resid   10 and  name HB#   ) 1.8 0.0 2.8
assign (resid    10 and  name HN   )(resid   10 and  name HG#   ) 1.8 0.0 3.3
assign (resid    10 and  name HG#   )(resid   11 and  name HN   ) 1.8 0.0 4.2
assign (resid    10 and  name HA   )(resid   13 and  name HN   ) 1.8 0.0 1.8
assign (resid    11 and  name HN   )(resid   12 and  name HN   ) 1.8 0.0 1.4
assign (resid    11 and  name HN   )(resid   11 and  name HB1   ) 1.8 0.0 0.9
assign (resid    11 and  name HN   )(resid   11 and  name HB2   ) 1.8 0.0 0.9
assign (resid    11 and  name HB1   )(resid   12 and  name HN   ) 1.8 0.0 0.9
assign (resid    11 and  name HB2   )(resid   12 and  name HN   ) 1.8 0.0 1.8
assign (resid    12 and  name HA   )(resid   13 and  name HN   ) 1.8 0.0 1.4
assign (resid    12 and  name HN   )(resid   13 and  name HN   ) 1.8 0.0 1.4
assign (resid    12 and  name HN   )(resid   12 and  name HB#   ) 1.8 0.0 1.9
assign (resid    13 and  name HA   )(resid   14 and  name HN   ) 1.8 0.0 1.8
assign (resid    13 and  name HN   )(resid   14 and  name HN   ) 1.8 0.0 1.4
assign (resid    13 and  name HN   )(resid   13 and  name HB#   ) 1.8 0.0 1.9
assign (resid    13 and  name HN   )(resid   13 and  name HG#   ) 1.8 0.0 2.4
assign (resid    13 and  name HN   )(resid   15 and  name HN   ) 1.8 0.0 1.8
assign (resid    13 and  name HG#   )(resid   15 and  name HN   ) 1.8 0.0 3.7
assign (resid    14 and  name HA#   )(resid   15 and  name HN   ) 1.8 0.0 2.8 
assign (resid    14 and  name HN   )(resid   15 and  name HN   ) 1.8 0.0 1.4
assign (resid    15 and  name HA#   )(resid   16 and  name HN   ) 1.8 0.0 2.4
assign (resid    15 and  name HN   )(resid   16 and  name HN   ) 1.8 0.0 0.9
assign (resid    16 and  name HA   )(resid   17 and  name HN   ) 1.8 0.0 0.9
assign (resid    16 and  name HB1   )(resid   17 and  name HN   ) 1.8 0.0 1.4
assign (resid    16 and  name HB2   )(resid   17 and  name HN   ) 1.8 0.0 1.8
assign (resid    16 and  name HN   )(resid   16 and  name HB1   ) 1.8 0.0 1.4
assign (resid    16 and  name HN   )(resid   16 and  name HB2   ) 1.8 0.0 0.9
assign (resid    17 and  name HA   )(resid   18 and  name HN   ) 1.8 0.0 1.4
assign (resid    17 and  name HB#   )(resid   18 and  name HN   ) 1.8 0.0 1.9
assign (resid    17 and  name HN   )(resid   17 and  name HB#   ) 1.8 0.0 1.9
assign (resid    17 and  name HN   )(resid   17 and  name HG#   ) 1.8 0.0 2.4
assign (resid    17 and  name HA   )(resid   17 and  name HD#   ) 1.8 0.0 2.7
assign (resid    18 and  name HN   )(resid   19 and  name HN   ) 1.8 0.0 2.7
assign (resid    18 and  name HN   )(resid   18 and  name HB#   ) 1.8 0.0 1.9
assign (resid    18 and  name HB#   )(resid   19 and  name HN   ) 1.8 0.0 2.9
assign (resid    19 and  name HA#   )(resid   20 and  name HN   ) 1.8 0.0 2.4
assign (resid    19 and  name HN   )(resid   20 and  name HN   ) 1.8 0.0 0.9
assign (resid    20 and  name HA   )(resid   21 and  name HN   ) 1.8 0.0 0.9
assign (resid    20 and  name HN   )(resid   21 and  name HN   ) 1.8 0.0 2.7
assign (resid    20 and  name HN   )(resid   20 and  name HB1   ) 1.8 0.0 0.9
assign (resid    20 and  name HN   )(resid   20 and  name HB2   ) 1.8 0.0 0.9
assign (resid    20 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 1.8
assign (resid    21 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 1.8
assign (resid    21 and  name HN   )(resid   22 and  name HN   ) 1.8 0.0 0.9
assign (resid    21 and  name HB#   )(resid   22 and  name HN   ) 1.8 0.0 2.8
assign (resid    21 and  name HN   )(resid   21 and  name HB#   ) 1.8 0.0 2.4
assign (resid    21 and  name HN   )(resid   21 and  name HG#   ) 1.8 0.0 2.4
assign (resid    22 and  name HN   )(resid   22 and  name HB1   ) 1.8 0.0 0.9
assign (resid    22 and  name HN   )(resid   22 and  name HB2   ) 1.8 0.0 0.9
assign (resid    22 and  name HB2   )(resid   23 and  name HN   ) 1.8 0.0 2.7
assign (resid    23 and  name HA   )(resid   24 and  name HN   ) 1.8 0.0 1.4
assign (resid    23 and  name HG#   )(resid   24 and  name HN   ) 1.8 0.0 2.8
assign (resid    23 and  name HN   )(resid   23 and  name HB   ) 1.8 0.0 1.8
assign (resid    23 and  name HN   )(resid   23 and  name HG#   ) 1.8 0.0 1.9
assign (resid    23 and  name HN   )(resid   24 and  name HN   ) 1.8 0.0 1.4 !July 7
assign (resid    24 and  name HA   )(resid   25 and  name HN   ) 1.8 0.0 1.8 !from 0.9 on July 7
assign (resid    24 and  name HN   )(resid   25 and  name HN   ) 1.8 0.0 0.9 !July 7
assign (resid    24 and  name HB#   )(resid   25 and  name HN   ) 1.8 0.0 2.8
assign (resid    24 and  name HN   )(resid   24 and  name HB#   ) 1.8 0.0 1.9
assign (resid    25 and  name HA   )(resid   26 and  name HN   ) 1.8 0.0 0.9
assign (resid    25 and  name HN   )(resid   25 and  name HB1   ) 1.8 0.0 1.8
assign (resid    25 and  name HN   )(resid   25 and  name HB2   ) 1.8 0.0 2.7
assign (resid    25 and  name HN   )(resid   26 and  name HN   ) 1.8 0.0 1.8 ! July 8
assign (resid    26 and  name HA   )(resid   27 and  name HN   ) 1.8 0.0 0.9
assign (resid    27 and  name HA   )(resid   28 and  name HN   ) 1.8 0.0 1.8
assign (resid    27 and  name HN   )(resid   28 and  name HN   ) 1.8 0.0 2.7
assign (resid    27 and  name HN   )(resid   27 and  name HB1   ) 1.8 0.0 1.4 
assign (resid    27 and  name HN   )(resid   27 and  name HB2   ) 1.8 0.0 1.4
assign (resid    27 and  name HB1   )(resid   28 and  name HN   ) 1.8 0.0 1.4 
assign (resid    27 and  name HB2   )(resid   28 and  name HN   ) 1.8 0.0 0.9
assign (resid    28 and  name HN   )(resid   28 and  name HB#   ) 1.8 0.0 1.9
!
!Long Range NOES, October 5, 1992 and July 7 and 8, 1993
!
!assign (resid    3 and  name HD#   )(resid   20 and  name HA   ) 1.8 0.0 2.8 ! July 9
!assign (resid    3 and  name HB#   )(resid   20 and  name HA   ) 1.8 0.0 2.4 ! July 9
assign (resid    4 and  name HB1   )(resid   16 and  name HA   ) 1.8 0.0 1.4
assign (resid    4 and  name HB1   )(resid   16 and  name HB1   ) 1.8 0.0 1.8
assign (resid    4 and  name HN   )(resid   20 and  name HA   ) 1.8 0.0 2.7
!assign (resid    4 and  name HN   )(resid   24 and  name HB#   ) 1.8 0.0 2.8 !July 9
!Modified on Feb 15 from 3.3 to 4.2
assign (resid    5 and  name HN   )(resid   10 and  name HG#   ) 1.8 0.0 4.2
assign (resid    5 and  name HB#   )(resid   9 and  name HA   ) 1.8 0.0 2.8
assign (resid    5 and  name HA   )(resid   10 and  name HG#   ) 1.8 0.0 3.8
assign (resid    5 and  name HB#   )(resid   22 and  name HB2   ) 1.8 0.0 1.9
assign (resid    5 and  name HB#   )(resid   22 and  name HB1   ) 1.8 0.0 2.4
assign (resid    5 and  name HA   )(resid   22 and  name HB1   ) 1.8 0.0 2.7 !July 7
!Modified on Feb 15 from 1.9 to 2.8
assign (resid    8 and  name HG#   )(resid   16 and  name HA   ) 1.8 0.0 2.8
!Taken out
!assign (resid    9 and  name HB#   )(resid   15 and  name HA#   ) 1.8 0.0 4.7
assign (resid    9 and  name HA   )(resid   22 and  name HB2   ) 1.8 0.0 2.7 !July 7
assign (resid    10 and  name HG#   )(resid   15 and  name HN   ) 1.8 0.0 3.8
assign (resid    10 and  name HG#   )(resid   15 and  name HA#   ) 1.8 0.0 4.3
assign (resid    10 and  name HB   )(resid   15 and  name HA#   ) 1.8 0.0 1.9
assign (resid    10 and  name HA   )(resid   15 and  name HA#   ) 1.8 0.0 2.8
assign (resid    10 and  name HB   )(resid   15 and  name HN   ) 1.8 0.0 0.9
assign (resid    10 and  name HB   )(resid   16 and  name HN   ) 1.8 0.0 1.8
assign (resid    11 and  name HB2   )(resid   25 and  name HB2   ) 1.8 0.0 1.4
assign (resid    11 and  name HB1   )(resid   25 and  name HA   ) 1.8 0.0 1.8
assign (resid    11 and  name HB2   )(resid   25 and  name HA   ) 1.8 0.0 2.7
!assign (resid    23 and  name HN   )(resid   24 and  name HB#   ) 1.8 0.0 3.7 ! July 8
set message=on echo=on end

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  168 H/Q atoms
  Start of MODEL    1
    1   1H    PRO   1          1H        PRO   1 -13.621   3.498   1.341
    2   2H    PRO   1          2H        PRO   1 -13.175   4.959   2.088
    3    HA   PRO   1           HA       PRO   1 -11.704   3.910   3.358
    4   1HB   PRO   1          2HB       PRO   1 -13.194   1.712   4.441
    5   2HB   PRO   1          1HB       PRO   1 -12.760   3.232   5.236
    6   1HG   PRO   1          2HG       PRO   1 -15.339   2.406   4.292
    7   2HG   PRO   1          1HG       PRO   1 -14.903   3.916   5.105
    8   1HD   PRO   1          1HD       PRO   1 -15.582   3.549   2.353
    9   2HD   PRO   1          2HD       PRO   1 -15.102   5.044   3.163
   10    H    GLY   2           H        GLY   2 -10.521   3.107   1.519
   11   1HA   GLY   2          2HA       GLY   2 -11.067   0.260   0.804
   12   2HA   GLY   2          1HA       GLY   2 -10.153   1.389  -0.198
   13    HA   PRO   3           HA       PRO   3  -7.019  -0.998   2.134
   14   1HB   PRO   3          2HB       PRO   3  -5.443  -1.475  -0.067
   15   2HB   PRO   3          1HB       PRO   3  -6.790  -2.521   0.416
   16   1HG   PRO   3          2HG       PRO   3  -6.640  -0.579  -1.840
   17   2HG   PRO   3          1HG       PRO   3  -7.647  -2.026  -1.671
   18   1HD   PRO   3          1HD       PRO   3  -8.496   0.656  -1.290
   19   2HD   PRO   3          2HD       PRO   3  -9.402  -0.807  -0.845
   20    H    CYS   4           H        CYS   4  -4.358  -0.628   1.246
   21    HA   CYS   4           HA       CYS   4  -4.025   2.275   1.789
   22   1HB   CYS   4          2HB       CYS   4  -1.528   1.546   1.878
   23   2HB   CYS   4          1HB       CYS   4  -2.548   1.104   3.237
   24    H    CYS   5           H        CYS   5  -2.515  -0.145  -0.393
   25    HA   CYS   5           HA       CYS   5  -1.671   2.009  -2.184
   26   1HB   CYS   5          2HB       CYS   5  -1.275  -0.984  -2.294
   27   2HB   CYS   5          1HB       CYS   5  -0.635   0.151  -3.486
   28    H    ASN   6           H        ASN   6  -4.328   2.161  -2.240
   29    HA   ASN   6           HA       ASN   6  -5.340   0.516  -4.490
   30   1HB   ASN   6          2HB       ASN   6  -6.648   1.518  -2.327
   31   2HB   ASN   6          1HB       ASN   6  -6.903   2.841  -3.465
   32   1HD2  ASN   6          2HD2      ASN   6  -8.514   0.446  -5.839
   33   2HD2  ASN   6          1HD2      ASN   6  -7.153   1.458  -5.898
   34    H    ASP   7           H        ASP   7  -3.999   3.576  -3.678
   35    HA   ASP   7           HA       ASP   7  -3.535   4.243  -6.465
   36   1HB   ASP   7          2HB       ASP   7  -5.922   5.103  -5.819
   37   2HB   ASP   7          1HB       ASP   7  -5.049   6.314  -4.879
   38    H    LYS   8           H        LYS   8  -2.164   3.750  -3.785
   39    HA   LYS   8           HA       LYS   8  -0.293   5.992  -4.017
   40   1HB   LYS   8          2HB       LYS   8  -0.495   6.808  -1.772
   41   2HB   LYS   8          1HB       LYS   8  -2.104   6.828  -2.486
   42   1HG   LYS   8          2HG       LYS   8  -1.883   4.267  -1.323
   43   2HG   LYS   8          1HG       LYS   8  -1.151   5.355  -0.141
   44   1HD   LYS   8          2HD       LYS   8  -3.781   6.056  -1.443
   45   2HD   LYS   8          1HD       LYS   8  -3.726   4.980  -0.045
   46   1HE   LYS   8          2HE       LYS   8  -2.811   6.648   1.353
   47   2HE   LYS   8          1HE       LYS   8  -2.303   7.640  -0.015
   48   1HZ   LYS   8          2HZ       LYS   8  -4.624   8.043  -0.542
   49   2HZ   LYS   8          1HZ       LYS   8  -5.112   7.090   0.778
   50   3HZ   LYS   8          3HZ       LYS   8  -4.276   8.541   1.045
   51    H    CYS   9           H        CYS   9   1.374   4.388  -4.379
   52    HA   CYS   9           HA       CYS   9   1.721   2.206  -2.491
   53   1HB   CYS   9          2HB       CYS   9   2.873   2.384  -4.794
   54   2HB   CYS   9          1HB       CYS   9   3.997   3.499  -4.011
   55    H    VAL  10           H        VAL  10   1.713   2.903  -0.435
   56    HA   VAL  10           HA       VAL  10   3.256   5.325   0.362
   57    HB   VAL  10           HB       VAL  10   1.931   4.726   2.551
   58   1HG1  VAL  10          1HG1      VAL  10   0.916   6.054   0.046
   59   2HG1  VAL  10          3HG1      VAL  10  -0.022   6.070   1.540
   60   3HG1  VAL  10          2HG1      VAL  10   1.575   6.816   1.494
   61   1HG2  VAL  10          2HG2      VAL  10   1.033   2.601   1.577
   62   2HG2  VAL  10          1HG2      VAL  10  -0.243   3.709   2.082
   63   3HG2  VAL  10          3HG2      VAL  10   0.174   3.563   0.381
   64    H    CYS  11           H        CYS  11   4.471   2.614  -0.142
   65    HA   CYS  11           HA       CYS  11   5.179   1.788   2.581
   66   1HB   CYS  11          2HB       CYS  11   4.939   0.480   0.243
   67   2HB   CYS  11          1HB       CYS  11   6.674   0.788   0.234
   68    H    GLN  12           H        GLN  12   6.477   3.565  -0.121
   69    HA   GLN  12           HA       GLN  12   9.165   3.784   0.541
   70   1HB   GLN  12          2HB       GLN  12   7.373   5.172  -1.142
   71   2HB   GLN  12          1HB       GLN  12   8.177   6.395  -0.159
   72   1HG   GLN  12          2HG       GLN  12  10.374   5.459  -0.792
   73   2HG   GLN  12          1HG       GLN  12   9.565   4.251  -1.793
   74   1HE2  GLN  12          2HE2      GLN  12   9.832   8.117  -3.110
   75   2HE2  GLN  12          1HE2      GLN  12  10.228   7.739  -1.503
   76    H    GLU  13           H        GLU  13   6.445   5.014   2.202
   77    HA   GLU  13           HA       GLU  13   8.294   6.272   4.170
   78   1HB   GLU  13          2HB       GLU  13   7.173   8.084   3.076
   79   2HB   GLU  13          1HB       GLU  13   5.617   7.255   3.159
   80   1HG   GLU  13          2HG       GLU  13   5.229   8.139   5.171
   81   2HG   GLU  13          1HG       GLU  13   6.705   7.402   5.792
   82    H    GLY  14           H        GLY  14   4.865   6.257   4.719
   83   1HA   GLY  14          2HA       GLY  14   4.793   3.680   6.087
   84   2HA   GLY  14          1HA       GLY  14   4.834   5.053   7.198
   85    H    GLY  15           H        GLY  15   3.318   5.167   4.040
   86   1HA   GLY  15          2HA       GLY  15   0.789   5.942   5.319
   87   2HA   GLY  15          1HA       GLY  15   1.165   6.057   3.606
   88    H    CYS  16           H        CYS  16   2.085   2.986   4.074
   89    HA   CYS  16           HA       CYS  16  -0.116   1.856   2.792
   90   1HB   CYS  16          2HB       CYS  16   2.199   0.824   4.381
   91   2HB   CYS  16          1HB       CYS  16   0.856  -0.250   4.080
   92    H    LYS  17           H        LYS  17  -0.998  -0.322   4.173
   93    HA   LYS  17           HA       LYS  17  -1.922   0.385   6.858
   94   1HB   LYS  17          2HB       LYS  17  -4.269   0.519   6.376
   95   2HB   LYS  17          1HB       LYS  17  -3.475   1.622   5.251
   96   1HG   LYS  17          2HG       LYS  17  -4.498   0.507   3.579
   97   2HG   LYS  17          1HG       LYS  17  -3.447  -0.860   3.949
   98   1HD   LYS  17          2HD       LYS  17  -5.495  -1.891   4.211
   99   2HD   LYS  17          1HD       LYS  17  -5.283  -1.276   5.848
  100   1HE   LYS  17          2HE       LYS  17  -6.636   0.390   3.735
  101   2HE   LYS  17          1HE       LYS  17  -7.538  -0.806   4.665
  102   1HZ   LYS  17          3HZ       LYS  17  -5.882   1.327   5.890
  103   2HZ   LYS  17          2HZ       LYS  17  -7.554   1.465   5.628
  104   3HZ   LYS  17          1HZ       LYS  17  -6.952   0.277   6.682
  105    H    ALA  18           H        ALA  18  -3.985  -1.416   7.143
  106    HA   ALA  18           HA       ALA  18  -2.563  -3.975   6.875
  107   1HB   ALA  18          2HB       ALA  18  -4.515  -2.894   8.637
  108   2HB   ALA  18          1HB       ALA  18  -5.247  -4.291   7.847
  109   3HB   ALA  18          3HB       ALA  18  -3.732  -4.472   8.732
  110    H    GLY  19           H        GLY  19  -3.230  -2.946   4.358
  111   1HA   GLY  19          2HA       GLY  19  -4.856  -5.130   3.296
  112   2HA   GLY  19          1HA       GLY  19  -5.594  -3.538   3.099
  113    H    CYS  20           H        CYS  20  -2.315  -4.930   2.740
  114    HA   CYS  20           HA       CYS  20  -1.778  -3.108   0.512
  115   1HB   CYS  20          2HB       CYS  20  -0.198  -3.987   2.432
  116   2HB   CYS  20          1HB       CYS  20   0.039  -5.334   1.325
  117    H    GLN  21           H        GLN  21  -2.904  -3.746  -1.321
  118    HA   GLN  21           HA       GLN  21  -2.700  -6.596  -2.178
  119   1HB   GLN  21          2HB       GLN  21  -4.383  -4.284  -3.204
  120   2HB   GLN  21          1HB       GLN  21  -4.355  -5.886  -3.942
  121   1HG   GLN  21          2HG       GLN  21  -4.939  -5.564  -1.004
  122   2HG   GLN  21          1HG       GLN  21  -6.218  -5.364  -2.201
  123   1HE2  GLN  21          2HE2      GLN  21  -6.051  -8.984  -1.179
  124   2HE2  GLN  21          1HE2      GLN  21  -6.271  -7.535  -0.325
  125    H    CYS  22           H        CYS  22  -1.633  -3.380  -2.814
  126    HA   CYS  22           HA       CYS  22  -0.767  -3.388  -5.446
  127   1HB   CYS  22          2HB       CYS  22  -0.450  -1.383  -4.377
  128   2HB   CYS  22          1HB       CYS  22   0.027  -2.138  -2.875
  129    H    THR  23           H        THR  23   1.526  -3.631  -6.226
  130    HA   THR  23           HA       THR  23   3.019  -5.810  -4.843
  131    HB   THR  23           HB       THR  23   1.916  -7.057  -6.519
  132    HG1  THR  23           HG1      THR  23   4.005  -7.539  -6.809
  133   1HG2  THR  23          3HG2      THR  23   2.258  -4.563  -8.173
  134   2HG2  THR  23          2HG2      THR  23   1.901  -6.114  -8.934
  135   3HG2  THR  23          1HG2      THR  23   0.772  -5.422  -7.768
  136    H    SER  24           H        SER  24   3.880  -3.318  -4.498
  137    HA   SER  24           HA       SER  24   6.327  -3.195  -6.151
  138   1HB   SER  24          2HB       SER  24   4.090  -1.377  -6.473
  139   2HB   SER  24          1HB       SER  24   5.523  -0.506  -5.935
  140    HG   SER  24           HG       SER  24   5.844  -2.444  -7.914
  141    H    CYS  25           H        CYS  25   5.385  -3.650  -3.290
  142    HA   CYS  25           HA       CYS  25   7.499  -2.145  -2.022
  143   1HB   CYS  25          2HB       CYS  25   6.165  -1.296  -0.222
  144   2HB   CYS  25          1HB       CYS  25   5.596  -0.615  -1.727
  145    NH1  ARG  26           NH2      ARG  26  12.481  -6.399  -1.098
  146    NH2  ARG  26           NH1      ARG  26  12.765  -6.098   1.123
  147    H    ARG  26           H        ARG  26   8.460  -3.596  -0.853
  148    HA   ARG  26           HA       ARG  26   7.213  -6.207  -0.312
  149   1HB   ARG  26          2HB       ARG  26   9.809  -5.510  -0.864
  150   2HB   ARG  26          1HB       ARG  26   9.856  -5.589   0.898
  151   1HG   ARG  26          2HG       ARG  26   8.384  -7.839   0.179
  152   2HG   ARG  26          1HG       ARG  26   9.653  -7.760  -1.045
  153   1HD   ARG  26          2HD       ARG  26  10.365  -7.362   1.845
  154   2HD   ARG  26          1HD       ARG  26  10.121  -8.997   1.228
  155    HE   ARG  26           HE       ARG  26  12.192  -8.797   0.135
  156   1HH1  ARG  26          1HH2      ARG  26  12.146  -6.951  -1.861
  157   2HH1  ARG  26          2HH2      ARG  26  12.934  -5.525  -1.274
  158   1HH2  ARG  26          2HH1      ARG  26  12.647  -6.420   2.062
  159   2HH2  ARG  26          1HH1      ARG  26  13.218  -5.224   0.947
  160    H    CYS  27           H        CYS  27   5.627  -5.160   0.915
  161    HA   CYS  27           HA       CYS  27   5.816  -3.530   3.138
  162   1HB   CYS  27          2HB       CYS  27   3.875  -4.986   1.780
  163   2HB   CYS  27          1HB       CYS  27   3.834  -5.665   3.394
  164    H    SER  28           HN       SER  28   5.073  -6.969   3.426
  165    HA   SER  28           HA       SER  28   6.640  -7.028   5.971
  166   1HB   SER  28          2HB       SER  28   4.523  -8.926   4.916
  167   2HB   SER  28          1HB       SER  28   5.358  -9.099   6.457
  168    HG   SER  28           HG       SER  28   3.559  -7.989   6.957
   
  Start of MODEL           2
 Raw file had  168 H/Q atoms
  Start of MODEL    2
    1   1H    PRO   1          1H        PRO   1 -11.914   0.315  -0.951
    2   2H    PRO   1          2H        PRO   1 -13.140   1.436  -0.586
    3    HA   PRO   1           HA       PRO   1 -13.722   0.269   1.199
    4   1HB   PRO   1          2HB       PRO   1 -13.999  -2.400   0.191
    5   2HB   PRO   1          1HB       PRO   1 -15.281  -1.236   0.555
    6   1HG   PRO   1          2HG       PRO   1 -14.364  -2.101  -2.018
    7   2HG   PRO   1          1HG       PRO   1 -15.647  -0.939  -1.649
    8   1HD   PRO   1          1HD       PRO   1 -13.042  -0.399  -2.709
    9   2HD   PRO   1          2HD       PRO   1 -14.322   0.756  -2.323
   10    H    GLY   2           H        GLY   2 -11.420  -1.524  -0.845
   11   1HA   GLY   2          2HA       GLY   2  -9.735  -1.938   1.552
   12   2HA   GLY   2          1HA       GLY   2 -10.262  -3.387   0.698
   13    HA   PRO   3           HA       PRO   3  -7.259  -0.934  -2.163
   14   1HB   PRO   3          2HB       PRO   3  -5.664   0.874  -0.831
   15   2HB   PRO   3          1HB       PRO   3  -7.199   1.305  -1.605
   16   1HG   PRO   3          2HG       PRO   3  -6.582   0.972   1.291
   17   2HG   PRO   3          1HG       PRO   3  -7.823   1.972   0.519
   18   1HD   PRO   3          1HD       PRO   3  -8.261  -0.520   1.779
   19   2HD   PRO   3          2HD       PRO   3  -9.400   0.315   0.701
   20    H    CYS   4           H        CYS   4  -4.480  -0.398  -1.479
   21    HA   CYS   4           HA       CYS   4  -3.745  -3.135  -0.652
   22   1HB   CYS   4          2HB       CYS   4  -1.369  -2.222  -1.105
   23   2HB   CYS   4          1HB       CYS   4  -2.402  -2.508  -2.495
   24    H    CYS   5           H        CYS   5  -2.435   0.098   0.253
   25    HA   CYS   5           HA       CYS   5  -1.522  -1.026   2.786
   26   1HB   CYS   5          2HB       CYS   5  -1.334   1.774   1.654
   27   2HB   CYS   5          1HB       CYS   5  -0.596   1.252   3.169
   28    H    ASN   6           H        ASN   6  -4.133  -1.339   2.962
   29    HA   ASN   6           HA       ASN   6  -5.339   1.025   4.287
   30   1HB   ASN   6          2HB       ASN   6  -6.426  -1.104   2.854
   31   2HB   ASN   6          1HB       ASN   6  -6.740  -1.554   4.531
   32   1HD2  ASN   6          2HD2      ASN   6  -8.251   2.111   3.429
   33   2HD2  ASN   6          1HD2      ASN   6  -6.668   1.701   2.976
   34    H    ASP   7           H        ASP   7  -3.765  -1.983   4.834
   35    HA   ASP   7           HA       ASP   7  -3.221  -1.345   7.611
   36   1HB   ASP   7          2HB       ASP   7  -5.059  -3.627   6.854
   37   2HB   ASP   7          1HB       ASP   7  -4.118  -3.649   8.347
   38    H    LYS   8           H        LYS   8  -1.937  -1.959   4.920
   39    HA   LYS   8           HA       LYS   8   0.100  -3.768   5.991
   40   1HB   LYS   8          2HB       LYS   8  -0.088  -5.502   4.395
   41   2HB   LYS   8          1HB       LYS   8  -1.732  -5.221   4.956
   42   1HG   LYS   8          2HG       LYS   8  -1.589  -3.477   2.826
   43   2HG   LYS   8          1HG       LYS   8  -0.563  -4.795   2.260
   44   1HD   LYS   8          2HD       LYS   8  -2.687  -6.162   3.352
   45   2HD   LYS   8          1HD       LYS   8  -3.478  -4.735   2.685
   46   1HE   LYS   8          2HE       LYS   8  -1.867  -5.296   0.617
   47   2HE   LYS   8          1HE       LYS   8  -2.015  -6.922   1.281
   48   1HZ   LYS   8          3HZ       LYS   8  -4.489  -5.424   1.092
   49   2HZ   LYS   8          2HZ       LYS   8  -3.778  -5.833  -0.397
   50   3HZ   LYS   8          1HZ       LYS   8  -4.172  -7.049   0.723
   51    H    CYS   9           H        CYS   9   1.717  -2.177   5.613
   52    HA   CYS   9           HA       CYS   9   1.881  -0.855   3.010
   53   1HB   CYS   9          2HB       CYS   9   3.021  -0.045   5.182
   54   2HB   CYS   9          1HB       CYS   9   4.226  -1.299   4.878
   55    H    VAL  10           H        VAL  10   1.906  -2.355   1.410
   56    HA   VAL  10           HA       VAL  10   3.634  -4.773   1.618
   57    HB   VAL  10           HB       VAL  10   2.268  -5.185  -0.604
   58   1HG1  VAL  10          1HG1      VAL  10   1.306  -5.537   2.237
   59   2HG1  VAL  10          3HG1      VAL  10   0.531  -6.313   0.856
   60   3HG1  VAL  10          2HG1      VAL  10   2.202  -6.700   1.261
   61   1HG2  VAL  10          1HG2      VAL  10   1.136  -2.982  -0.518
   62   2HG2  VAL  10          3HG2      VAL  10  -0.026  -4.304  -0.403
   63   3HG2  VAL  10          2HG2      VAL  10   0.443  -3.420   1.039
   64    H    CYS  11           H        CYS  11   4.615  -1.993   0.874
   65    HA   CYS  11           HA       CYS  11   5.214  -2.349  -1.971
   66   1HB   CYS  11          2HB       CYS  11   4.951  -0.213  -0.356
   67   2HB   CYS  11          1HB       CYS  11   6.700  -0.406  -0.329
   68    H    GLN  12           H        GLN  12   6.750  -2.751   1.152
   69    HA   GLN  12           HA       GLN  12   9.416  -3.054   0.435
   70   1HB   GLN  12          2HB       GLN  12   7.766  -3.850   2.654
   71   2HB   GLN  12          1HB       GLN  12   8.891  -5.149   2.258
   72   1HG   GLN  12          2HG       GLN  12  10.272  -3.916   3.623
   73   2HG   GLN  12          1HG       GLN  12  10.595  -3.079   2.105
   74   1HE2  GLN  12          2HE2      GLN  12   8.199  -1.236   4.901
   75   2HE2  GLN  12          1HE2      GLN  12   8.353  -2.927   4.928
   76    H    GLU  13           H        GLU  13   6.748  -5.021  -0.345
   77    HA   GLU  13           HA       GLU  13   8.616  -6.906  -1.727
   78   1HB   GLU  13          2HB       GLU  13   6.483  -8.489  -1.456
   79   2HB   GLU  13          1HB       GLU  13   7.701  -8.368  -0.186
   80   1HG   GLU  13          2HG       GLU  13   5.450  -6.399  -0.159
   81   2HG   GLU  13          1HG       GLU  13   5.111  -8.051   0.357
   82    H    GLY  14           H        GLY  14   5.197  -7.264  -2.107
   83   1HA   GLY  14          2HA       GLY  14   4.954  -5.460  -4.389
   84   2HA   GLY  14          1HA       GLY  14   5.052  -7.162  -4.854
   85    H    GLY  15           H        GLY  15   3.621  -6.104  -1.846
   86   1HA   GLY  15          2HA       GLY  15   1.112  -7.423  -2.600
   87   2HA   GLY  15          1HA       GLY  15   1.531  -6.821  -1.002
   88    H    CYS  16           H        CYS  16   2.236  -4.161  -2.777
   89    HA   CYS  16           HA       CYS  16   0.001  -2.726  -1.918
   90   1HB   CYS  16          2HB       CYS  16   2.200  -2.287  -3.890
   91   2HB   CYS  16          1HB       CYS  16   0.784  -1.274  -4.015
   92    H    LYS  17           H        LYS  17  -1.075  -1.351  -4.035
   93    HA   LYS  17           HA       LYS  17  -2.162  -3.296  -5.984
   94   1HB   LYS  17          2HB       LYS  17  -3.716  -2.068  -3.739
   95   2HB   LYS  17          1HB       LYS  17  -4.514  -2.241  -5.302
   96   1HG   LYS  17          2HG       LYS  17  -3.080  -4.521  -3.918
   97   2HG   LYS  17          1HG       LYS  17  -4.808  -4.213  -3.738
   98   1HD   LYS  17          2HD       LYS  17  -5.253  -5.164  -5.729
   99   2HD   LYS  17          1HD       LYS  17  -4.049  -4.157  -6.535
  100   1HE   LYS  17          2HE       LYS  17  -3.377  -6.463  -6.811
  101   2HE   LYS  17          1HE       LYS  17  -2.272  -5.714  -5.658
  102   1HZ   LYS  17          1HZ       LYS  17  -4.694  -7.212  -4.836
  103   2HZ   LYS  17          3HZ       LYS  17  -3.170  -7.940  -4.999
  104   3HZ   LYS  17          2HZ       LYS  17  -3.403  -6.703  -3.857
  105    H    ALA  18           H        ALA  18  -4.180  -1.763  -7.074
  106    HA   ALA  18           HA       ALA  18  -2.638   0.473  -8.245
  107   1HB   ALA  18          1HB       ALA  18  -4.265  -1.333  -9.414
  108   2HB   ALA  18          3HB       ALA  18  -5.443  -0.062  -9.087
  109   3HB   ALA  18          2HB       ALA  18  -4.022   0.285 -10.071
  110    H    GLY  19           H        GLY  19  -3.521   0.763  -5.514
  111   1HA   GLY  19          2HA       GLY  19  -4.894   3.332  -5.752
  112   2HA   GLY  19          1HA       GLY  19  -5.847   2.095  -4.922
  113    H    CYS  20           H        CYS  20  -2.453   3.197  -4.932
  114    HA   CYS  20           HA       CYS  20  -2.096   2.458  -2.155
  115   1HB   CYS  20          2HB       CYS  20  -0.346   2.571  -4.067
  116   2HB   CYS  20          1HB       CYS  20  -0.274   4.291  -3.687
  117    H    GLN  21           H        GLN  21  -3.179   3.646  -0.635
  118    HA   GLN  21           HA       GLN  21  -3.329   6.599  -0.932
  119   1HB   GLN  21          2HB       GLN  21  -4.809   4.532   0.580
  120   2HB   GLN  21          1HB       GLN  21  -4.490   6.010   1.488
  121   1HG   GLN  21          2HG       GLN  21  -5.290   6.803  -1.117
  122   2HG   GLN  21          1HG       GLN  21  -6.432   5.569  -0.582
  123   1HE2  GLN  21          2HE2      GLN  21  -8.096   7.857   1.499
  124   2HE2  GLN  21          1HE2      GLN  21  -8.171   6.478   0.513
  125    H    CYS  22           H        CYS  22  -1.972   4.046   1.053
  126    HA   CYS  22           HA       CYS  22  -0.863   5.422   3.204
  127   1HB   CYS  22          2HB       CYS  22  -0.569   3.085   3.225
  128   2HB   CYS  22          1HB       CYS  22  -0.074   3.055   1.545
  129    H    THR  23           H        THR  23   1.176   6.452   3.509
  130    HA   THR  23           HA       THR  23   2.608   7.275   1.021
  131    HB   THR  23           HB       THR  23   3.025   9.424   2.563
  132    HG1  THR  23           HG1      THR  23   1.456   8.213   4.064
  133   1HG2  THR  23          2HG2      THR  23   0.799   8.722   0.683
  134   2HG2  THR  23          1HG2      THR  23   0.835  10.318   1.432
  135   3HG2  THR  23          3HG2      THR  23   2.180   9.786   0.423
  136    H    SER  24           H        SER  24   3.504   5.157   2.241
  137    HA   SER  24           HA       SER  24   5.942   6.078   3.655
  138   1HB   SER  24          2HB       SER  24   5.606   4.842   5.564
  139   2HB   SER  24          1HB       SER  24   3.918   5.150   5.163
  140    HG   SER  24           HG       SER  24   3.687   3.100   4.798
  141    H    CYS  25           H        CYS  25   5.416   5.011   0.937
  142    HA   CYS  25           HA       CYS  25   7.459   3.015   0.938
  143   1HB   CYS  25          2HB       CYS  25   6.153   1.600  -0.668
  144   2HB   CYS  25          1HB       CYS  25   5.687   1.441   1.007
  145    NH1  ARG  26           NH1      ARG  26  13.031   7.248  -0.433
  146    NH2  ARG  26           NH2      ARG  26  11.117   8.392  -0.802
  147    H    ARG  26           H        ARG  26   8.265   2.903  -1.107
  148    HA   ARG  26           HA       ARG  26   8.077   5.396  -2.647
  149   1HB   ARG  26          2HB       ARG  26   9.797   3.089  -3.520
  150   2HB   ARG  26          1HB       ARG  26  10.136   4.816  -3.604
  151   1HG   ARG  26          2HG       ARG  26   9.838   4.047  -0.842
  152   2HG   ARG  26          1HG       ARG  26  11.005   2.982  -1.622
  153   1HD   ARG  26          2HD       ARG  26  12.490   4.654  -1.269
  154   2HD   ARG  26          1HD       ARG  26  11.700   5.451  -2.630
  155    HE   ARG  26           HE       ARG  26  10.281   6.003  -0.186
  156   1HH1  ARG  26          2HH1      ARG  26  13.512   6.379  -0.319
  157   2HH1  ARG  26          1HH1      ARG  26  13.535   8.110  -0.375
  158   1HH2  ARG  26          1HH2      ARG  26  10.131   8.399  -0.971
  159   2HH2  ARG  26          2HH2      ARG  26  11.620   9.254  -0.744
  160    H    CYS  27           H        CYS  27   5.962   5.053  -3.399
  161    HA   CYS  27           HA       CYS  27   5.454   2.691  -5.125
  162   1HB   CYS  27          2HB       CYS  27   3.986   4.110  -3.229
  163   2HB   CYS  27          1HB       CYS  27   3.336   4.677  -4.756
  164    H    SER  28           HN       SER  28   4.428   6.070  -5.206
  165    HA   SER  28           HA       SER  28   5.386   6.282  -8.032
  166   1HB   SER  28          2HB       SER  28   2.874   7.705  -7.418
  167   2HB   SER  28          1HB       SER  28   3.329   6.795  -8.856
  168    HG   SER  28           HG       SER  28   1.768   6.027  -6.879
   
  Start of MODEL           3
 Raw file had  168 H/Q atoms
  Start of MODEL    3
    1   1H    PRO   1          1H        PRO   1 -11.664   7.287   4.301
    2   2H    PRO   1          2H        PRO   1 -10.788   7.862   5.641
    3    HA   PRO   1           HA       PRO   1  -9.652   5.969   5.754
    4   1HB   PRO   1          2HB       PRO   1 -11.696   3.960   5.698
    5   2HB   PRO   1          1HB       PRO   1 -10.796   4.560   7.098
    6   1HG   PRO   1          2HG       PRO   1 -13.536   5.052   6.425
    7   2HG   PRO   1          1HG       PRO   1 -12.629   5.654   7.820
    8   1HD   PRO   1          1HD       PRO   1 -13.496   7.125   5.520
    9   2HD   PRO   1          2HD       PRO   1 -12.587   7.719   6.914
   10    H    GLY   2           H        GLY   2  -8.646   4.629   4.260
   11   1HA   GLY   2          2HA       GLY   2 -10.118   3.527   1.985
   12   2HA   GLY   2          1HA       GLY   2  -9.007   4.826   1.547
   13    HA   PRO   3           HA       PRO   3  -6.695   0.772   1.871
   14   1HB   PRO   3          2HB       PRO   3  -6.220   0.441  -0.816
   15   2HB   PRO   3          1HB       PRO   3  -7.627  -0.240   0.019
   16   1HG   PRO   3          2HG       PRO   3  -7.492   2.098  -1.827
   17   2HG   PRO   3          1HG       PRO   3  -8.854   1.019  -1.480
   18   1HD   PRO   3          1HD       PRO   3  -8.494   3.626  -0.432
   19   2HD   PRO   3          2HD       PRO   3  -9.659   2.417   0.150
   20    H    CYS   4           H        CYS   4  -4.531   0.572   0.010
   21    HA   CYS   4           HA       CYS   4  -3.187   3.218   0.357
   22   1HB   CYS   4          2HB       CYS   4  -1.064   1.710   0.581
   23   2HB   CYS   4          1HB       CYS   4  -2.065   1.972   2.005
   24    H    CYS   5           H        CYS   5  -2.299   0.095  -1.177
   25    HA   CYS   5           HA       CYS   5  -1.141   1.492  -3.430
   26   1HB   CYS   5          2HB       CYS   5  -1.572  -1.460  -2.957
   27   2HB   CYS   5          1HB       CYS   5  -0.578  -0.757  -4.234
   28    H    ASN   6           H        ASN   6  -3.892   2.082  -3.334
   29    HA   ASN   6           HA       ASN   6  -5.140   0.391  -5.422
   30   1HB   ASN   6          2HB       ASN   6  -6.053   2.701  -3.704
   31   2HB   ASN   6          1HB       ASN   6  -6.923   2.329  -5.193
   32   1HD2  ASN   6          2HD2      ASN   6  -8.744  -0.192  -3.557
   33   2HD2  ASN   6          1HD2      ASN   6  -8.727   1.081  -4.680
   34    H    ASP   7           H        ASP   7  -3.338   3.244  -4.871
   35    HA   ASP   7           HA       ASP   7  -2.950   3.663  -7.737
   36   1HB   ASP   7          2HB       ASP   7  -4.535   5.492  -6.012
   37   2HB   ASP   7          1HB       ASP   7  -3.326   6.261  -7.042
   38    H    LYS   8           H        LYS   8  -1.563   3.064  -4.939
   39    HA   LYS   8           HA       LYS   8   0.863   4.536  -5.611
   40   1HB   LYS   8          2HB       LYS   8   1.019   5.975  -3.781
   41   2HB   LYS   8          1HB       LYS   8  -0.688   6.082  -4.192
   42   1HG   LYS   8          2HG       LYS   8  -0.850   4.047  -2.441
   43   2HG   LYS   8          1HG       LYS   8   0.614   4.800  -1.811
   44   1HD   LYS   8          2HD       LYS   8  -1.699   6.580  -2.461
   45   2HD   LYS   8          1HD       LYS   8  -1.808   5.581  -1.011
   46   1HE   LYS   8          2HE       LYS   8   0.041   6.607  -0.005
   47   2HE   LYS   8          1HE       LYS   8   0.682   7.182  -1.544
   48   1HZ   LYS   8          2HZ       LYS   8  -1.280   8.657  -1.696
   49   2HZ   LYS   8          1HZ       LYS   8  -1.722   8.187  -0.124
   50   3HZ   LYS   8          3HZ       LYS   8  -0.266   9.017  -0.382
   51    H    CYS   9           H        CYS   9   2.383   2.923  -5.415
   52    HA   CYS   9           HA       CYS   9   2.071   0.851  -3.323
   53   1HB   CYS   9          2HB       CYS   9   3.147   0.443  -5.638
   54   2HB   CYS   9          1HB       CYS   9   4.541   1.327  -5.013
   55    H    VAL  10           H        VAL  10   2.288   1.845  -1.376
   56    HA   VAL  10           HA       VAL  10   4.474   3.834  -0.940
   57    HB   VAL  10           HB       VAL  10   2.986   3.949   1.270
   58   1HG1  VAL  10          3HG1      VAL  10   3.113   5.399  -1.277
   59   2HG1  VAL  10          2HG1      VAL  10   1.618   5.672  -0.382
   60   3HG1  VAL  10          1HG1      VAL  10   3.174   6.025   0.370
   61   1HG2  VAL  10          3HG2      VAL  10   1.079   3.212  -0.963
   62   2HG2  VAL  10          2HG2      VAL  10   1.359   2.286   0.508
   63   3HG2  VAL  10          1HG2      VAL  10   0.589   3.869   0.598
   64    H    CYS  11           H        CYS  11   4.792   0.807  -0.830
   65    HA   CYS  11           HA       CYS  11   5.133   0.332   2.032
   66   1HB   CYS  11          2HB       CYS  11   4.722  -1.239  -0.104
   67   2HB   CYS  11          1HB       CYS  11   6.471  -1.372   0.032
   68    H    GLN  12           H        GLN  12   7.119   1.223  -0.722
   69    HA   GLN  12           HA       GLN  12   9.681   0.794   0.271
   70   1HB   GLN  12          2HB       GLN  12  10.427   2.680  -1.113
   71   2HB   GLN  12          1HB       GLN  12   9.212   1.743  -1.985
   72   1HG   GLN  12          2HG       GLN  12   7.468   3.329  -1.305
   73   2HG   GLN  12          1HG       GLN  12   8.649   4.252  -0.377
   74   1HE2  GLN  12          2HE2      GLN  12   8.560   4.602  -4.454
   75   2HE2  GLN  12          1HE2      GLN  12   7.677   3.372  -3.687
   76    H    GLU  13           H        GLU  13   7.303   3.006   1.287
   77    HA   GLU  13           HA       GLU  13   9.217   4.098   3.313
   78   1HB   GLU  13          2HB       GLU  13   6.993   5.393   1.759
   79   2HB   GLU  13          1HB       GLU  13   7.375   5.993   3.374
   80   1HG   GLU  13          2HG       GLU  13   9.545   6.625   2.762
   81   2HG   GLU  13          1HG       GLU  13   9.554   5.571   1.348
   82    H    GLY  14           H        GLY  14   5.892   4.860   3.564
   83   1HA   GLY  14          2HA       GLY  14   5.106   2.548   5.152
   84   2HA   GLY  14          1HA       GLY  14   5.386   4.002   6.119
   85    H    GLY  15           H        GLY  15   4.339   4.326   2.843
   86   1HA   GLY  15          2HA       GLY  15   1.964   5.767   3.683
   87   2HA   GLY  15          1HA       GLY  15   2.481   5.497   2.025
   88    H    CYS  16           H        CYS  16   2.518   2.408   3.097
   89    HA   CYS  16           HA       CYS  16   0.174   1.680   1.754
   90   1HB   CYS  16          2HB       CYS  16   2.059   0.349   3.644
   91   2HB   CYS  16          1HB       CYS  16   0.481  -0.366   3.432
   92    H    LYS  17           H        LYS  17  -1.329   0.068   3.405
   93    HA   LYS  17           HA       LYS  17  -2.189   1.562   5.777
   94   1HB   LYS  17          2HB       LYS  17  -3.625   1.729   3.171
   95   2HB   LYS  17          1HB       LYS  17  -4.615   1.542   4.618
   96   1HG   LYS  17          2HG       LYS  17  -3.226   3.457   5.620
   97   2HG   LYS  17          1HG       LYS  17  -2.652   3.746   3.978
   98   1HD   LYS  17          2HD       LYS  17  -5.042   3.918   3.235
   99   2HD   LYS  17          1HD       LYS  17  -5.529   3.802   4.926
  100   1HE   LYS  17          2HE       LYS  17  -3.478   5.849   4.170
  101   2HE   LYS  17          1HE       LYS  17  -5.170   6.171   3.789
  102   1HZ   LYS  17          3HZ       LYS  17  -4.815   5.138   6.433
  103   2HZ   LYS  17          2HZ       LYS  17  -3.964   6.589   6.193
  104   3HZ   LYS  17          1HZ       LYS  17  -5.640   6.528   5.918
  105    H    ALA  18           H        ALA  18  -4.710   0.463   6.126
  106    HA   ALA  18           HA       ALA  18  -4.020  -2.372   6.571
  107   1HB   ALA  18          3HB       ALA  18  -5.408  -0.553   8.075
  108   2HB   ALA  18          2HB       ALA  18  -6.723  -1.441   7.306
  109   3HB   ALA  18          1HB       ALA  18  -5.526  -2.301   8.274
  110    H    GLY  19           H        GLY  19  -4.407  -1.611   3.843
  111   1HA   GLY  19          2HA       GLY  19  -6.447  -3.575   3.092
  112   2HA   GLY  19          1HA       GLY  19  -6.813  -1.923   2.580
  113    H    CYS  20           H        CYS  20  -3.920  -4.012   2.684
  114    HA   CYS  20           HA       CYS  20  -2.857  -2.760   0.280
  115   1HB   CYS  20          2HB       CYS  20  -1.601  -3.745   2.342
  116   2HB   CYS  20          1HB       CYS  20  -1.791  -5.282   1.503
  117    H    GLN  21           H        GLN  21  -4.295  -3.294  -1.432
  118    HA   GLN  21           HA       GLN  21  -4.900  -6.124  -1.979
  119   1HB   GLN  21          2HB       GLN  21  -5.829  -3.529  -2.930
  120   2HB   GLN  21          1HB       GLN  21  -5.462  -4.608  -4.277
  121   1HG   GLN  21          2HG       GLN  21  -7.398  -5.689  -3.909
  122   2HG   GLN  21          1HG       GLN  21  -6.807  -6.162  -2.316
  123   1HE2  GLN  21          2HE2      GLN  21  -9.717  -3.397  -2.585
  124   2HE2  GLN  21          1HE2      GLN  21  -9.176  -4.288  -3.925
  125    H    CYS  22           H        CYS  22  -2.734  -3.580  -3.016
  126    HA   CYS  22           HA       CYS  22  -1.589  -4.648  -5.340
  127   1HB   CYS  22          2HB       CYS  22  -0.878  -2.477  -4.722
  128   2HB   CYS  22          1HB       CYS  22  -0.601  -2.962  -3.060
  129    H    THR  23           H        THR  23   0.428  -5.859  -5.577
  130    HA   THR  23           HA       THR  23   1.268  -7.489  -3.243
  131    HB   THR  23           HB       THR  23  -0.480  -8.774  -4.571
  132    HG1  THR  23           HG1      THR  23   1.306  -9.733  -3.377
  133   1HG2  THR  23          1HG2      THR  23   1.168  -7.846  -6.723
  134   2HG2  THR  23          3HG2      THR  23   1.209  -9.609  -6.704
  135   3HG2  THR  23          2HG2      THR  23  -0.335  -8.764  -6.812
  136    H    SER  24           H        SER  24   2.753  -5.456  -4.054
  137    HA   SER  24           HA       SER  24   4.925  -6.739  -5.631
  138   1HB   SER  24          2HB       SER  24   3.417  -4.289  -6.270
  139   2HB   SER  24          1HB       SER  24   5.168  -4.112  -6.350
  140    HG   SER  24           HG       SER  24   4.284  -4.863  -8.324
  141    H    CYS  25           H        CYS  25   4.087  -5.236  -2.725
  142    HA   CYS  25           HA       CYS  25   6.797  -4.174  -2.397
  143   1HB   CYS  25          2HB       CYS  25   5.664  -3.262  -0.232
  144   2HB   CYS  25          1HB       CYS  25   5.394  -2.437  -1.743
  145    NH1  ARG  26           NH1      ARG  26  13.000  -7.525   3.318
  146    NH2  ARG  26           NH2      ARG  26  13.071  -5.522   2.270
  147    H    ARG  26           H        ARG  26   6.655  -4.417   0.303
  148    HA   ARG  26           HA       ARG  26   6.702  -7.354   0.814
  149   1HB   ARG  26          2HB       ARG  26   8.731  -5.285   1.280
  150   2HB   ARG  26          1HB       ARG  26   8.300  -6.124   2.771
  151   1HG   ARG  26          2HG       ARG  26   8.516  -8.277   1.246
  152   2HG   ARG  26          1HG       ARG  26   9.536  -7.219   0.269
  153   1HD   ARG  26          2HD       ARG  26  10.088  -7.068   3.157
  154   2HD   ARG  26          1HD       ARG  26  10.407  -8.652   2.449
  155    HE   ARG  26           HE       ARG  26  11.642  -7.008   0.664
  156   1HH1  ARG  26          2HH1      ARG  26  12.595  -8.433   3.423
  157   2HH1  ARG  26          1HH1      ARG  26  13.757  -7.243   3.908
  158   1HH2  ARG  26          1HH2      ARG  26  12.719  -4.897   1.574
  159   2HH2  ARG  26          2HH2      ARG  26  13.827  -5.240   2.860
  160    H    CYS  27           H        CYS  27   4.551  -7.319   1.578
  161    HA   CYS  27           HA       CYS  27   4.031  -5.373   3.791
  162   1HB   CYS  27          2HB       CYS  27   2.725  -5.902   1.379
  163   2HB   CYS  27          1HB       CYS  27   1.738  -6.707   2.585
  164    H    SER  28           HN       SER  28   2.488  -8.366   2.715
  165    HA   SER  28           HA       SER  28   2.593  -9.358   5.536
  166   1HB   SER  28          2HB       SER  28   0.831 -10.414   3.318
  167   2HB   SER  28          1HB       SER  28   0.652 -10.665   5.053
  168    HG   SER  28           HG       SER  28  -0.054  -8.632   5.285
   
  Start of MODEL           4
 Raw file had  168 H/Q atoms
  Start of MODEL    4
    1   1H    PRO   1          1H        PRO   1  13.903  -1.411  -1.094
    2   2H    PRO   1          2H        PRO   1  14.378  -0.027  -1.960
    3    HA   PRO   1           HA       PRO   1  12.886  -0.461  -3.531
    4   1HB   PRO   1          2HB       PRO   1  13.396  -3.207  -4.188
    5   2HB   PRO   1          1HB       PRO   1  13.892  -1.762  -5.082
    6   1HG   PRO   1          2HG       PRO   1  15.537  -3.524  -3.539
    7   2HG   PRO   1          1HG       PRO   1  16.025  -2.067  -4.417
    8   1HD   PRO   1          1HD       PRO   1  15.802  -2.424  -1.580
    9   2HD   PRO   1          2HD       PRO   1  16.306  -0.979  -2.462
   10    H    GLY   2           H        GLY   2  11.655  -0.620  -1.214
   11   1HA   GLY   2          2HA       GLY   2   9.794  -2.904  -1.544
   12   2HA   GLY   2          1HA       GLY   2  10.560  -2.709   0.032
   13    HA   PRO   3           HA       PRO   3   7.487   0.928  -0.751
   14   1HB   PRO   3          2HB       PRO   3   5.371   0.200  -2.351
   15   2HB   PRO   3          1HB       PRO   3   6.833   0.994  -2.961
   16   1HG   PRO   3          2HG       PRO   3   6.000  -1.859  -3.219
   17   2HG   PRO   3          1HG       PRO   3   7.047  -0.895  -4.273
   18   1HD   PRO   3          1HD       PRO   3   7.919  -2.798  -2.368
   19   2HD   PRO   3          2HD       PRO   3   8.940  -1.594  -3.184
   20    H    CYS   4           H        CYS   4   4.673   0.676  -0.609
   21    HA   CYS   4           HA       CYS   4   4.449  -0.943   1.848
   22   1HB   CYS   4          2HB       CYS   4   2.041   0.006   1.792
   23   2HB   CYS   4          1HB       CYS   4   3.333   1.130   2.177
   24    H    CYS   5           H        CYS   5   2.422  -0.619  -1.113
   25    HA   CYS   5           HA       CYS   5   1.288  -3.265  -0.570
   26   1HB   CYS   5          2HB       CYS   5   0.738  -1.234  -2.736
   27   2HB   CYS   5          1HB       CYS   5  -0.113  -2.773  -2.580
   28    H    ASN   6           H        ASN   6   3.869  -3.752  -1.016
   29    HA   ASN   6           HA       ASN   6   4.239  -4.387  -3.888
   30   1HB   ASN   6          2HB       ASN   6   6.453  -5.219  -3.179
   31   2HB   ASN   6          1HB       ASN   6   6.195  -3.594  -2.545
   32   1HD2  ASN   6          2HD2      ASN   6   6.495  -4.625   0.801
   33   2HD2  ASN   6          1HD2      ASN   6   6.458  -3.348  -0.316
   34    H    ASP   7           H        ASP   7   3.317  -5.699  -0.845
   35    HA   ASP   7           HA       ASP   7   2.238  -8.097  -2.074
   36   1HB   ASP   7          2HB       ASP   7   4.808  -8.159  -0.617
   37   2HB   ASP   7          1HB       ASP   7   3.616  -9.322  -0.035
   38    H    LYS   8           H        LYS   8   1.533  -5.638  -0.394
   39    HA   LYS   8           HA       LYS   8  -0.191  -7.084   1.485
   40   1HB   LYS   8          2HB       LYS   8   0.593  -6.060   3.491
   41   2HB   LYS   8          1HB       LYS   8   1.992  -6.770   2.690
   42   1HG   LYS   8          2HG       LYS   8   1.805  -4.145   1.655
   43   2HG   LYS   8          1HG       LYS   8   1.505  -3.975   3.384
   44   1HD   LYS   8          2HD       LYS   8   3.755  -5.757   2.538
   45   2HD   LYS   8          1HD       LYS   8   3.988  -4.014   2.396
   46   1HE   LYS   8          2HE       LYS   8   4.673  -4.300   4.581
   47   2HE   LYS   8          1HE       LYS   8   2.949  -4.044   4.853
   48   1HZ   LYS   8          1HZ       LYS   8   2.988  -6.660   4.412
   49   2HZ   LYS   8          3HZ       LYS   8   4.527  -6.472   5.097
   50   3HZ   LYS   8          2HZ       LYS   8   3.149  -5.977   5.959
   51    H    CYS   9           H        CYS   9  -1.910  -6.021   0.252
   52    HA   CYS   9           HA       CYS   9  -2.048  -3.144   0.015
   53   1HB   CYS   9          2HB       CYS   9  -3.628  -4.887  -1.081
   54   2HB   CYS   9          1HB       CYS   9  -4.479  -4.887   0.467
   55    H    VAL  10           H        VAL  10  -1.530  -2.113   1.886
   56    HA   VAL  10           HA       VAL  10  -2.732  -3.000   4.472
   57    HB   VAL  10           HB       VAL  10  -0.956  -1.254   5.259
   58   1HG1  VAL  10          1HG1      VAL  10  -0.645  -4.098   4.403
   59   2HG1  VAL  10          3HG1      VAL  10   0.788  -3.230   4.956
   60   3HG1  VAL  10          2HG1      VAL  10  -0.601  -3.411   6.027
   61   1HG2  VAL  10          3HG2      VAL  10  -0.403  -0.521   2.947
   62   2HG2  VAL  10          2HG2      VAL  10   1.005  -1.160   3.795
   63   3HG2  VAL  10          1HG2      VAL  10   0.177  -2.146   2.602
   64    H    CYS  11           H        CYS  11  -4.125  -1.270   2.407
   65    HA   CYS  11           HA       CYS  11  -4.151   1.328   3.774
   66   1HB   CYS  11          2HB       CYS  11  -4.593   0.531   1.237
   67   2HB   CYS  11          1HB       CYS  11  -6.247   0.602   1.833
   68    H    GLN  12           H        GLN  12  -6.084  -1.585   3.508
   69    HA   GLN  12           HA       GLN  12  -8.482  -0.781   4.654
   70   1HB   GLN  12          2HB       GLN  12  -7.363  -3.211   4.000
   71   2HB   GLN  12          1HB       GLN  12  -7.524  -3.322   5.753
   72   1HG   GLN  12          2HG       GLN  12  -9.921  -2.152   4.867
   73   2HG   GLN  12          1HG       GLN  12  -9.587  -3.453   3.723
   74   1HE2  GLN  12          2HE2      GLN  12 -11.404  -5.027   6.544
   75   2HE2  GLN  12          1HE2      GLN  12 -11.762  -3.902   5.325
   76    H    GLU  13           H        GLU  13  -5.403  -1.015   6.092
   77    HA   GLU  13           HA       GLU  13  -6.643  -0.265   8.711
   78   1HB   GLU  13          2HB       GLU  13  -4.353  -1.267   9.596
   79   2HB   GLU  13          1HB       GLU  13  -5.722  -2.327   9.257
   80   1HG   GLU  13          2HG       GLU  13  -3.838  -1.698   7.020
   81   2HG   GLU  13          1HG       GLU  13  -3.318  -2.849   8.252
   82    H    GLY  14           H        GLY  14  -3.206  -0.309   8.374
   83   1HA   GLY  14          2HA       GLY  14  -2.954   2.451   7.461
   84   2HA   GLY  14          1HA       GLY  14  -2.654   2.260   9.192
   85    H    GLY  15           H        GLY  15  -1.944  -0.223   6.832
   86   1HA   GLY  15          2HA       GLY  15   0.857  -0.212   7.711
   87   2HA   GLY  15          1HA       GLY  15   0.084  -1.451   6.735
   88    H    CYS  16           H        CYS  16  -0.875   1.084   4.972
   89    HA   CYS  16           HA       CYS  16   0.970   0.679   2.913
   90   1HB   CYS  16          2HB       CYS  16  -1.030   2.805   3.600
   91   2HB   CYS  16          1HB       CYS  16   0.169   3.149   2.383
   92    H    LYS  17           H        LYS  17   2.000   3.075   2.099
   93    HA   LYS  17           HA       LYS  17   3.538   4.258   4.334
   94   1HB   LYS  17          2HB       LYS  17   5.684   3.790   3.421
   95   2HB   LYS  17          1HB       LYS  17   4.817   2.257   3.349
   96   1HG   LYS  17          2HG       LYS  17   5.176   2.185   1.134
   97   2HG   LYS  17          1HG       LYS  17   4.224   3.657   0.950
   98   1HD   LYS  17          2HD       LYS  17   6.070   4.946   0.664
   99   2HD   LYS  17          1HD       LYS  17   6.933   4.145   1.975
  100   1HE   LYS  17          2HE       LYS  17   6.510   2.490  -0.439
  101   2HE   LYS  17          1HE       LYS  17   7.590   3.868  -0.654
  102   1HZ   LYS  17          2HZ       LYS  17   8.831   3.126   1.302
  103   2HZ   LYS  17          1HZ       LYS  17   7.823   1.764   1.428
  104   3HZ   LYS  17          3HZ       LYS  17   8.827   1.952   0.075
  105    H    ALA  18           H        ALA  18   5.257   5.873   2.912
  106    HA   ALA  18           HA       ALA  18   3.352   7.712   1.620
  107   1HB   ALA  18          3HB       ALA  18   5.745   7.996   3.112
  108   2HB   ALA  18          2HB       ALA  18   6.079   8.631   1.500
  109   3HB   ALA  18          1HB       ALA  18   4.737   9.280   2.444
  110    H    GLY  19           H        GLY  19   3.898   5.291   0.160
  111   1HA   GLY  19          2HA       GLY  19   4.654   6.460  -2.406
  112   2HA   GLY  19          1HA       GLY  19   5.798   5.246  -1.823
  113    H    CYS  20           H        CYS  20   2.244   5.602  -1.982
  114    HA   CYS  20           HA       CYS  20   1.874   2.741  -2.228
  115   1HB   CYS  20          2HB       CYS  20   0.263   4.499  -1.235
  116   2HB   CYS  20          1HB       CYS  20  -0.201   4.810  -2.908
  117    H    GLN  21           H        GLN  21   2.271   1.643  -4.056
  118    HA   GLN  21           HA       GLN  21   1.896   3.016  -6.679
  119   1HB   GLN  21          2HB       GLN  21   3.668   0.853  -5.689
  120   2HB   GLN  21          1HB       GLN  21   2.978   0.578  -7.289
  121   1HG   GLN  21          2HG       GLN  21   3.921   2.574  -8.162
  122   2HG   GLN  21          1HG       GLN  21   4.271   3.206  -6.552
  123   1HE2  GLN  21          2HE2      GLN  21   6.620   0.009  -7.631
  124   2HE2  GLN  21          1HE2      GLN  21   4.939  -0.079  -7.855
  125    H    CYS  22           H        CYS  22   0.928   0.285  -4.691
  126    HA   CYS  22           HA       CYS  22  -0.621  -1.245  -6.430
  127   1HB   CYS  22          2HB       CYS  22  -0.474  -2.090  -4.249
  128   2HB   CYS  22          1HB       CYS  22  -0.724  -0.515  -3.532
  129    H    THR  23           H        THR  23  -2.813  -1.112  -7.087
  130    HA   THR  23           HA       THR  23  -4.133   1.543  -6.689
  131    HB   THR  23           HB       THR  23  -3.261   1.270  -9.021
  132    HG1  THR  23           HG1      THR  23  -6.053   0.991  -9.119
  133   1HG2  THR  23          2HG2      THR  23  -4.157  -1.370  -8.654
  134   2HG2  THR  23          1HG2      THR  23  -5.227  -0.676  -9.872
  135   3HG2  THR  23          3HG2      THR  23  -3.482  -0.675 -10.128
  136    H    SER  24           H        SER  24  -4.731  -0.228  -4.850
  137    HA   SER  24           HA       SER  24  -7.348  -1.356  -5.714
  138   1HB   SER  24          2HB       SER  24  -5.147  -2.930  -5.195
  139   2HB   SER  24          1HB       SER  24  -5.975  -2.918  -3.641
  140    HG   SER  24           HG       SER  24  -7.914  -3.271  -5.175
  141    H    CYS  25           H        CYS  25  -5.642   0.565  -3.427
  142    HA   CYS  25           HA       CYS  25  -7.830   0.231  -1.505
  143   1HB   CYS  25          2HB       CYS  25  -6.160   1.572  -0.034
  144   2HB   CYS  25          1HB       CYS  25  -5.868  -0.129  -0.283
  145    NH1  ARG  26           NH1      ARG  26 -12.629   8.294  -2.411
  146    NH2  ARG  26           NH2      ARG  26 -13.993   7.713  -0.706
  147    H    ARG  26           H        ARG  26  -7.303   2.663  -0.396
  148    HA   ARG  26           HA       ARG  26  -8.088   4.654  -2.470
  149   1HB   ARG  26          2HB       ARG  26  -9.490   3.851  -0.072
  150   2HB   ARG  26          1HB       ARG  26  -8.948   5.518   0.118
  151   1HG   ARG  26          2HG       ARG  26  -9.907   5.939  -2.221
  152   2HG   ARG  26          1HG       ARG  26 -10.699   4.370  -2.063
  153   1HD   ARG  26          2HD       ARG  26 -11.735   5.164   0.073
  154   2HD   ARG  26          1HD       ARG  26 -11.038   6.757  -0.223
  155    HE   ARG  26           HE       ARG  26 -12.943   5.512  -2.164
  156   1HH1  ARG  26          2HH1      ARG  26 -11.915   8.055  -3.070
  157   2HH1  ARG  26          1HH1      ARG  26 -13.011   9.219  -2.402
  158   1HH2  ARG  26          1HH2      ARG  26 -14.326   7.028  -0.057
  159   2HH2  ARG  26          2HH2      ARG  26 -14.376   8.637  -0.696
  160    H    CYS  27           H        CYS  27  -5.922   5.350  -2.699
  161    HA   CYS  27           HA       CYS  27  -4.609   6.192  -0.143
  162   1HB   CYS  27          2HB       CYS  27  -3.843   4.426  -2.167
  163   2HB   CYS  27          1HB       CYS  27  -2.919   5.881  -2.496
  164    H    SER  28           HN       SER  28  -4.011   6.865  -3.563
  165    HA   SER  28           HA       SER  28  -4.509   9.767  -3.080
  166   1HB   SER  28          2HB       SER  28  -2.242   9.554  -4.792
  167   2HB   SER  28          1HB       SER  28  -2.323  10.275  -3.187
  168    HG   SER  28           HG       SER  28  -1.727   8.371  -2.297
   
  Start of MODEL           5
 Raw file had  168 H/Q atoms
  Start of MODEL    5
    1   1H    PRO   1          1H        PRO   1  14.017   2.506   0.024
    2   2H    PRO   1          2H        PRO   1  15.412   1.548   0.192
    3    HA   PRO   1           HA       PRO   1  14.316  -0.234  -0.521
    4   1HB   PRO   1          2HB       PRO   1  11.946  -0.251   1.092
    5   2HB   PRO   1          1HB       PRO   1  13.399  -1.242   1.281
    6   1HG   PRO   1          2HG       PRO   1  12.534   0.947   2.915
    7   2HG   PRO   1          1HG       PRO   1  13.986  -0.047   3.100
    8   1HD   PRO   1          1HD       PRO   1  13.821   2.671   2.216
    9   2HD   PRO   1          2HD       PRO   1  15.266   1.670   2.392
   10    H    GLY   2           H        GLY   2  11.654  -0.880  -0.907
   11   1HA   GLY   2          2HA       GLY   2  10.446   1.472  -2.273
   12   2HA   GLY   2          1HA       GLY   2  10.746   0.009  -3.212
   13    HA   PRO   3           HA       PRO   3   7.374  -1.132  -0.003
   14   1HB   PRO   3          2HB       PRO   3   6.423   0.923   1.557
   15   2HB   PRO   3          1HB       PRO   3   7.777  -0.118   2.031
   16   1HG   PRO   3          2HG       PRO   3   7.828   2.704   1.065
   17   2HG   PRO   3          1HG       PRO   3   8.978   1.855   2.110
   18   1HD   PRO   3          1HD       PRO   3   9.333   2.395  -0.645
   19   2HD   PRO   3          2HD       PRO   3  10.299   1.267   0.331
   20    H    CYS   4           H        CYS   4   4.923   0.157   0.539
   21    HA   CYS   4           HA       CYS   4   4.236   1.334  -2.125
   22   1HB   CYS   4          2HB       CYS   4   1.901   0.298  -1.568
   23   2HB   CYS   4          1HB       CYS   4   3.135  -0.748  -2.259
   24    H    CYS   5           H        CYS   5   2.614   0.932   1.061
   25    HA   CYS   5           HA       CYS   5   1.386   3.550   0.779
   26   1HB   CYS   5          2HB       CYS   5   1.334   1.564   3.057
   27   2HB   CYS   5          1HB       CYS   5   0.345   3.021   2.955
   28    H    ASN   6           H        ASN   6   4.130   3.948   0.830
   29    HA   ASN   6           HA       ASN   6   4.799   4.754   3.602
   30   1HB   ASN   6          2HB       ASN   6   6.475   3.819   1.786
   31   2HB   ASN   6          1HB       ASN   6   6.438   5.474   1.174
   32   1HD2  ASN   6          2HD2      ASN   6   9.128   5.112   3.818
   33   2HD2  ASN   6          1HD2      ASN   6   8.787   4.241   2.402
   34    H    ASP   7           H        ASP   7   3.478   5.861   0.656
   35    HA   ASP   7           HA       ASP   7   2.731   8.419   1.826
   36   1HB   ASP   7          2HB       ASP   7   5.119   8.482   0.554
   37   2HB   ASP   7          1HB       ASP   7   4.048   8.709  -0.829
   38    H    LYS   8           H        LYS   8   1.698   5.790   0.470
   39    HA   LYS   8           HA       LYS   8  -0.448   7.122  -0.991
   40   1HB   LYS   8          2HB       LYS   8  -0.064   6.234  -3.152
   41   2HB   LYS   8          1HB       LYS   8   1.501   6.855  -2.639
   42   1HG   LYS   8          2HG       LYS   8   1.635   4.279  -1.700
   43   2HG   LYS   8          1HG       LYS   8   0.658   4.051  -3.149
   44   1HD   LYS   8          2HD       LYS   8   3.287   5.567  -3.099
   45   2HD   LYS   8          1HD       LYS   8   3.133   3.869  -3.554
   46   1HE   LYS   8          2HE       LYS   8   1.905   4.366  -5.492
   47   2HE   LYS   8          1HE       LYS   8   1.436   5.960  -4.900
   48   1HZ   LYS   8          3HZ       LYS   8   4.286   5.539  -5.144
   49   2HZ   LYS   8          2HZ       LYS   8   3.441   5.515  -6.618
   50   3HZ   LYS   8          1HZ       LYS   8   3.342   6.872  -5.601
   51    H    CYS   9           H        CYS   9  -2.111   6.044   0.138
   52    HA   CYS   9           HA       CYS   9  -1.905   3.154   0.648
   53   1HB   CYS   9          2HB       CYS   9  -3.359   4.801   2.003
   54   2HB   CYS   9          1HB       CYS   9  -4.472   4.765   0.633
   55    H    VAL  10           H        VAL  10  -1.702   2.061  -1.238
   56    HA   VAL  10           HA       VAL  10  -3.408   2.784  -3.583
   57    HB   VAL  10           HB       VAL  10  -1.680   1.029  -4.560
   58   1HG1  VAL  10          2HG1      VAL  10  -2.075   3.373  -5.306
   59   2HG1  VAL  10          1HG1      VAL  10  -0.989   3.924  -4.030
   60   3HG1  VAL  10          3HG1      VAL  10  -0.369   2.930  -5.347
   61   1HG2  VAL  10          2HG2      VAL  10  -0.580   0.685  -2.358
   62   2HG2  VAL  10          1HG2      VAL  10   0.540   1.338  -3.554
   63   3HG2  VAL  10          3HG2      VAL  10  -0.157   2.393  -2.331
   64    H    CYS  11           H        CYS  11  -4.277   1.056  -1.240
   65    HA   CYS  11           HA       CYS  11  -4.374  -1.595  -2.489
   66   1HB   CYS  11          2HB       CYS  11  -4.429  -0.702   0.051
   67   2HB   CYS  11          1HB       CYS  11  -6.151  -0.899  -0.248
   68    H    GLN  12           H        GLN  12  -6.425   1.213  -2.031
   69    HA   GLN  12           HA       GLN  12  -8.925   0.200  -2.695
   70   1HB   GLN  12          2HB       GLN  12  -8.748   2.525  -2.108
   71   2HB   GLN  12          1HB       GLN  12  -7.663   2.831  -3.464
   72   1HG   GLN  12          2HG       GLN  12  -9.816   3.629  -4.142
   73   2HG   GLN  12          1HG       GLN  12  -9.568   2.104  -4.993
   74   1HE2  GLN  12          2HE2      GLN  12 -12.969   2.106  -3.352
   75   2HE2  GLN  12          1HE2      GLN  12 -12.203   3.165  -4.435
   76    H    GLU  13           H        GLU  13  -6.150   0.530  -4.639
   77    HA   GLU  13           HA       GLU  13  -7.722  -0.507  -6.966
   78   1HB   GLU  13          2HB       GLU  13  -5.400   1.430  -6.905
   79   2HB   GLU  13          1HB       GLU  13  -5.836   0.541  -8.366
   80   1HG   GLU  13          2HG       GLU  13  -8.042   1.928  -6.922
   81   2HG   GLU  13          1HG       GLU  13  -6.892   2.945  -7.792
   82    H    GLY  14           H        GLY  14  -4.282  -0.256  -7.168
   83   1HA   GLY  14          2HA       GLY  14  -3.710  -2.906  -6.087
   84   2HA   GLY  14          1HA       GLY  14  -3.685  -2.854  -7.854
   85    H    GLY  15           H        GLY  15  -2.843  -0.059  -5.976
   86   1HA   GLY  15          2HA       GLY  15  -0.211   0.019  -7.230
   87   2HA   GLY  15          1HA       GLY  15  -0.910   1.262  -6.203
   88    H    CYS  16           H        CYS  16  -1.355  -1.276  -4.212
   89    HA   CYS  16           HA       CYS  16   0.719  -0.584  -2.481
   90   1HB   CYS  16          2HB       CYS  16  -1.137  -2.912  -2.760
   91   2HB   CYS  16          1HB       CYS  16   0.279  -3.110  -1.762
   92    H    LYS  17           H        LYS  17   2.162  -2.785  -1.770
   93    HA   LYS  17           HA       LYS  17   3.478  -3.881  -4.183
   94   1HB   LYS  17          2HB       LYS  17   4.833  -2.079  -2.165
   95   2HB   LYS  17          1HB       LYS  17   5.737  -3.184  -3.200
   96   1HG   LYS  17          2HG       LYS  17   3.742  -1.258  -4.382
   97   2HG   LYS  17          1HG       LYS  17   5.389  -0.743  -4.025
   98   1HD   LYS  17          2HD       LYS  17   6.322  -2.369  -5.508
   99   2HD   LYS  17          1HD       LYS  17   4.779  -3.210  -5.666
  100   1HE   LYS  17          2HE       LYS  17   4.468  -1.968  -7.531
  101   2HE   LYS  17          1HE       LYS  17   4.157  -0.622  -6.435
  102   1HZ   LYS  17          3HZ       LYS  17   6.623  -0.253  -6.443
  103   2HZ   LYS  17          2HZ       LYS  17   6.718  -1.359  -7.729
  104   3HZ   LYS  17          1HZ       LYS  17   5.836   0.082  -7.908
  105    H    ALA  18           H        ALA  18   5.680  -5.041  -2.982
  106    HA   ALA  18           HA       ALA  18   4.379  -7.061  -1.264
  107   1HB   ALA  18          3HB       ALA  18   6.539  -7.044  -3.150
  108   2HB   ALA  18          2HB       ALA  18   7.158  -7.598  -1.595
  109   3HB   ALA  18          1HB       ALA  18   5.798  -8.429  -2.348
  110    H    GLY  19           H        GLY  19   4.749  -4.468  -0.100
  111   1HA   GLY  19          2HA       GLY  19   6.189  -5.245   2.322
  112   2HA   GLY  19          1HA       GLY  19   6.948  -3.910   1.446
  113    H    CYS  20           H        CYS  20   3.629  -4.872   2.347
  114    HA   CYS  20           HA       CYS  20   2.786  -2.099   2.539
  115   1HB   CYS  20          2HB       CYS  20   1.398  -4.206   1.908
  116   2HB   CYS  20          1HB       CYS  20   1.255  -4.433   3.650
  117    H    GLN  21           H        GLN  21   3.343  -0.862   4.244
  118    HA   GLN  21           HA       GLN  21   3.591  -2.140   6.933
  119   1HB   GLN  21          2HB       GLN  21   4.532   0.294   7.422
  120   2HB   GLN  21          1HB       GLN  21   5.562  -0.916   6.658
  121   1HG   GLN  21          2HG       GLN  21   5.083  -0.016   4.456
  122   2HG   GLN  21          1HG       GLN  21   3.896   1.103   5.129
  123   1HE2  GLN  21          2HE2      GLN  21   7.898   1.894   5.628
  124   2HE2  GLN  21          1HE2      GLN  21   7.403   0.321   5.227
  125    H    CYS  22           H        CYS  22   1.991   0.318   5.030
  126    HA   CYS  22           HA       CYS  22   0.557   1.784   6.917
  127   1HB   CYS  22          2HB       CYS  22   0.277   2.474   4.693
  128   2HB   CYS  22          1HB       CYS  22   0.083   0.830   4.123
  129    H    THR  23           H        THR  23  -1.563   1.483   7.810
  130    HA   THR  23           HA       THR  23  -2.586  -1.321   7.797
  131    HB   THR  23           HB       THR  23  -1.399  -0.975   9.922
  132    HG1  THR  23           HG1      THR  23  -3.140  -2.153  10.327
  133   1HG2  THR  23          1HG2      THR  23  -3.202   1.447  10.185
  134   2HG2  THR  23          3HG2      THR  23  -2.161   0.821  11.464
  135   3HG2  THR  23          2HG2      THR  23  -1.451   1.467   9.984
  136    H    SER  24           H        SER  24  -3.697   0.314   6.053
  137    HA   SER  24           HA       SER  24  -6.245   1.132   7.349
  138   1HB   SER  24          2HB       SER  24  -4.758   2.807   5.310
  139   2HB   SER  24          1HB       SER  24  -6.297   3.207   6.069
  140    HG   SER  24           HG       SER  24  -4.638   4.232   7.179
  141    H    CYS  25           H        CYS  25  -4.799  -0.718   4.920
  142    HA   CYS  25           HA       CYS  25  -7.227  -0.526   3.283
  143   1HB   CYS  25          2HB       CYS  25  -5.705  -1.747   1.586
  144   2HB   CYS  25          1HB       CYS  25  -5.484  -0.031   1.798
  145    NH1  ARG  26           NH2      ARG  26 -12.563  -5.052   4.832
  146    NH2  ARG  26           NH1      ARG  26 -12.322  -6.122   6.809
  147    H    ARG  26           H        ARG  26  -6.693  -2.920   2.109
  148    HA   ARG  26           HA       ARG  26  -7.039  -4.935   4.276
  149   1HB   ARG  26          2HB       ARG  26  -8.448  -4.612   1.613
  150   2HB   ARG  26          1HB       ARG  26  -8.314  -6.203   2.363
  151   1HG   ARG  26          2HG       ARG  26  -9.160  -4.189   4.287
  152   2HG   ARG  26          1HG       ARG  26 -10.264  -4.277   2.914
  153   1HD   ARG  26          2HD       ARG  26 -10.943  -6.401   3.427
  154   2HD   ARG  26          1HD       ARG  26  -9.349  -6.878   4.010
  155    HE   ARG  26           HE       ARG  26  -9.891  -5.875   6.162
  156   1HH1  ARG  26          1HH2      ARG  26 -12.170  -4.716   3.976
  157   2HH1  ARG  26          2HH2      ARG  26 -13.532  -4.904   5.030
  158   1HH2  ARG  26          2HH1      ARG  26 -11.746  -6.606   7.468
  159   2HH2  ARG  26          1HH1      ARG  26 -13.291  -5.973   7.008
  160    H    CYS  27           H        CYS  27  -4.907  -5.680   4.279
  161    HA   CYS  27           HA       CYS  27  -3.831  -6.395   1.571
  162   1HB   CYS  27          2HB       CYS  27  -2.974  -4.484   3.421
  163   2HB   CYS  27          1HB       CYS  27  -1.884  -5.837   3.666
  164    H    SER  28           HN       SER  28  -2.779  -6.854   4.914
  165    HA   SER  28           HA       SER  28  -2.384  -9.755   4.354
  166   1HB   SER  28          2HB       SER  28  -1.364  -7.928   6.541
  167   2HB   SER  28          1HB       SER  28  -1.138  -9.674   6.572
  168    HG   SER  28           HG       SER  28  -0.323  -9.213   4.283
   
  Start of MODEL           6
 Raw file had  168 H/Q atoms
  Start of MODEL    6
    1   1H    PRO   1          1H        PRO   1 -13.941  -2.128   1.348
    2   2H    PRO   1          2H        PRO   1 -14.520  -3.481   0.496
    3    HA   PRO   1           HA       PRO   1 -12.825  -3.356  -0.915
    4   1HB   PRO   1          2HB       PRO   1 -12.854  -0.613  -1.748
    5   2HB   PRO   1          1HB       PRO   1 -13.461  -2.025  -2.626
    6   1HG   PRO   1          2HG       PRO   1 -14.979   0.044  -1.355
    7   2HG   PRO   1          1HG       PRO   1 -15.583  -1.378  -2.219
    8   1HD   PRO   1          1HD       PRO   1 -15.611  -0.890   0.607
    9   2HD   PRO   1          2HD       PRO   1 -16.225  -2.300  -0.264
   10    H    GLY   2           H        GLY   2 -10.630  -2.398  -1.240
   11   1HA   GLY   2          2HA       GLY   2  -9.723  -0.369   0.666
   12   2HA   GLY   2          1HA       GLY   2  -9.139  -1.997   1.023
   13    HA   PRO   3           HA       PRO   3  -6.748   0.063  -2.522
   14   1HB   PRO   3          2HB       PRO   3  -4.824   1.451  -1.133
   15   2HB   PRO   3          1HB       PRO   3  -6.341   2.175  -1.697
   16   1HG   PRO   3          2HG       PRO   3  -5.551   1.379   1.065
   17   2HG   PRO   3          1HG       PRO   3  -6.711   2.611   0.539
   18   1HD   PRO   3          1HD       PRO   3  -7.360   0.030   1.507
   19   2HD   PRO   3          2HD       PRO   3  -8.467   1.142   0.675
   20    H    CYS   4           H        CYS   4  -3.957   0.115  -2.280
   21    HA   CYS   4           HA       CYS   4  -3.302  -2.660  -2.177
   22   1HB   CYS   4          2HB       CYS   4  -0.880  -1.725  -1.875
   23   2HB   CYS   4          1HB       CYS   4  -1.694  -1.418  -3.402
   24    H    CYS   5           H        CYS   5  -2.209  -0.125   0.124
   25    HA   CYS   5           HA       CYS   5  -1.619  -2.181   2.111
   26   1HB   CYS   5          2HB       CYS   5  -1.374   0.830   2.209
   27   2HB   CYS   5          1HB       CYS   5  -0.825  -0.266   3.476
   28    H    ASN   6           H        ASN   6  -4.236  -2.486   1.836
   29    HA   ASN   6           HA       ASN   6  -5.643  -0.743   3.785
   30   1HB   ASN   6          2HB       ASN   6  -7.647  -1.845   3.109
   31   2HB   ASN   6          1HB       ASN   6  -6.716  -1.721   1.617
   32   1HD2  ASN   6          2HD2      ASN   6  -7.757  -5.356   2.948
   33   2HD2  ASN   6          1HD2      ASN   6  -8.411  -3.917   3.566
   34    H    ASP   7           H        ASP   7  -4.082  -3.763   3.377
   35    HA   ASP   7           HA       ASP   7  -3.895  -4.230   6.231
   36   1HB   ASP   7          2HB       ASP   7  -5.907  -5.628   4.632
   37   2HB   ASP   7          1HB       ASP   7  -4.751  -6.747   5.358
   38    H    LYS   8           H        LYS   8  -2.288  -3.736   3.734
   39    HA   LYS   8           HA       LYS   8  -0.308  -5.832   4.200
   40   1HB   LYS   8          2HB       LYS   8  -0.470  -7.021   2.254
   41   2HB   LYS   8          1HB       LYS   8  -2.145  -6.494   2.330
   42   1HG   LYS   8          2HG       LYS   8  -1.476  -4.493   0.886
   43   2HG   LYS   8          1HG       LYS   8   0.096  -5.260   0.671
   44   1HD   LYS   8          2HD       LYS   8  -1.117  -6.011  -1.193
   45   2HD   LYS   8          1HD       LYS   8  -1.275  -7.350  -0.055
   46   1HE   LYS   8          2HE       LYS   8  -3.383  -5.661   0.621
   47   2HE   LYS   8          1HE       LYS   8  -3.340  -5.595  -1.141
   48   1HZ   LYS   8          2HZ       LYS   8  -3.011  -8.229   0.024
   49   2HZ   LYS   8          1HZ       LYS   8  -4.544  -7.527   0.238
   50   3HZ   LYS   8          3HZ       LYS   8  -3.921  -7.741  -1.326
   51    H    CYS   9           H        CYS   9   1.468  -4.547   4.467
   52    HA   CYS   9           HA       CYS   9   1.812  -2.132   2.783
   53   1HB   CYS   9          2HB       CYS   9   2.616  -2.393   5.250
   54   2HB   CYS   9          1HB       CYS   9   3.928  -3.355   4.566
   55    H    VAL  10           H        VAL  10   2.160  -2.794   0.720
   56    HA   VAL  10           HA       VAL  10   3.949  -5.123   0.178
   57    HB   VAL  10           HB       VAL  10   2.864  -4.618  -2.174
   58   1HG1  VAL  10          1HG1      VAL  10   1.871  -6.166   0.181
   59   2HG1  VAL  10          3HG1      VAL  10   0.880  -6.121  -1.276
   60   3HG1  VAL  10          2HG1      VAL  10   2.522  -6.760  -1.346
   61   1HG2  VAL  10          3HG2      VAL  10   1.620  -2.632  -1.387
   62   2HG2  VAL  10          2HG2      VAL  10   0.515  -3.898  -1.924
   63   3HG2  VAL  10          1HG2      VAL  10   0.785  -3.635  -0.203
   64    H    CYS  11           H        CYS  11   4.880  -2.301   0.735
   65    HA   CYS  11           HA       CYS  11   5.793  -1.452  -1.918
   66   1HB   CYS  11          2HB       CYS  11   5.252  -0.182   0.396
   67   2HB   CYS  11          1HB       CYS  11   6.997  -0.353   0.533
   68    H    GLN  12           H        GLN  12   7.025  -3.087   0.934
   69    HA   GLN  12           HA       GLN  12   9.762  -3.052   0.453
   70   1HB   GLN  12          2HB       GLN  12   8.541  -4.181   2.394
   71   2HB   GLN  12          1HB       GLN  12   8.305  -5.550   1.306
   72   1HG   GLN  12          2HG       GLN  12  10.348  -5.735   2.785
   73   2HG   GLN  12          1HG       GLN  12  10.684  -5.859   1.058
   74   1HE2  GLN  12          2HE2      GLN  12  12.608  -2.891   0.947
   75   2HE2  GLN  12          1HE2      GLN  12  11.913  -4.160   0.060
   76    H    GLU  13           H        GLU  13   7.286  -4.576  -1.317
   77    HA   GLU  13           HA       GLU  13   9.371  -5.756  -3.110
   78   1HB   GLU  13          2HB       GLU  13   6.595  -6.817  -2.487
   79   2HB   GLU  13          1HB       GLU  13   7.659  -7.475  -3.731
   80   1HG   GLU  13          2HG       GLU  13   9.364  -7.966  -2.031
   81   2HG   GLU  13          1HG       GLU  13   8.323  -7.290  -0.779
   82    H    GLY  14           H        GLY  14   6.044  -5.884  -4.016
   83   1HA   GLY  14          2HA       GLY  14   5.989  -3.307  -5.378
   84   2HA   GLY  14          1HA       GLY  14   6.210  -4.670  -6.481
   85    H    GLY  15           H        GLY  15   4.445  -5.055  -3.512
   86   1HA   GLY  15          2HA       GLY  15   2.092  -5.921  -5.005
   87   2HA   GLY  15          1HA       GLY  15   2.292  -5.974  -3.259
   88    H    CYS  16           H        CYS  16   3.058  -2.864  -3.633
   89    HA   CYS  16           HA       CYS  16   0.608  -1.876  -2.720
   90   1HB   CYS  16          2HB       CYS  16   3.077  -0.685  -3.936
   91   2HB   CYS  16          1HB       CYS  16   1.632   0.289  -3.850
   92    H    LYS  17           H        LYS  17  -0.169   0.226  -4.308
   93    HA   LYS  17           HA       LYS  17  -0.566  -0.680  -7.075
   94   1HB   LYS  17          2HB       LYS  17  -2.982  -0.783  -6.978
   95   2HB   LYS  17          1HB       LYS  17  -2.340  -1.872  -5.747
   96   1HG   LYS  17          2HG       LYS  17  -3.496  -0.754  -4.182
   97   2HG   LYS  17          1HG       LYS  17  -2.567   0.699  -4.556
   98   1HD   LYS  17          2HD       LYS  17  -4.454   1.623  -5.361
   99   2HD   LYS  17          1HD       LYS  17  -4.432   0.422  -6.653
  100   1HE   LYS  17          2HE       LYS  17  -5.751  -1.116  -5.339
  101   2HE   LYS  17          1HE       LYS  17  -5.626  -0.078  -3.923
  102   1HZ   LYS  17          2HZ       LYS  17  -6.619   1.442  -6.052
  103   2HZ   LYS  17          1HZ       LYS  17  -7.533   0.013  -5.960
  104   3HZ   LYS  17          3HZ       LYS  17  -7.403   1.023  -4.604
  105    H    ALA  18           H        ALA  18  -2.620   1.044  -7.820
  106    HA   ALA  18           HA       ALA  18  -1.259   3.640  -7.552
  107   1HB   ALA  18          2HB       ALA  18  -2.897   2.390  -9.510
  108   2HB   ALA  18          1HB       ALA  18  -3.748   3.837  -8.969
  109   3HB   ALA  18          3HB       ALA  18  -2.109   3.966  -9.607
  110    H    GLY  19           H        GLY  19  -2.420   2.718  -5.119
  111   1HA   GLY  19          2HA       GLY  19  -4.087   5.030  -4.484
  112   2HA   GLY  19          1HA       GLY  19  -4.944   3.489  -4.366
  113    H    CYS  20           H        CYS  20  -1.707   4.725  -3.441
  114    HA   CYS  20           HA       CYS  20  -1.667   2.958  -1.123
  115   1HB   CYS  20          2HB       CYS  20   0.324   3.765  -2.580
  116   2HB   CYS  20          1HB       CYS  20   0.254   5.221  -1.589
  117    H    GLN  21           H        GLN  21  -2.882   3.473   0.619
  118    HA   GLN  21           HA       GLN  21  -3.131   6.343   1.393
  119   1HB   GLN  21          2HB       GLN  21  -5.043   5.706   2.694
  120   2HB   GLN  21          1HB       GLN  21  -5.210   4.862   1.154
  121   1HG   GLN  21          2HG       GLN  21  -4.288   2.819   2.136
  122   2HG   GLN  21          1HG       GLN  21  -4.017   3.653   3.667
  123   1HE2  GLN  21          2HE2      GLN  21  -7.999   3.565   2.796
  124   2HE2  GLN  21          1HE2      GLN  21  -6.901   4.315   1.741
  125    H    CYS  22           H        CYS  22  -1.984   3.191   2.368
  126    HA   CYS  22           HA       CYS  22  -1.382   3.511   5.068
  127   1HB   CYS  22          2HB       CYS  22  -0.890   1.395   4.206
  128   2HB   CYS  22          1HB       CYS  22  -0.184   2.057   2.749
  129    H    THR  23           H        THR  23   0.593   4.192   6.116
  130    HA   THR  23           HA       THR  23   2.296   6.067   4.536
  131    HB   THR  23           HB       THR  23   0.624   7.334   5.922
  132    HG1  THR  23           HG1      THR  23   2.579   8.315   5.562
  133   1HG2  THR  23          2HG2      THR  23   1.181   5.334   7.789
  134   2HG2  THR  23          1HG2      THR  23   1.931   6.781   8.462
  135   3HG2  THR  23          3HG2      THR  23   0.213   6.781   8.067
  136    H    SER  24           H        SER  24   3.235   3.627   4.777
  137    HA   SER  24           HA       SER  24   5.204   3.815   6.995
  138   1HB   SER  24          2HB       SER  24   4.634   1.830   7.946
  139   2HB   SER  24          1HB       SER  24   3.072   2.133   7.189
  140    HG   SER  24           HG       SER  24   4.609   0.096   6.776
  141    H    CYS  25           H        CYS  25   4.703   3.353   3.660
  142    HA   CYS  25           HA       CYS  25   7.258   1.925   3.449
  143   1HB   CYS  25          2HB       CYS  25   6.407   1.602   1.027
  144   2HB   CYS  25          1HB       CYS  25   5.728   0.597   2.277
  145    NH1  ARG  26           NH2      ARG  26  11.699   2.498   2.455
  146    NH2  ARG  26           NH1      ARG  26  13.237   3.788   1.415
  147    H    ARG  26           H        ARG  26   7.534   2.735   0.854
  148    HA   ARG  26           HA       ARG  26   8.000   5.674   1.001
  149   1HB   ARG  26          2HB       ARG  26   9.899   5.095  -0.704
  150   2HB   ARG  26          1HB       ARG  26  10.206   4.768   1.002
  151   1HG   ARG  26          2HG       ARG  26   9.733   2.434   0.735
  152   2HG   ARG  26          1HG       ARG  26   9.080   2.686  -0.885
  153   1HD   ARG  26          2HD       ARG  26  11.155   2.170  -1.629
  154   2HD   ARG  26          1HD       ARG  26  11.616   3.778  -1.070
  155    HE   ARG  26           HE       ARG  26  12.527   1.337   0.080
  156   1HH1  ARG  26          1HH2      ARG  26  11.020   1.766   2.423
  157   2HH1  ARG  26          2HH2      ARG  26  11.880   2.976   3.314
  158   1HH2  ARG  26          2HH1      ARG  26  13.736   4.044   0.587
  159   2HH2  ARG  26          1HH1      ARG  26  13.417   4.266   2.275
  160    H    CYS  27           H        CYS  27   6.100   6.176  -0.124
  161    HA   CYS  27           HA       CYS  27   5.785   4.759  -2.748
  162   1HB   CYS  27          2HB       CYS  27   4.151   4.841  -0.485
  163   2HB   CYS  27          1HB       CYS  27   3.410   5.989  -1.585
  164    H    SER  28           HN       SER  28   4.267   7.550  -1.204
  165    HA   SER  28           HA       SER  28   5.196   9.264  -3.476
  166   1HB   SER  28          2HB       SER  28   2.482   9.584  -2.199
  167   2HB   SER  28          1HB       SER  28   3.049  10.219  -3.741
  168    HG   SER  28           HG       SER  28   3.334   7.820  -4.204
   
  Start of MODEL           7
 Raw file had  168 H/Q atoms
  Start of MODEL    7
    1   1H    PRO   1          1H        PRO   1 -11.919  -0.075  -0.034
    2   2H    PRO   1          2H        PRO   1 -13.471  -0.500  -0.584
    3    HA   PRO   1           HA       PRO   1 -13.661   1.416  -1.668
    4   1HB   PRO   1          2HB       PRO   1 -12.884   3.372   0.280
    5   2HB   PRO   1          1HB       PRO   1 -14.518   2.951  -0.251
    6   1HG   PRO   1          2HG       PRO   1 -13.256   2.325   2.249
    7   2HG   PRO   1          1HG       PRO   1 -14.898   1.928   1.722
    8   1HD   PRO   1          1HD       PRO   1 -12.686   0.149   2.023
    9   2HD   PRO   1          2HD       PRO   1 -14.311  -0.230   1.441
   10    H    GLY   2           H        GLY   2 -11.063   2.444   0.566
   11   1HA   GLY   2          2HA       GLY   2  -9.122   2.336  -1.674
   12   2HA   GLY   2          1HA       GLY   2  -9.422   3.911  -0.942
   13    HA   PRO   3           HA       PRO   3  -7.114   1.053   2.177
   14   1HB   PRO   3          2HB       PRO   3  -5.371  -0.665   0.927
   15   2HB   PRO   3          1HB       PRO   3  -7.024  -1.109   1.387
   16   1HG   PRO   3          2HG       PRO   3  -5.928  -0.500  -1.317
   17   2HG   PRO   3          1HG       PRO   3  -7.305  -1.519  -0.867
   18   1HD   PRO   3          1HD       PRO   3  -7.459   1.116  -1.891
   19   2HD   PRO   3          2HD       PRO   3  -8.786   0.214  -1.127
   20    H    CYS   4           H        CYS   4  -4.373   0.547   2.130
   21    HA   CYS   4           HA       CYS   4  -3.227   3.128   2.142
   22   1HB   CYS   4          2HB       CYS   4  -1.002   1.801   1.802
   23   2HB   CYS   4          1HB       CYS   4  -1.894   1.551   3.296
   24    H    CYS   5           H        CYS   5  -2.479   0.599  -0.298
   25    HA   CYS   5           HA       CYS   5  -1.491   2.637  -2.123
   26   1HB   CYS   5          2HB       CYS   5  -1.790  -0.351  -2.430
   27   2HB   CYS   5          1HB       CYS   5  -1.017   0.709  -3.608
   28    H    ASN   6           H        ASN   6  -4.078   3.298  -1.783
   29    HA   ASN   6           HA       ASN   6  -5.656   2.044  -3.960
   30   1HB   ASN   6          2HB       ASN   6  -7.482   3.439  -3.218
   31   2HB   ASN   6          1HB       ASN   6  -6.715   2.826  -1.753
   32   1HD2  ASN   6          2HD2      ASN   6  -6.843   6.799  -2.388
   33   2HD2  ASN   6          1HD2      ASN   6  -7.676   5.691  -3.368
   34    H    ASP   7           H        ASP   7  -3.618   4.677  -3.176
   35    HA   ASP   7           HA       ASP   7  -3.373   5.482  -5.952
   36   1HB   ASP   7          2HB       ASP   7  -5.304   6.834  -4.467
   37   2HB   ASP   7          1HB       ASP   7  -3.881   7.867  -4.328
   38    H    LYS   8           H        LYS   8  -1.845   4.436  -3.513
   39    HA   LYS   8           HA       LYS   8   0.480   6.164  -3.884
   40   1HB   LYS   8          2HB       LYS   8   0.702   7.015  -1.702
   41   2HB   LYS   8          1HB       LYS   8  -1.009   7.228  -2.055
   42   1HG   LYS   8          2HG       LYS   8  -1.109   4.754  -0.957
   43   2HG   LYS   8          1HG       LYS   8   0.310   5.373  -0.112
   44   1HD   LYS   8          2HD       LYS   8  -1.165   7.491   0.293
   45   2HD   LYS   8          1HD       LYS   8  -2.513   6.418  -0.085
   46   1HE   LYS   8          2HE       LYS   8  -2.429   5.623   2.016
   47   2HE   LYS   8          1HE       LYS   8  -0.813   4.998   1.685
   48   1HZ   LYS   8          2HZ       LYS   8  -0.672   7.776   2.091
   49   2HZ   LYS   8          1HZ       LYS   8  -1.518   7.078   3.387
   50   3HZ   LYS   8          3HZ       LYS   8   0.042   6.534   3.004
   51    H    CYS   9           H        CYS   9   1.940   4.517  -4.320
   52    HA   CYS   9           HA       CYS   9   1.870   2.014  -2.760
   53   1HB   CYS   9          2HB       CYS   9   2.772   2.297  -5.190
   54   2HB   CYS   9          1HB       CYS   9   4.214   2.962  -4.420
   55    H    VAL  10           H        VAL  10   2.260   2.471  -0.648
   56    HA   VAL  10           HA       VAL  10   4.445   4.369   0.102
   57    HB   VAL  10           HB       VAL  10   3.186   3.919   2.384
   58   1HG1  VAL  10          2HG1      VAL  10   2.583   5.806   0.134
   59   2HG1  VAL  10          1HG1      VAL  10   1.637   5.888   1.620
   60   3HG1  VAL  10          3HG1      VAL  10   3.382   6.138   1.671
   61   1HG2  VAL  10          3HG2      VAL  10   1.599   2.307   1.375
   62   2HG2  VAL  10          2HG2      VAL  10   0.756   3.722   2.006
   63   3HG2  VAL  10          1HG2      VAL  10   1.042   3.565   0.275
   64    H    CYS  11           H        CYS  11   4.828   1.451  -0.624
   65    HA   CYS  11           HA       CYS  11   5.463   0.274   1.984
   66   1HB   CYS  11          2HB       CYS  11   4.808  -0.729  -0.431
   67   2HB   CYS  11          1HB       CYS  11   6.561  -0.856  -0.505
   68    H    GLN  12           H        GLN  12   7.090   1.846  -0.697
   69    HA   GLN  12           HA       GLN  12   9.748   1.262  -0.150
   70   1HB   GLN  12          2HB       GLN  12  10.349   3.228  -1.339
   71   2HB   GLN  12          1HB       GLN  12   8.800   2.739  -2.024
   72   1HG   GLN  12          2HG       GLN  12   8.110   4.842  -1.564
   73   2HG   GLN  12          1HG       GLN  12   8.053   4.322   0.121
   74   1HE2  GLN  12          2HE2      GLN  12  11.482   6.279  -1.061
   75   2HE2  GLN  12          1HE2      GLN  12  10.741   5.197  -2.138
   76    H    GLU  13           H        GLU  13   7.553   3.108   1.687
   77    HA   GLU  13           HA       GLU  13   9.759   3.724   3.588
   78   1HB   GLU  13          2HB       GLU  13   8.975   5.807   2.645
   79   2HB   GLU  13          1HB       GLU  13   7.291   5.354   2.924
   80   1HG   GLU  13          2HG       GLU  13   7.430   5.695   5.196
   81   2HG   GLU  13          1HG       GLU  13   9.157   5.349   5.244
   82    H    GLY  14           H        GLY  14   6.461   4.427   4.403
   83   1HA   GLY  14          2HA       GLY  14   5.886   1.836   5.611
   84   2HA   GLY  14          1HA       GLY  14   6.312   3.075   6.798
   85    H    GLY  15           H        GLY  15   4.750   3.916   3.810
   86   1HA   GLY  15          2HA       GLY  15   2.539   5.105   5.304
   87   2HA   GLY  15          1HA       GLY  15   2.838   5.273   3.580
   88    H    CYS  16           H        CYS  16   2.988   2.014   3.846
   89    HA   CYS  16           HA       CYS  16   0.498   1.596   2.634
   90   1HB   CYS  16          2HB       CYS  16   2.589  -0.117   3.897
   91   2HB   CYS  16          1HB       CYS  16   1.000  -0.802   3.684
   92    H    LYS  17           H        LYS  17  -0.777  -0.441   3.940
   93    HA   LYS  17           HA       LYS  17  -1.520   0.484   6.647
   94   1HB   LYS  17          2HB       LYS  17  -3.137   1.706   5.478
   95   2HB   LYS  17          1HB       LYS  17  -3.193   0.552   4.153
   96   1HG   LYS  17          2HG       LYS  17  -5.239   0.246   5.231
   97   2HG   LYS  17          1HG       LYS  17  -4.263  -1.057   5.880
   98   1HD   LYS  17          2HD       LYS  17  -3.697   0.446   7.835
   99   2HD   LYS  17          1HD       LYS  17  -4.858   1.607   7.197
  100   1HE   LYS  17          2HE       LYS  17  -5.969  -1.092   7.374
  101   2HE   LYS  17          1HE       LYS  17  -5.449  -0.471   8.940
  102   1HZ   LYS  17          1HZ       LYS  17  -6.663   1.665   8.080
  103   2HZ   LYS  17          3HZ       LYS  17  -7.511   0.548   7.126
  104   3HZ   LYS  17          2HZ       LYS  17  -7.532   0.406   8.819
  105    H    ALA  18           H        ALA  18  -3.194  -1.289   7.526
  106    HA   ALA  18           HA       ALA  18  -1.965  -3.891   7.018
  107   1HB   ALA  18          3HB       ALA  18  -2.940  -2.914   9.256
  108   2HB   ALA  18          2HB       ALA  18  -4.466  -3.554   8.643
  109   3HB   ALA  18          1HB       ALA  18  -3.098  -4.635   8.910
  110    H    GLY  19           H        GLY  19  -3.409  -2.744   4.734
  111   1HA   GLY  19          2HA       GLY  19  -5.070  -5.068   4.086
  112   2HA   GLY  19          1HA       GLY  19  -5.924  -3.518   4.086
  113    H    CYS  20           H        CYS  20  -2.691  -4.579   3.030
  114    HA   CYS  20           HA       CYS  20  -2.596  -2.738   0.838
  115   1HB   CYS  20          2HB       CYS  20  -0.673  -3.908   2.108
  116   2HB   CYS  20          1HB       CYS  20  -0.967  -5.259   1.016
  117    H    GLN  21           H        GLN  21  -3.714  -2.895  -1.013
  118    HA   GLN  21           HA       GLN  21  -4.492  -5.603  -2.006
  119   1HB   GLN  21          2HB       GLN  21  -5.831  -3.032  -1.946
  120   2HB   GLN  21          1HB       GLN  21  -5.672  -3.592  -3.612
  121   1HG   GLN  21          2HG       GLN  21  -6.506  -5.877  -2.684
  122   2HG   GLN  21          1HG       GLN  21  -7.064  -4.935  -1.301
  123   1HE2  GLN  21          2HE2      GLN  21  -9.323  -2.970  -3.467
  124   2HE2  GLN  21          1HE2      GLN  21  -8.109  -2.653  -2.324
  125    H    CYS  22           H        CYS  22  -2.809  -2.620  -2.727
  126    HA   CYS  22           HA       CYS  22  -2.185  -2.858  -5.431
  127   1HB   CYS  22          2HB       CYS  22  -1.392  -0.903  -4.409
  128   2HB   CYS  22          1HB       CYS  22  -0.824  -1.767  -2.997
  129    H    THR  23           H        THR  23  -0.404  -3.849  -6.516
  130    HA   THR  23           HA       THR  23   0.989  -6.021  -5.014
  131    HB   THR  23           HB       THR  23  -0.707  -7.116  -6.370
  132    HG1  THR  23           HG1      THR  23   1.706  -7.680  -6.485
  133   1HG2  THR  23          3HG2      THR  23  -1.134  -5.214  -7.895
  134   2HG2  THR  23          2HG2      THR  23   0.414  -5.513  -8.686
  135   3HG2  THR  23          1HG2      THR  23  -0.874  -6.713  -8.786
  136    H    SER  24           H        SER  24   2.278  -3.753  -5.109
  137    HA   SER  24           HA       SER  24   4.211  -4.061  -7.350
  138   1HB   SER  24          2HB       SER  24   2.671  -2.179  -7.855
  139   2HB   SER  24          1HB       SER  24   3.126  -1.419  -6.333
  140    HG   SER  24           HG       SER  24   4.350  -1.259  -8.665
  141    H    CYS  25           H        CYS  25   3.733  -3.683  -3.944
  142    HA   CYS  25           HA       CYS  25   6.502  -2.798  -3.642
  143   1HB   CYS  25          2HB       CYS  25   5.674  -2.703  -1.148
  144   2HB   CYS  25          1HB       CYS  25   5.276  -1.409  -2.244
  145    NH1  ARG  26           NH1      ARG  26  11.655  -7.116   0.714
  146    NH2  ARG  26           NH2      ARG  26  12.544  -5.599   2.135
  147    H    ARG  26           H        ARG  26   6.689  -3.961  -1.183
  148    HA   ARG  26           HA       ARG  26   6.645  -6.901  -1.676
  149   1HB   ARG  26          2HB       ARG  26   8.731  -6.560   0.101
  150   2HB   ARG  26          1HB       ARG  26   8.940  -6.779  -1.634
  151   1HG   ARG  26          2HG       ARG  26   8.968  -4.358  -1.973
  152   2HG   ARG  26          1HG       ARG  26   8.651  -4.091  -0.259
  153   1HD   ARG  26          2HD       ARG  26  11.048  -5.661  -1.217
  154   2HD   ARG  26          1HD       ARG  26  11.101  -3.911  -1.005
  155    HE   ARG  26           HE       ARG  26  10.339  -4.457   1.421
  156   1HH1  ARG  26          2HH1      ARG  26  10.990  -7.353   0.006
  157   2HH1  ARG  26          1HH1      ARG  26  12.302  -7.803   1.044
  158   1HH2  ARG  26          1HH2      ARG  26  12.562  -4.675   2.516
  159   2HH2  ARG  26          2HH2      ARG  26  13.191  -6.287   2.464
  160    H    CYS  27           H        CYS  27   4.558  -6.337  -0.631
  161    HA   CYS  27           HA       CYS  27   4.589  -5.382   2.115
  162   1HB   CYS  27          2HB       CYS  27   2.769  -5.568   0.007
  163   2HB   CYS  27          1HB       CYS  27   2.165  -6.710   1.196
  164    H    SER  28           HN       SER  28   3.054  -8.263   0.770
  165    HA   SER  28           HA       SER  28   3.139  -9.734   3.233
  166   1HB   SER  28          2HB       SER  28   2.830 -11.727   1.517
  167   2HB   SER  28          1HB       SER  28   1.532 -10.565   1.776
  168    HG   SER  28           HG       SER  28   3.504 -10.023  -0.141
   
  Start of MODEL           8
 Raw file had  168 H/Q atoms
  Start of MODEL    8
    1   1H    PRO   1          1H        PRO   1 -14.514   1.590  -0.930
    2   2H    PRO   1          2H        PRO   1 -15.428   0.992   0.374
    3    HA   PRO   1           HA       PRO   1 -13.587   0.638   1.543
    4   1HB   PRO   1          2HB       PRO   1 -11.925  -0.837  -0.269
    5   2HB   PRO   1          1HB       PRO   1 -12.881  -1.459   1.084
    6   1HG   PRO   1          2HG       PRO   1 -13.396  -1.758  -1.716
    7   2HG   PRO   1          1HG       PRO   1 -14.357  -2.363  -0.359
    8   1HD   PRO   1          1HD       PRO   1 -14.981  -0.199  -2.135
    9   2HD   PRO   1          2HD       PRO   1 -15.941  -0.817  -0.786
   10    H    GLY   2           H        GLY   2 -11.345   1.356   1.782
   11   1HA   GLY   2          2HA       GLY   2 -10.132   2.771  -0.508
   12   2HA   GLY   2          1HA       GLY   2 -10.594   3.776   0.867
   13    HA   PRO   3           HA       PRO   3  -7.123   0.814   2.375
   14   1HB   PRO   3          2HB       PRO   3  -5.828  -0.604   0.407
   15   2HB   PRO   3          1HB       PRO   3  -7.238  -1.216   1.288
   16   1HG   PRO   3          2HG       PRO   3  -7.070  -0.185  -1.506
   17   2HG   PRO   3          1HG       PRO   3  -8.211  -1.344  -0.803
   18   1HD   PRO   3          1HD       PRO   3  -8.734   1.389  -1.333
   19   2HD   PRO   3          2HD       PRO   3  -9.735   0.305  -0.342
   20    H    CYS   4           H        CYS   4  -4.549   0.442   1.226
   21    HA   CYS   4           HA       CYS   4  -3.796   3.278   0.718
   22   1HB   CYS   4          2HB       CYS   4  -1.415   2.235   1.019
   23   2HB   CYS   4          1HB       CYS   4  -2.379   2.513   2.461
   24    H    CYS   5           H        CYS   5  -2.735   0.042  -0.442
   25    HA   CYS   5           HA       CYS   5  -1.740   1.258  -2.906
   26   1HB   CYS   5          2HB       CYS   5  -1.819  -1.605  -1.949
   27   2HB   CYS   5          1HB       CYS   5  -1.082  -1.086  -3.465
   28    H    ASN   6           H        ASN   6  -4.318   1.834  -3.011
   29    HA   ASN   6           HA       ASN   6  -5.761  -0.304  -4.475
   30   1HB   ASN   6          2HB       ASN   6  -6.864   1.383  -2.830
   31   2HB   ASN   6          1HB       ASN   6  -6.658   2.569  -4.120
   32   1HD2  ASN   6          2HD2      ASN   6  -9.918   1.408  -5.051
   33   2HD2  ASN   6          1HD2      ASN   6  -9.097   2.621  -4.193
   34    H    ASP   7           H        ASP   7  -3.909   2.568  -4.859
   35    HA   ASP   7           HA       ASP   7  -3.494   2.080  -7.690
   36   1HB   ASP   7          2HB       ASP   7  -4.773   4.703  -6.844
   37   2HB   ASP   7          1HB       ASP   7  -4.313   4.235  -8.482
   38    H    LYS   8           H        LYS   8  -2.088   2.345  -5.015
   39    HA   LYS   8           HA       LYS   8   0.099   4.030  -5.991
   40   1HB   LYS   8          2HB       LYS   8   0.119   5.625  -4.233
   41   2HB   LYS   8          1HB       LYS   8  -1.535   5.590  -4.833
   42   1HG   LYS   8          2HG       LYS   8  -1.578   3.645  -2.844
   43   2HG   LYS   8          1HG       LYS   8  -0.498   4.864  -2.164
   44   1HD   LYS   8          2HD       LYS   8  -2.281   6.586  -2.857
   45   2HD   LYS   8          1HD       LYS   8  -3.359   5.207  -3.082
   46   1HE   LYS   8          2HE       LYS   8  -3.809   5.638  -0.866
   47   2HE   LYS   8          1HE       LYS   8  -2.415   4.580  -0.652
   48   1HZ   LYS   8          2HZ       LYS   8  -1.188   6.899  -0.964
   49   2HZ   LYS   8          1HZ       LYS   8  -2.639   7.458  -0.281
   50   3HZ   LYS   8          3HZ       LYS   8  -1.691   6.326   0.554
   51    H    CYS   9           H        CYS   9   1.483   2.186  -5.778
   52    HA   CYS   9           HA       CYS   9   1.622   0.703  -3.275
   53   1HB   CYS   9          2HB       CYS   9   2.624   0.001  -5.570
   54   2HB   CYS   9          1HB       CYS   9   3.960   1.078  -5.156
   55    H    VAL  10           H        VAL  10   1.813   2.115  -1.580
   56    HA   VAL  10           HA       VAL  10   3.799   4.332  -1.692
   57    HB   VAL  10           HB       VAL  10   2.536   4.825   0.546
   58   1HG1  VAL  10          2HG1      VAL  10   1.606   5.321  -2.272
   59   2HG1  VAL  10          1HG1      VAL  10   0.763   6.032  -0.896
   60   3HG1  VAL  10          3HG1      VAL  10   2.457   6.424  -1.191
   61   1HG2  VAL  10          2HG2      VAL  10   1.233   2.711   0.467
   62   2HG2  VAL  10          1HG2      VAL  10   0.189   4.133   0.479
   63   3HG2  VAL  10          3HG2      VAL  10   0.478   3.263  -1.024
   64    H    CYS  11           H        CYS  11   4.493   1.445  -1.136
   65    HA   CYS  11           HA       CYS  11   5.181   1.569   1.716
   66   1HB   CYS  11          2HB       CYS  11   4.632  -0.442   0.013
   67   2HB   CYS  11          1HB       CYS  11   6.391  -0.442  -0.062
   68    H    GLN  12           H        GLN  12   6.674   1.947  -1.432
   69    HA   GLN  12           HA       GLN  12   9.373   1.873  -0.787
   70   1HB   GLN  12          2HB       GLN  12   7.760   3.180  -2.850
   71   2HB   GLN  12          1HB       GLN  12   9.254   4.045  -2.486
   72   1HG   GLN  12          2HG       GLN  12   9.600   1.132  -2.688
   73   2HG   GLN  12          1HG       GLN  12   9.063   1.888  -4.189
   74   1HE2  GLN  12          2HE2      GLN  12  12.025   4.133  -4.134
   75   2HE2  GLN  12          1HE2      GLN  12  10.341   4.338  -4.180
   76    H    GLU  13           H        GLU  13   7.002   4.131   0.147
   77    HA   GLU  13           HA       GLU  13   9.128   5.695   1.557
   78   1HB   GLU  13          2HB       GLU  13   6.569   6.633   0.249
   79   2HB   GLU  13          1HB       GLU  13   7.393   7.597   1.474
   80   1HG   GLU  13          2HG       GLU  13   9.306   6.650  -0.467
   81   2HG   GLU  13          1HG       GLU  13   7.982   7.479  -1.287
   82    H    GLY  14           H        GLY  14   5.802   6.405   2.130
   83   1HA   GLY  14          2HA       GLY  14   5.436   4.501   4.308
   84   2HA   GLY  14          1HA       GLY  14   5.753   6.148   4.868
   85    H    GLY  15           H        GLY  15   4.130   5.500   1.854
   86   1HA   GLY  15          2HA       GLY  15   1.826   7.052   2.767
   87   2HA   GLY  15          1HA       GLY  15   2.116   6.495   1.126
   88    H    CYS  16           H        CYS  16   2.539   3.649   2.595
   89    HA   CYS  16           HA       CYS  16   0.064   2.589   1.849
   90   1HB   CYS  16          2HB       CYS  16   2.300   1.734   3.664
   91   2HB   CYS  16          1HB       CYS  16   0.770   0.901   3.759
   92    H    LYS  17           H        LYS  17  -1.052   1.259   3.959
   93    HA   LYS  17           HA       LYS  17  -1.559   3.154   6.157
   94   1HB   LYS  17          2HB       LYS  17  -3.514   2.544   3.987
   95   2HB   LYS  17          1HB       LYS  17  -4.133   2.643   5.636
   96   1HG   LYS  17          2HG       LYS  17  -2.419   4.773   4.329
   97   2HG   LYS  17          1HG       LYS  17  -4.179   4.841   4.436
   98   1HD   LYS  17          2HD       LYS  17  -2.760   4.296   6.983
   99   2HD   LYS  17          1HD       LYS  17  -2.536   5.912   6.313
  100   1HE   LYS  17          2HE       LYS  17  -5.172   5.753   5.978
  101   2HE   LYS  17          1HE       LYS  17  -5.032   4.598   7.303
  102   1HZ   LYS  17          2HZ       LYS  17  -3.809   6.291   8.560
  103   2HZ   LYS  17          1HZ       LYS  17  -4.056   7.402   7.300
  104   3HZ   LYS  17          3HZ       LYS  17  -5.382   6.799   8.169
  105    H    ALA  18           H        ALA  18  -3.752   1.908   7.305
  106    HA   ALA  18           HA       ALA  18  -2.535  -0.626   8.174
  107   1HB   ALA  18          2HB       ALA  18  -3.597   1.087   9.737
  108   2HB   ALA  18          1HB       ALA  18  -5.157   0.562   9.104
  109   3HB   ALA  18          3HB       ALA  18  -4.123  -0.581   9.961
  110    H    GLY  19           H        GLY  19  -3.499  -0.638   5.474
  111   1HA   GLY  19          2HA       GLY  19  -5.228  -2.985   5.609
  112   2HA   GLY  19          1HA       GLY  19  -6.007  -1.578   4.875
  113    H    CYS  20           H        CYS  20  -2.797  -3.153   4.708
  114    HA   CYS  20           HA       CYS  20  -2.478  -2.339   1.935
  115   1HB   CYS  20          2HB       CYS  20  -0.645  -2.698   3.731
  116   2HB   CYS  20          1HB       CYS  20  -0.795  -4.407   3.324
  117    H    GLN  21           H        GLN  21  -3.766  -3.354   0.454
  118    HA   GLN  21           HA       GLN  21  -4.195  -6.287   0.685
  119   1HB   GLN  21          2HB       GLN  21  -5.504  -4.055  -0.822
  120   2HB   GLN  21          1HB       GLN  21  -5.541  -5.664  -1.545
  121   1HG   GLN  21          2HG       GLN  21  -6.151  -5.858   1.265
  122   2HG   GLN  21          1HG       GLN  21  -7.214  -4.670   0.510
  123   1HE2  GLN  21          2HE2      GLN  21  -8.255  -8.405   0.034
  124   2HE2  GLN  21          1HE2      GLN  21  -7.464  -7.720   1.370
  125    H    CYS  22           H        CYS  22  -2.654  -3.808  -1.252
  126    HA   CYS  22           HA       CYS  22  -1.836  -5.213  -3.528
  127   1HB   CYS  22          2HB       CYS  22  -1.285  -2.924  -3.497
  128   2HB   CYS  22          1HB       CYS  22  -0.700  -3.005  -1.848
  129    H    THR  23           H        THR  23  -0.027  -6.527  -3.957
  130    HA   THR  23           HA       THR  23   1.500  -7.496  -1.580
  131    HB   THR  23           HB       THR  23   1.535  -9.624  -3.332
  132    HG1  THR  23           HG1      THR  23  -0.203  -8.334  -4.414
  133   1HG2  THR  23          3HG2      THR  23   0.213  -8.888  -0.808
  134   2HG2  THR  23          2HG2      THR  23  -0.544 -10.235  -1.660
  135   3HG2  THR  23          1HG2      THR  23   1.159 -10.322  -1.208
  136    H    SER  24           H        SER  24   2.569  -5.499  -2.773
  137    HA   SER  24           HA       SER  24   4.631  -6.650  -4.588
  138   1HB   SER  24          2HB       SER  24   3.794  -3.845  -5.090
  139   2HB   SER  24          1HB       SER  24   4.320  -5.084  -6.226
  140    HG   SER  24           HG       SER  24   1.895  -4.344  -5.834
  141    H    CYS  25           H        CYS  25   4.030  -4.873  -1.730
  142    HA   CYS  25           HA       CYS  25   6.670  -3.620  -1.934
  143   1HB   CYS  25          2HB       CYS  25   5.744  -2.440   0.220
  144   2HB   CYS  25          1HB       CYS  25   5.266  -1.864  -1.353
  145    NH1  ARG  26           NH1      ARG  26  11.678  -2.933  -1.794
  146    NH2  ARG  26           NH2      ARG  26  10.768  -0.885  -1.500
  147    H    ARG  26           H        ARG  26   6.868  -3.449   0.779
  148    HA   ARG  26           HA       ARG  26   7.139  -6.259   1.729
  149   1HB   ARG  26          2HB       ARG  26   9.114  -5.219   3.112
  150   2HB   ARG  26          1HB       ARG  26   9.404  -5.601   1.414
  151   1HG   ARG  26          2HG       ARG  26   8.344  -2.887   2.108
  152   2HG   ARG  26          1HG       ARG  26  10.053  -3.223   2.383
  153   1HD   ARG  26          2HD       ARG  26   9.662  -4.276  -0.129
  154   2HD   ARG  26          1HD       ARG  26   8.599  -2.869  -0.150
  155    HE   ARG  26           HE       ARG  26  11.130  -2.100   0.934
  156   1HH1  ARG  26          2HH1      ARG  26  11.878  -3.849  -1.447
  157   2HH1  ARG  26          1HH1      ARG  26  11.976  -2.669  -2.711
  158   1HH2  ARG  26          1HH2      ARG  26  10.270  -0.233  -0.928
  159   2HH2  ARG  26          2HH2      ARG  26  11.065  -0.621  -2.417
  160    H    CYS  27           H        CYS  27   5.002  -5.802   2.563
  161    HA   CYS  27           HA       CYS  27   4.792  -3.600   4.524
  162   1HB   CYS  27          2HB       CYS  27   3.126  -4.765   2.611
  163   2HB   CYS  27          1HB       CYS  27   2.473  -5.320   4.142
  164    H    SER  28           HN       SER  28   3.393  -6.845   4.491
  165    HA   SER  28           HA       SER  28   4.097  -7.105   7.384
  166   1HB   SER  28          2HB       SER  28   2.186  -8.920   5.935
  167   2HB   SER  28          1HB       SER  28   2.229  -8.495   7.643
  168    HG   SER  28           HG       SER  28   0.617  -7.284   6.811
   
  Start of MODEL           9
 Raw file had  168 H/Q atoms
  Start of MODEL    9
    1   1H    PRO   1          1H        PRO   1 -12.208   3.301   5.372
    2   2H    PRO   1          2H        PRO   1 -11.811   2.751   6.932
    3    HA   PRO   1           HA       PRO   1 -11.273   0.764   6.129
    4   1HB   PRO   1          2HB       PRO   1 -13.557   0.051   4.545
    5   2HB   PRO   1          1HB       PRO   1 -13.138  -0.512   6.170
    6   1HG   PRO   1          2HG       PRO   1 -15.227   1.297   5.423
    7   2HG   PRO   1          1HG       PRO   1 -14.789   0.749   7.047
    8   1HD   PRO   1          1HD       PRO   1 -14.356   3.334   5.881
    9   2HD   PRO   1          2HD       PRO   1 -13.942   2.785   7.508
   10    H    GLY   2           H        GLY   2  -9.659   1.577   4.669
   11   1HA   GLY   2          2HA       GLY   2 -10.428   1.280   1.811
   12   2HA   GLY   2          1HA       GLY   2  -9.580   2.747   2.301
   13    HA   PRO   3           HA       PRO   3  -6.603  -0.854   1.533
   14   1HB   PRO   3          2HB       PRO   3  -5.942  -0.336  -1.087
   15   2HB   PRO   3          1HB       PRO   3  -7.223  -1.461  -0.605
   16   1HG   PRO   3          2HG       PRO   3  -7.466   1.286  -1.742
   17   2HG   PRO   3          1HG       PRO   3  -8.600  -0.072  -1.837
   18   1HD   PRO   3          1HD       PRO   3  -8.828   2.154  -0.107
   19   2HD   PRO   3          2HD       PRO   3  -9.744   0.637   0.020
   20    H    CYS   4           H        CYS   4  -4.360  -0.115  -0.125
   21    HA   CYS   4           HA       CYS   4  -3.610   2.537   1.013
   22   1HB   CYS   4          2HB       CYS   4  -1.259   1.461   1.236
   23   2HB   CYS   4          1HB       CYS   4  -2.432   1.147   2.508
   24    H    CYS   5           H        CYS   5  -1.990   0.063  -1.040
   25    HA   CYS   5           HA       CYS   5  -0.935   2.177  -2.726
   26   1HB   CYS   5          2HB       CYS   5  -0.690  -0.832  -2.940
   27   2HB   CYS   5          1HB       CYS   5   0.208   0.338  -3.910
   28    H    ASN   6           H        ASN   6  -3.676   2.275  -2.925
   29    HA   ASN   6           HA       ASN   6  -4.408   0.887  -5.439
   30   1HB   ASN   6          2HB       ASN   6  -5.934   1.677  -3.282
   31   2HB   ASN   6          1HB       ASN   6  -6.180   3.023  -4.396
   32   1HD2  ASN   6          2HD2      ASN   6  -7.644  -0.682  -5.359
   33   2HD2  ASN   6          1HD2      ASN   6  -6.523  -0.519  -4.094
   34    H    ASP   7           H        ASP   7  -3.224   3.818  -4.120
   35    HA   ASP   7           HA       ASP   7  -2.598   4.875  -6.766
   36   1HB   ASP   7          2HB       ASP   7  -4.574   6.190  -4.899
   37   2HB   ASP   7          1HB       ASP   7  -3.591   7.160  -5.997
   38    H    LYS   8           H        LYS   8  -1.440   3.955  -3.997
   39    HA   LYS   8           HA       LYS   8   0.647   5.995  -3.946
   40   1HB   LYS   8          2HB       LYS   8   0.253   6.979  -1.884
   41   2HB   LYS   8          1HB       LYS   8  -1.394   6.760  -2.462
   42   1HG   LYS   8          2HG       LYS   8  -1.202   4.428  -1.200
   43   2HG   LYS   8          1HG       LYS   8   0.076   5.247  -0.305
   44   1HD   LYS   8          2HD       LYS   8  -1.819   5.749   0.967
   45   2HD   LYS   8          1HD       LYS   8  -1.689   7.170  -0.071
   46   1HE   LYS   8          2HE       LYS   8  -3.239   5.931  -1.696
   47   2HE   LYS   8          1HE       LYS   8  -3.555   4.813  -0.369
   48   1HZ   LYS   8          2HZ       LYS   8  -4.029   6.925   0.965
   49   2HZ   LYS   8          1HZ       LYS   8  -4.168   7.692  -0.544
   50   3HZ   LYS   8          3HZ       LYS   8  -5.201   6.406  -0.149
   51    H    CYS   9           H        CYS   9   2.481   4.754  -3.815
   52    HA   CYS   9           HA       CYS   9   2.396   2.181  -2.343
   53   1HB   CYS   9          2HB       CYS   9   3.810   2.554  -4.455
   54   2HB   CYS   9          1HB       CYS   9   4.864   3.554  -3.450
   55    H    VAL  10           H        VAL  10   2.178   2.650  -0.204
   56    HA   VAL  10           HA       VAL  10   3.787   4.857   1.008
   57    HB   VAL  10           HB       VAL  10   2.084   4.136   2.925
   58   1HG1  VAL  10          1HG1      VAL  10   1.970   6.088   0.681
   59   2HG1  VAL  10          3HG1      VAL  10   0.526   5.918   1.677
   60   3HG1  VAL  10          2HG1      VAL  10   2.057   6.384   2.418
   61   1HG2  VAL  10          3HG2      VAL  10   0.637   3.595   0.320
   62   2HG2  VAL  10          2HG2      VAL  10   0.994   2.404   1.565
   63   3HG2  VAL  10          1HG2      VAL  10  -0.139   3.714   1.898
   64    H    CYS  11           H        CYS  11   4.789   2.045   0.468
   65    HA   CYS  11           HA       CYS  11   4.947   0.934   3.169
   66   1HB   CYS  11          2HB       CYS  11   5.113  -0.112   0.697
   67   2HB   CYS  11          1HB       CYS  11   6.824   0.077   1.061
   68    H    GLN  12           H        GLN  12   6.905   2.851   0.985
   69    HA   GLN  12           HA       GLN  12   9.397   2.717   2.198
   70   1HB   GLN  12          2HB       GLN  12   9.516   5.262   1.575
   71   2HB   GLN  12          1HB       GLN  12   9.373   4.065   0.287
   72   1HG   GLN  12          2HG       GLN  12   6.764   4.803   1.346
   73   2HG   GLN  12          1HG       GLN  12   7.641   6.212   0.748
   74   1HE2  GLN  12          2HE2      GLN  12   7.251   5.321  -2.637
   75   2HE2  GLN  12          1HE2      GLN  12   7.781   6.475  -1.511
   76    H    GLU  13           H        GLU  13   6.513   4.095   3.388
   77    HA   GLU  13           HA       GLU  13   8.008   4.959   5.820
   78   1HB   GLU  13          2HB       GLU  13   7.230   6.976   4.806
   79   2HB   GLU  13          1HB       GLU  13   5.657   6.267   4.436
   80   1HG   GLU  13          2HG       GLU  13   4.859   6.851   6.441
   81   2HG   GLU  13          1HG       GLU  13   6.194   6.032   7.251
   82    H    GLY  14           H        GLY  14   4.539   5.136   5.707
   83   1HA   GLY  14          2HA       GLY  14   4.079   2.438   6.714
   84   2HA   GLY  14          1HA       GLY  14   3.965   3.676   7.970
   85    H    GLY  15           H        GLY  15   3.145   4.385   4.664
   86   1HA   GLY  15          2HA       GLY  15   0.454   5.160   5.486
   87   2HA   GLY  15          1HA       GLY  15   1.162   5.393   3.895
   88    H    CYS  16           H        CYS  16   1.812   2.232   4.278
   89    HA   CYS  16           HA       CYS  16  -0.165   1.372   2.507
   90   1HB   CYS  16          2HB       CYS  16   1.793   0.052   4.330
   91   2HB   CYS  16          1HB       CYS  16   0.457  -0.902   3.736
   92    H    LYS  17           H        LYS  17  -1.394  -0.855   3.544
   93    HA   LYS  17           HA       LYS  17  -2.851  -0.046   5.987
   94   1HB   LYS  17          2HB       LYS  17  -3.994  -0.056   3.233
   95   2HB   LYS  17          1HB       LYS  17  -5.003  -0.705   4.526
   96   1HG   LYS  17          2HG       LYS  17  -3.600   1.950   4.819
   97   2HG   LYS  17          1HG       LYS  17  -5.181   1.828   4.044
   98   1HD   LYS  17          2HD       LYS  17  -6.174   0.903   6.028
   99   2HD   LYS  17          1HD       LYS  17  -4.598   0.699   6.794
  100   1HE   LYS  17          2HE       LYS  17  -5.162   2.693   7.779
  101   2HE   LYS  17          1HE       LYS  17  -4.496   3.347   6.283
  102   1HZ   LYS  17          3HZ       LYS  17  -6.977   2.866   5.512
  103   2HZ   LYS  17          2HZ       LYS  17  -7.264   3.157   7.160
  104   3HZ   LYS  17          1HZ       LYS  17  -6.504   4.338   6.206
  105    H    ALA  18           H        ALA  18  -4.866  -1.921   5.957
  106    HA   ALA  18           HA       ALA  18  -3.312  -4.423   6.196
  107   1HB   ALA  18          1HB       ALA  18  -4.880  -3.657   8.007
  108   2HB   ALA  18          3HB       ALA  18  -6.220  -3.922   6.890
  109   3HB   ALA  18          2HB       ALA  18  -5.223  -5.281   7.411
  110    H    GLY  19           H        GLY  19  -3.867  -3.431   3.532
  111   1HA   GLY  19          2HA       GLY  19  -5.015  -5.867   2.392
  112   2HA   GLY  19          1HA       GLY  19  -5.984  -4.419   2.090
  113    H    CYS  20           H        CYS  20  -2.518  -5.272   2.068
  114    HA   CYS  20           HA       CYS  20  -1.976  -3.343  -0.038
  115   1HB   CYS  20          2HB       CYS  20  -0.410  -4.124   1.861
  116   2HB   CYS  20          1HB       CYS  20  -0.106  -5.531   0.842
  117    H    GLN  21           H        GLN  21  -2.373  -3.721  -2.130
  118    HA   GLN  21           HA       GLN  21  -2.278  -6.534  -3.134
  119   1HB   GLN  21          2HB       GLN  21  -3.455  -4.110  -4.532
  120   2HB   GLN  21          1HB       GLN  21  -3.679  -5.806  -4.962
  121   1HG   GLN  21          2HG       GLN  21  -5.000  -6.229  -3.024
  122   2HG   GLN  21          1HG       GLN  21  -4.530  -4.699  -2.282
  123   1HE2  GLN  21          1HE2      GLN  21  -6.780  -3.968  -2.148
  124   2HE2  GLN  21          2HE2      GLN  21  -7.635  -3.497  -3.537
  125    H    CYS  22           H        CYS  22  -1.064  -3.276  -3.452
  126    HA   CYS  22           HA       CYS  22   0.422  -3.404  -5.831
  127   1HB   CYS  22          2HB       CYS  22   0.357  -1.288  -4.758
  128   2HB   CYS  22          1HB       CYS  22   0.720  -1.990  -3.197
  129    H    THR  23           H        THR  23   2.059  -4.781  -6.385
  130    HA   THR  23           HA       THR  23   3.549  -6.163  -4.211
  131    HB   THR  23           HB       THR  23   3.526  -6.772  -7.183
  132    HG1  THR  23           HG1      THR  23   1.463  -6.974  -6.051
  133   1HG2  THR  23          1HG2      THR  23   4.815  -7.905  -4.776
  134   2HG2  THR  23          3HG2      THR  23   4.100  -9.080  -5.880
  135   3HG2  THR  23          2HG2      THR  23   5.329  -7.956  -6.463
  136    H    SER  24           H        SER  24   4.263  -3.595  -4.369
  137    HA   SER  24           HA       SER  24   6.792  -3.629  -5.957
  138   1HB   SER  24          2HB       SER  24   6.299  -1.641  -6.907
  139   2HB   SER  24          1HB       SER  24   4.645  -1.944  -6.386
  140    HG   SER  24           HG       SER  24   6.676  -0.458  -5.082
  141    H    CYS  25           H        CYS  25   5.464  -3.323  -2.787
  142    HA   CYS  25           HA       CYS  25   7.894  -1.945  -1.892
  143   1HB   CYS  25          2HB       CYS  25   6.452  -1.891   0.296
  144   2HB   CYS  25          1HB       CYS  25   6.163  -0.719  -0.960
  145    NH1  ARG  26           NH2      ARG  26  11.290  -7.678  -2.389
  146    NH2  ARG  26           NH1      ARG  26  11.630  -5.613  -3.240
  147    H    ARG  26           H        ARG  26   7.610  -2.955   0.625
  148    HA   ARG  26           HA       ARG  26   8.214  -5.862   0.348
  149   1HB   ARG  26          2HB       ARG  26   9.745  -3.691   1.602
  150   2HB   ARG  26          1HB       ARG  26   9.392  -4.993   2.739
  151   1HG   ARG  26          2HG       ARG  26  11.463  -5.563   1.664
  152   2HG   ARG  26          1HG       ARG  26  10.227  -6.614   0.973
  153   1HD   ARG  26          2HD       ARG  26   9.980  -4.997  -0.920
  154   2HD   ARG  26          1HD       ARG  26  11.327  -4.072  -0.257
  155    HE   ARG  26           HE       ARG  26  12.679  -6.233  -0.566
  156   1HH1  ARG  26          1HH2      ARG  26  11.259  -8.298  -1.604
  157   2HH1  ARG  26          2HH2      ARG  26  11.089  -8.023  -3.306
  158   1HH2  ARG  26          1HH1      ARG  26  11.430  -5.958  -4.157
  159   2HH2  ARG  26          2HH1      ARG  26  11.861  -4.649  -3.108
  160    H    CYS  27           H        CYS  27   5.954  -6.206   0.715
  161    HA   CYS  27           HA       CYS  27   4.953  -5.242   3.358
  162   1HB   CYS  27          2HB       CYS  27   3.968  -5.133   0.745
  163   2HB   CYS  27          1HB       CYS  27   3.043  -6.420   1.500
  164    H    SER  28           HN       SER  28   4.095  -7.896   1.189
  165    HA   SER  28           HA       SER  28   3.744  -9.717   3.479
  166   1HB   SER  28          2HB       SER  28   2.902  -9.618   0.680
  167   2HB   SER  28          1HB       SER  28   3.462 -11.220   1.153
  168    HG   SER  28           HG       SER  28   1.780  -9.800   2.886
   
  Start of MODEL          10
 Raw file had  168 H/Q atoms
  Start of MODEL   10
    1   1H    PRO   1          1H        PRO   1 -10.342   0.647   2.063
    2   2H    PRO   1          2H        PRO   1 -11.794   0.422   2.917
    3    HA   PRO   1           HA       PRO   1 -10.682  -0.239   4.708
    4   1HB   PRO   1          2HB       PRO   1  -8.888  -2.227   3.684
    5   2HB   PRO   1          1HB       PRO   1 -10.404  -2.475   4.563
    6   1HG   PRO   1          2HG       PRO   1  -9.891  -2.915   1.778
    7   2HG   PRO   1          1HG       PRO   1 -11.405  -3.159   2.661
    8   1HD   PRO   1          1HD       PRO   1 -10.784  -1.093   0.780
    9   2HD   PRO   1          2HD       PRO   1 -12.288  -1.336   1.675
   10    H    GLY   2           H        GLY   2  -8.016  -1.036   2.486
   11   1HA   GLY   2          2HA       GLY   2  -6.412   1.091   3.846
   12   2HA   GLY   2          1HA       GLY   2  -5.725  -0.378   3.165
   13    HA   PRO   3           HA       PRO   3  -6.816   2.702  -0.369
   14   1HB   PRO   3          2HB       PRO   3  -6.644   5.327   0.412
   15   2HB   PRO   3          1HB       PRO   3  -8.157   4.402   0.438
   16   1HG   PRO   3          2HG       PRO   3  -6.401   5.203   2.716
   17   2HG   PRO   3          1HG       PRO   3  -8.146   4.897   2.698
   18   1HD   PRO   3          1HD       PRO   3  -6.168   3.117   3.638
   19   2HD   PRO   3          2HD       PRO   3  -7.858   2.699   3.282
   20    H    CYS   4           H        CYS   4  -4.271   2.251   1.598
   21    HA   CYS   4           HA       CYS   4  -2.432   4.289   0.876
   22   1HB   CYS   4          2HB       CYS   4  -0.649   2.493   1.235
   23   2HB   CYS   4          1HB       CYS   4  -1.640   2.895   2.626
   24    H    CYS   5           H        CYS   5  -2.134   0.975  -0.492
   25    HA   CYS   5           HA       CYS   5  -0.876   2.077  -2.855
   26   1HB   CYS   5          2HB       CYS   5  -1.646  -0.758  -2.157
   27   2HB   CYS   5          1HB       CYS   5  -0.655  -0.279  -3.537
   28    H    ASN   6           H        ASN   6  -3.481   3.057  -2.745
   29    HA   ASN   6           HA       ASN   6  -5.071   1.403  -4.616
   30   1HB   ASN   6          2HB       ASN   6  -6.106   2.821  -2.723
   31   2HB   ASN   6          1HB       ASN   6  -5.669   4.232  -3.688
   32   1HD2  ASN   6          2HD2      ASN   6  -9.154   2.858  -4.542
   33   2HD2  ASN   6          1HD2      ASN   6  -8.415   3.100  -3.034
   34    H    ASP   7           H        ASP   7  -2.812   3.953  -4.423
   35    HA   ASP   7           HA       ASP   7  -2.500   4.041  -7.320
   36   1HB   ASP   7          2HB       ASP   7  -4.271   5.839  -6.454
   37   2HB   ASP   7          1HB       ASP   7  -2.809   6.716  -6.002
   38    H    LYS   8           H        LYS   8  -1.090   3.492  -4.555
   39    HA   LYS   8           HA       LYS   8   1.473   4.617  -5.390
   40   1HB   LYS   8          2HB       LYS   8   1.890   6.032  -3.526
   41   2HB   LYS   8          1HB       LYS   8   0.278   6.463  -4.088
   42   1HG   LYS   8          2HG       LYS   8  -0.227   4.430  -2.257
   43   2HG   LYS   8          1HG       LYS   8   1.103   5.308  -1.506
   44   1HD   LYS   8          2HD       LYS   8  -1.235   6.802  -2.680
   45   2HD   LYS   8          1HD       LYS   8  -1.348   6.099  -1.067
   46   1HE   LYS   8          2HE       LYS   8  -0.325   7.960  -0.303
   47   2HE   LYS   8          1HE       LYS   8   1.141   7.365  -1.085
   48   1HZ   LYS   8          3HZ       LYS   8  -0.926   9.029  -2.418
   49   2HZ   LYS   8          2HZ       LYS   8   0.530   9.628  -1.781
   50   3HZ   LYS   8          1HZ       LYS   8   0.554   8.535  -3.081
   51    H    CYS   9           H        CYS   9   2.749   2.790  -5.155
   52    HA   CYS   9           HA       CYS   9   2.276   0.940  -2.895
   53   1HB   CYS   9          2HB       CYS   9   3.244   0.285  -5.218
   54   2HB   CYS   9          1HB       CYS   9   4.750   1.001  -4.640
   55    H    VAL  10           H        VAL  10   2.667   2.059  -1.027
   56    HA   VAL  10           HA       VAL  10   5.093   3.788  -0.805
   57    HB   VAL  10           HB       VAL  10   3.709   4.275   1.420
   58   1HG1  VAL  10          1HG1      VAL  10   3.846   5.455  -1.285
   59   2HG1  VAL  10          3HG1      VAL  10   2.526   6.045  -0.276
   60   3HG1  VAL  10          2HG1      VAL  10   4.193   6.194   0.278
   61   1HG2  VAL  10          3HG2      VAL  10   1.655   3.584  -0.692
   62   2HG2  VAL  10          2HG2      VAL  10   1.859   2.777   0.859
   63   3HG2  VAL  10          1HG2      VAL  10   1.298   4.447   0.799
   64    H    CYS  11           H        CYS  11   5.058   0.780  -0.469
   65    HA   CYS  11           HA       CYS  11   5.420   0.477   2.412
   66   1HB   CYS  11          2HB       CYS  11   4.768  -1.184   0.405
   67   2HB   CYS  11          1HB       CYS  11   6.492  -1.517   0.523
   68    H    GLN  12           H        GLN  12   7.432   0.888  -0.452
   69    HA   GLN  12           HA       GLN  12   9.942   0.250   0.563
   70   1HB   GLN  12          2HB       GLN  12  10.897   1.807  -1.044
   71   2HB   GLN  12          1HB       GLN  12   9.503   1.020  -1.783
   72   1HG   GLN  12          2HG       GLN  12   8.363   3.194  -0.516
   73   2HG   GLN  12          1HG       GLN  12   9.899   3.844  -1.092
   74   1HE2  GLN  12          2HE2      GLN  12   7.563   2.160  -4.027
   75   2HE2  GLN  12          1HE2      GLN  12   7.785   1.330  -2.563
   76    H    GLU  13           H        GLU  13   7.869   2.806   1.429
   77    HA   GLU  13           HA       GLU  13   9.991   3.831   3.274
   78   1HB   GLU  13          2HB       GLU  13   7.756   5.367   1.911
   79   2HB   GLU  13          1HB       GLU  13   8.796   6.035   3.170
   80   1HG   GLU  13          2HG       GLU  13  10.667   6.053   1.812
   81   2HG   GLU  13          1HG       GLU  13  10.074   4.737   0.799
   82    H    GLY  14           H        GLY  14   6.784   5.065   3.489
   83   1HA   GLY  14          2HA       GLY  14   5.801   3.070   5.376
   84   2HA   GLY  14          1HA       GLY  14   6.291   4.583   6.148
   85    H    GLY  15           H        GLY  15   5.107   4.622   2.892
   86   1HA   GLY  15          2HA       GLY  15   2.941   6.410   3.670
   87   2HA   GLY  15          1HA       GLY  15   3.356   5.936   2.031
   88    H    CYS  16           H        CYS  16   3.104   2.982   3.440
   89    HA   CYS  16           HA       CYS  16   0.652   2.405   2.206
   90   1HB   CYS  16          2HB       CYS  16   2.486   1.018   4.088
   91   2HB   CYS  16          1HB       CYS  16   0.837   0.452   4.016
   92    H    LYS  17           H        LYS  17  -0.920   1.013   3.935
   93    HA   LYS  17           HA       LYS  17  -1.730   2.923   6.078
   94   1HB   LYS  17          2HB       LYS  17  -3.413   1.797   3.843
   95   2HB   LYS  17          1HB       LYS  17  -4.148   2.283   5.370
   96   1HG   LYS  17          2HG       LYS  17  -2.306   4.136   3.862
   97   2HG   LYS  17          1HG       LYS  17  -4.029   4.056   3.493
   98   1HD   LYS  17          2HD       LYS  17  -3.291   4.309   6.366
   99   2HD   LYS  17          1HD       LYS  17  -3.029   5.729   5.353
  100   1HE   LYS  17          2HE       LYS  17  -5.536   4.842   4.559
  101   2HE   LYS  17          1HE       LYS  17  -5.540   4.560   6.299
  102   1HZ   LYS  17          2HZ       LYS  17  -4.675   7.119   5.080
  103   2HZ   LYS  17          1HZ       LYS  17  -6.274   6.824   5.573
  104   3HZ   LYS  17          3HZ       LYS  17  -5.019   6.809   6.714
  105    H    ALA  18           H        ALA  18  -3.912   1.527   7.066
  106    HA   ALA  18           HA       ALA  18  -2.571  -0.849   8.199
  107   1HB   ALA  18          3HB       ALA  18  -5.097   0.652   8.906
  108   2HB   ALA  18          2HB       ALA  18  -4.656  -0.870   9.681
  109   3HB   ALA  18          1HB       ALA  18  -3.603   0.537   9.837
  110    H    GLY  19           H        GLY  19  -4.321  -0.433   5.474
  111   1HA   GLY  19          2HA       GLY  19  -5.432  -3.196   5.667
  112   2HA   GLY  19          1HA       GLY  19  -6.451  -1.898   5.042
  113    H    CYS  20           H        CYS  20  -3.006  -2.609   4.524
  114    HA   CYS  20           HA       CYS  20  -2.799  -1.803   1.895
  115   1HB   CYS  20          2HB       CYS  20  -0.997  -2.693   3.465
  116   2HB   CYS  20          1HB       CYS  20  -1.474  -4.300   2.926
  117    H    GLN  21           H        GLN  21  -3.883  -2.380   0.114
  118    HA   GLN  21           HA       GLN  21  -5.048  -5.121  -0.045
  119   1HB   GLN  21          2HB       GLN  21  -6.002  -2.526  -0.799
  120   2HB   GLN  21          1HB       GLN  21  -5.813  -3.489  -2.265
  121   1HG   GLN  21          2HG       GLN  21  -7.079  -4.808   0.094
  122   2HG   GLN  21          1HG       GLN  21  -8.038  -3.619  -0.788
  123   1HE2  GLN  21          2HE2      GLN  21  -8.400  -5.652  -3.680
  124   2HE2  GLN  21          1HE2      GLN  21  -8.584  -4.092  -3.038
  125    H    CYS  22           H        CYS  22  -2.883  -2.825  -1.590
  126    HA   CYS  22           HA       CYS  22  -2.319  -4.079  -4.028
  127   1HB   CYS  22          2HB       CYS  22  -1.255  -2.020  -3.731
  128   2HB   CYS  22          1HB       CYS  22  -0.831  -2.378  -2.074
  129    H    THR  23           H        THR  23  -0.466  -5.466  -4.572
  130    HA   THR  23           HA       THR  23   0.504  -7.190  -2.349
  131    HB   THR  23           HB       THR  23   0.234  -8.927  -4.505
  132    HG1  THR  23           HG1      THR  23  -1.203  -7.138  -5.281
  133   1HG2  THR  23          2HG2      THR  23  -0.140  -9.331  -2.071
  134   2HG2  THR  23          1HG2      THR  23  -1.693  -8.506  -2.210
  135   3HG2  THR  23          3HG2      THR  23  -1.413 -10.010  -3.086
  136    H    SER  24           H        SER  24   2.086  -5.327  -3.126
  137    HA   SER  24           HA       SER  24   4.031  -6.657  -4.935
  138   1HB   SER  24          2HB       SER  24   3.757  -3.703  -5.185
  139   2HB   SER  24          1HB       SER  24   4.199  -4.899  -6.400
  140    HG   SER  24           HG       SER  24   2.192  -4.823  -6.986
  141    H    CYS  25           H        CYS  25   3.511  -5.234  -1.927
  142    HA   CYS  25           HA       CYS  25   6.332  -4.448  -1.752
  143   1HB   CYS  25          2HB       CYS  25   5.413  -3.317   0.414
  144   2HB   CYS  25          1HB       CYS  25   5.196  -2.517  -1.119
  145    NH1  ARG  26           NH2      ARG  26   8.752  -3.359  -0.708
  146    NH2  ARG  26           NH1      ARG  26  10.499  -3.868  -2.048
  147    H    ARG  26           H        ARG  26   6.266  -4.577   0.960
  148    HA   ARG  26           HA       ARG  26   5.958  -7.476   1.593
  149   1HB   ARG  26          2HB       ARG  26   7.966  -5.528   2.802
  150   2HB   ARG  26          1HB       ARG  26   7.870  -7.262   3.110
  151   1HG   ARG  26          2HG       ARG  26   9.258  -7.612   1.377
  152   2HG   ARG  26          1HG       ARG  26   8.033  -6.947   0.297
  153   1HD   ARG  26          2HD       ARG  26   9.025  -4.647   1.301
  154   2HD   ARG  26          1HD       ARG  26  10.464  -5.659   1.428
  155    HE   ARG  26           HE       ARG  26   9.972  -6.163  -1.086
  156   1HH1  ARG  26          1HH2      ARG  26   8.115  -3.614   0.019
  157   2HH1  ARG  26          2HH2      ARG  26   8.687  -2.457  -1.136
  158   1HH2  ARG  26          2HH1      ARG  26  11.201  -4.514  -2.347
  159   2HH2  ARG  26          1HH1      ARG  26  10.433  -2.967  -2.476
  160    H    CYS  27           H        CYS  27   3.812  -6.988   2.304
  161    HA   CYS  27           HA       CYS  27   3.656  -5.013   4.542
  162   1HB   CYS  27          2HB       CYS  27   2.231  -5.355   2.164
  163   2HB   CYS  27          1HB       CYS  27   1.163  -5.998   3.398
  164    H    SER  28           HN       SER  28   1.676  -7.754   3.514
  165    HA   SER  28           HA       SER  28   1.431  -8.632   6.334
  166   1HB   SER  28          2HB       SER  28  -0.346  -8.579   4.202
  167   2HB   SER  28          1HB       SER  28   0.100 -10.279   4.312
  168    HG   SER  28           HG       SER  28  -1.050 -10.394   6.056
   
  Start of MODEL          11
 Raw file had  168 H/Q atoms
  Start of MODEL   11
    1   1H    PRO   1          1H        PRO   1 -10.276  -0.732   3.781
    2   2H    PRO   1          2H        PRO   1 -11.463  -1.845   4.276
    3    HA   PRO   1           HA       PRO   1 -10.561  -3.407   2.997
    4   1HB   PRO   1          2HB       PRO   1 -10.369  -2.129   0.438
    5   2HB   PRO   1          1HB       PRO   1 -11.588  -3.288   0.989
    6   1HG   PRO   1          2HG       PRO   1 -11.918  -0.485   0.536
    7   2HG   PRO   1          1HG       PRO   1 -13.122  -1.642   1.125
    8   1HD   PRO   1          1HD       PRO   1 -11.755   0.410   2.607
    9   2HD   PRO   1          2HD       PRO   1 -13.001  -0.707   3.175
   10    H    GLY   2           H        GLY   2  -9.229  -0.735   1.058
   11   1HA   GLY   2          2HA       GLY   2  -6.593  -1.050   2.312
   12   2HA   GLY   2          1HA       GLY   2  -6.682  -1.579   0.632
   13    HA   PRO   3           HA       PRO   3  -7.376   3.165   0.844
   14   1HB   PRO   3          2HB       PRO   3  -6.463   4.364   3.133
   15   2HB   PRO   3          1HB       PRO   3  -8.122   3.770   2.934
   16   1HG   PRO   3          2HG       PRO   3  -5.890   2.598   4.520
   17   2HG   PRO   3          1HG       PRO   3  -7.637   2.417   4.738
   18   1HD   PRO   3          1HD       PRO   3  -5.880   0.529   3.539
   19   2HD   PRO   3          2HD       PRO   3  -7.656   0.466   3.548
   20    H    CYS   4           H        CYS   4  -4.608   1.399   1.159
   21    HA   CYS   4           HA       CYS   4  -2.946   3.841   0.754
   22   1HB   CYS   4          2HB       CYS   4  -0.958   2.340   1.168
   23   2HB   CYS   4          1HB       CYS   4  -1.941   2.691   2.575
   24    H    CYS   5           H        CYS   5  -2.287   0.485  -0.373
   25    HA   CYS   5           HA       CYS   5  -1.427   1.587  -2.909
   26   1HB   CYS   5          2HB       CYS   5  -1.630  -1.290  -2.008
   27   2HB   CYS   5          1HB       CYS   5  -0.812  -0.714  -3.462
   28    H    ASN   6           H        ASN   6  -4.130   2.136  -2.653
   29    HA   ASN   6           HA       ASN   6  -5.537   0.093  -4.271
   30   1HB   ASN   6          2HB       ASN   6  -7.514   1.219  -3.745
   31   2HB   ASN   6          1HB       ASN   6  -6.547   1.677  -2.346
   32   1HD2  ASN   6          2HD2      ASN   6  -6.327   5.102  -3.295
   33   2HD2  ASN   6          1HD2      ASN   6  -5.729   3.899  -2.257
   34    H    ASP   7           H        ASP   7  -3.726   2.975  -4.421
   35    HA   ASP   7           HA       ASP   7  -3.621   2.896  -7.331
   36   1HB   ASP   7          2HB       ASP   7  -5.626   4.403  -6.525
   37   2HB   ASP   7          1HB       ASP   7  -4.350   5.548  -6.109
   38    H    LYS   8           H        LYS   8  -1.962   2.825  -4.634
   39    HA   LYS   8           HA       LYS   8   0.320   4.251  -5.762
   40   1HB   LYS   8          2HB       LYS   8   0.576   5.964  -4.197
   41   2HB   LYS   8          1HB       LYS   8  -1.165   5.953  -4.449
   42   1HG   LYS   8          2HG       LYS   8  -1.089   4.217  -2.407
   43   2HG   LYS   8          1HG       LYS   8   0.409   5.069  -2.046
   44   1HD   LYS   8          2HD       LYS   8  -1.126   6.384  -0.899
   45   2HD   LYS   8          1HD       LYS   8  -1.084   7.216  -2.454
   46   1HE   LYS   8          2HE       LYS   8  -2.992   5.358  -2.969
   47   2HE   LYS   8          1HE       LYS   8  -3.247   5.587  -1.239
   48   1HZ   LYS   8          1HZ       LYS   8  -2.849   8.058  -2.623
   49   2HZ   LYS   8          3HZ       LYS   8  -4.181   7.200  -3.228
   50   3HZ   LYS   8          2HZ       LYS   8  -4.105   7.594  -1.577
   51    H    CYS   9           H        CYS   9   1.981   2.827  -5.416
   52    HA   CYS   9           HA       CYS   9   1.914   1.059  -3.035
   53   1HB   CYS   9          2HB       CYS   9   2.821   0.349  -5.352
   54   2HB   CYS   9          1HB       CYS   9   4.221   1.354  -4.975
   55    H    VAL  10           H        VAL  10   2.255   2.312  -1.276
   56    HA   VAL  10           HA       VAL  10   4.386   4.409  -1.308
   57    HB   VAL  10           HB       VAL  10   3.067   4.849   0.949
   58   1HG1  VAL  10          2HG1      VAL  10   2.318   5.713  -1.846
   59   2HG1  VAL  10          1HG1      VAL  10   1.657   6.473  -0.398
   60   3HG1  VAL  10          3HG1      VAL  10   3.389   6.549  -0.721
   61   1HG2  VAL  10          3HG2      VAL  10   1.504   2.963   0.586
   62   2HG2  VAL  10          2HG2      VAL  10   0.650   4.506   0.603
   63   3HG2  VAL  10          1HG2      VAL  10   0.987   3.701  -0.927
   64    H    CYS  11           H        CYS  11   4.849   1.461  -0.829
   65    HA   CYS  11           HA       CYS  11   5.411   1.395   2.043
   66   1HB   CYS  11          2HB       CYS  11   4.863  -0.476   0.198
   67   2HB   CYS  11          1HB       CYS  11   6.619  -0.569   0.201
   68    H    GLN  12           H        GLN  12   7.161   1.845  -0.981
   69    HA   GLN  12           HA       GLN  12   9.789   1.610  -0.109
   70   1HB   GLN  12          2HB       GLN  12  10.346   3.382  -1.820
   71   2HB   GLN  12          1HB       GLN  12   9.365   2.054  -2.441
   72   1HG   GLN  12          2HG       GLN  12   7.491   3.862  -1.442
   73   2HG   GLN  12          1HG       GLN  12   8.704   4.885  -2.213
   74   1HE2  GLN  12          2HE2      GLN  12   8.207   2.815  -5.346
   75   2HE2  GLN  12          1HE2      GLN  12   9.509   2.976  -4.268
   76    H    GLU  13           H        GLU  13   7.461   3.951   0.722
   77    HA   GLU  13           HA       GLU  13   9.558   5.393   2.301
   78   1HB   GLU  13          2HB       GLU  13   7.090   6.455   0.912
   79   2HB   GLU  13          1HB       GLU  13   7.928   7.364   2.171
   80   1HG   GLU  13          2HG       GLU  13   9.710   6.264   0.100
   81   2HG   GLU  13          1HG       GLU  13   8.562   7.463  -0.500
   82    H    GLY  14           H        GLY  14   6.230   6.194   2.719
   83   1HA   GLY  14          2HA       GLY  14   5.698   4.256   4.833
   84   2HA   GLY  14          1HA       GLY  14   6.035   5.879   5.446
   85    H    GLY  15           H        GLY  15   4.566   5.411   2.334
   86   1HA   GLY  15          2HA       GLY  15   2.248   6.969   3.195
   87   2HA   GLY  15          1HA       GLY  15   2.614   6.481   1.548
   88    H    CYS  16           H        CYS  16   2.874   3.565   3.020
   89    HA   CYS  16           HA       CYS  16   0.433   2.623   2.027
   90   1HB   CYS  16          2HB       CYS  16   2.538   1.584   3.862
   91   2HB   CYS  16          1HB       CYS  16   0.971   0.821   3.925
   92    H    LYS  17           H        LYS  17  -0.863   1.207   3.972
   93    HA   LYS  17           HA       LYS  17  -1.527   2.968   6.231
   94   1HB   LYS  17          2HB       LYS  17  -3.326   2.582   3.857
   95   2HB   LYS  17          1HB       LYS  17  -4.038   2.771   5.459
   96   1HG   LYS  17          2HG       LYS  17  -2.120   4.768   5.399
   97   2HG   LYS  17          1HG       LYS  17  -2.744   4.772   3.750
   98   1HD   LYS  17          2HD       LYS  17  -4.209   6.229   4.871
   99   2HD   LYS  17          1HD       LYS  17  -5.088   4.699   4.878
  100   1HE   LYS  17          2HE       LYS  17  -5.157   4.775   7.124
  101   2HE   LYS  17          1HE       LYS  17  -3.395   4.697   7.161
  102   1HZ   LYS  17          3HZ       LYS  17  -4.976   7.188   6.832
  103   2HZ   LYS  17          2HZ       LYS  17  -4.274   6.668   8.290
  104   3HZ   LYS  17          1HZ       LYS  17  -3.289   7.079   6.968
  105    H    ALA  18           H        ALA  18  -3.886   1.801   7.057
  106    HA   ALA  18           HA       ALA  18  -2.957  -0.901   7.781
  107   1HB   ALA  18          2HB       ALA  18  -4.689   1.096   8.937
  108   2HB   ALA  18          1HB       ALA  18  -5.548  -0.441   8.825
  109   3HB   ALA  18          3HB       ALA  18  -4.014  -0.348   9.690
  110    H    GLY  19           H        GLY  19  -3.611  -0.653   5.043
  111   1HA   GLY  19          2HA       GLY  19  -5.590  -2.782   4.798
  112   2HA   GLY  19          1HA       GLY  19  -6.116  -1.249   4.093
  113    H    CYS  20           H        CYS  20  -3.120  -3.200   4.168
  114    HA   CYS  20           HA       CYS  20  -2.395  -2.222   1.524
  115   1HB   CYS  20          2HB       CYS  20  -0.874  -2.882   3.544
  116   2HB   CYS  20          1HB       CYS  20  -1.041  -4.511   2.893
  117    H    GLN  21           H        GLN  21  -3.977  -3.029   0.079
  118    HA   GLN  21           HA       GLN  21  -4.479  -5.931  -0.051
  119   1HB   GLN  21          2HB       GLN  21  -5.937  -5.382  -1.935
  120   2HB   GLN  21          1HB       GLN  21  -6.261  -4.249  -0.621
  121   1HG   GLN  21          2HG       GLN  21  -4.783  -2.585  -1.682
  122   2HG   GLN  21          1HG       GLN  21  -4.448  -3.716  -2.994
  123   1HE2  GLN  21          2HE2      GLN  21  -7.884  -3.466  -4.258
  124   2HE2  GLN  21          1HE2      GLN  21  -6.743  -4.671  -3.904
  125    H    CYS  22           H        CYS  22  -2.635  -3.439  -1.682
  126    HA   CYS  22           HA       CYS  22  -1.749  -4.692  -4.006
  127   1HB   CYS  22          2HB       CYS  22  -1.025  -2.481  -3.716
  128   2HB   CYS  22          1HB       CYS  22  -0.590  -2.755  -2.042
  129    H    THR  23           H        THR  23   0.281  -5.839  -4.415
  130    HA   THR  23           HA       THR  23   1.418  -7.300  -2.086
  131    HB   THR  23           HB       THR  23  -0.190  -8.873  -2.968
  132    HG1  THR  23           HG1      THR  23   1.952  -9.659  -2.594
  133   1HG2  THR  23          1HG2      THR  23  -0.216  -7.520  -5.224
  134   2HG2  THR  23          3HG2      THR  23   1.001  -8.698  -5.715
  135   3HG2  THR  23          2HG2      THR  23  -0.605  -9.240  -5.228
  136    H    SER  24           H        SER  24   2.766  -5.249  -3.046
  137    HA   SER  24           HA       SER  24   4.875  -6.496  -4.731
  138   1HB   SER  24          2HB       SER  24   3.680  -3.749  -5.177
  139   2HB   SER  24          1HB       SER  24   5.077  -4.399  -6.031
  140    HG   SER  24           HG       SER  24   2.729  -4.634  -6.866
  141    H    CYS  25           H        CYS  25   4.138  -4.795  -1.881
  142    HA   CYS  25           HA       CYS  25   6.859  -3.708  -1.776
  143   1HB   CYS  25          2HB       CYS  25   5.855  -2.472   0.252
  144   2HB   CYS  25          1HB       CYS  25   5.424  -1.899  -1.337
  145    NH1  ARG  26           NH2      ARG  26  10.390  -8.704   4.611
  146    NH2  ARG  26           NH1      ARG  26  11.344  -9.589   2.762
  147    H    ARG  26           H        ARG  26   6.772  -3.621   0.943
  148    HA   ARG  26           HA       ARG  26   6.807  -6.475   1.798
  149   1HB   ARG  26          2HB       ARG  26   8.978  -4.693   1.741
  150   2HB   ARG  26          1HB       ARG  26   8.433  -4.648   3.418
  151   1HG   ARG  26          2HG       ARG  26   9.113  -6.775   3.822
  152   2HG   ARG  26          1HG       ARG  26   8.522  -7.354   2.263
  153   1HD   ARG  26          2HD       ARG  26  10.524  -7.000   1.220
  154   2HD   ARG  26          1HD       ARG  26  10.870  -5.545   2.156
  155    HE   ARG  26           HE       ARG  26  12.258  -6.979   3.408
  156   1HH1  ARG  26          1HH2      ARG  26  10.163  -7.907   5.171
  157   2HH1  ARG  26          2HH2      ARG  26  10.115  -9.619   4.907
  158   1HH2  ARG  26          2HH1      ARG  26  11.847  -9.471   1.905
  159   2HH2  ARG  26          1HH1      ARG  26  11.069 -10.504   3.057
  160    H    CYS  27           H        CYS  27   4.850  -6.565   2.927
  161    HA   CYS  27           HA       CYS  27   4.394  -4.276   4.813
  162   1HB   CYS  27          2HB       CYS  27   3.064  -4.857   2.430
  163   2HB   CYS  27          1HB       CYS  27   2.006  -5.498   3.673
  164    H    SER  28           HN       SER  28   2.618  -7.200   3.923
  165    HA   SER  28           HA       SER  28   2.959  -8.215   6.720
  166   1HB   SER  28          2HB       SER  28   0.478  -9.120   6.114
  167   2HB   SER  28          1HB       SER  28   0.768  -7.606   6.965
  168    HG   SER  28           HG       SER  28  -0.263  -6.777   5.325
   
  Start of MODEL          12
 Raw file had  168 H/Q atoms
  Start of MODEL   12
    1   1H    PRO   1          1H        PRO   1  12.705   4.426  -2.381
    2   2H    PRO   1          2H        PRO   1  13.312   3.828  -3.852
    3    HA   PRO   1           HA       PRO   1  13.590   1.823  -2.967
    4   1HB   PRO   1          2HB       PRO   1  15.006   2.361  -0.531
    5   2HB   PRO   1          1HB       PRO   1  15.658   1.747  -2.058
    6   1HG   PRO   1          2HG       PRO   1  15.994   4.356  -0.921
    7   2HG   PRO   1          1HG       PRO   1  16.642   3.738  -2.447
    8   1HD   PRO   1          1HD       PRO   1  14.528   5.632  -2.079
    9   2HD   PRO   1          2HD       PRO   1  15.168   4.997  -3.599
   10    H    GLY   2           H        GLY   2  11.145   2.578  -2.427
   11   1HA   GLY   2          2HA       GLY   2  10.645   1.536   0.284
   12   2HA   GLY   2          1HA       GLY   2  10.053   3.169  -0.026
   13    HA   PRO   3           HA       PRO   3   7.251  -0.191  -1.932
   14   1HB   PRO   3          2HB       PRO   3   5.818  -1.077   0.239
   15   2HB   PRO   3          1HB       PRO   3   7.282  -1.878  -0.358
   16   1HG   PRO   3          2HG       PRO   3   6.931  -0.173   2.063
   17   2HG   PRO   3          1HG       PRO   3   8.113  -1.456   1.757
   18   1HD   PRO   3          1HD       PRO   3   8.610   1.328   1.605
   19   2HD   PRO   3          2HD       PRO   3   9.671   0.041   0.994
   20    H    CYS   4           H        CYS   4   4.595  -0.271  -0.978
   21    HA   CYS   4           HA       CYS   4   3.867   2.600  -1.219
   22   1HB   CYS   4          2HB       CYS   4   1.498   1.561  -1.433
   23   2HB   CYS   4          1HB       CYS   4   2.582   1.392  -2.806
   24    H    CYS   5           H        CYS   5   2.537  -0.186   0.635
   25    HA   CYS   5           HA       CYS   5   1.644   1.683   2.704
   26   1HB   CYS   5          2HB       CYS   5   1.314  -1.312   2.512
   27   2HB   CYS   5          1HB       CYS   5   0.552  -0.272   3.710
   28    H    ASN   6           H        ASN   6   4.176   2.002   3.044
   29    HA   ASN   6           HA       ASN   6   5.289  -0.110   4.811
   30   1HB   ASN   6          2HB       ASN   6   6.557   1.588   3.099
   31   2HB   ASN   6          1HB       ASN   6   6.631   2.543   4.581
   32   1HD2  ASN   6          2HD2      ASN   6   8.456  -0.196   6.296
   33   2HD2  ASN   6          1HD2      ASN   6   7.043   0.702   6.575
   34    H    ASP   7           H        ASP   7   3.652   2.886   4.759
   35    HA   ASP   7           HA       ASP   7   2.999   2.748   7.586
   36   1HB   ASP   7          2HB       ASP   7   4.855   4.832   6.467
   37   2HB   ASP   7          1HB       ASP   7   3.672   5.323   7.681
   38    H    LYS   8           H        LYS   8   1.850   2.616   4.833
   39    HA   LYS   8           HA       LYS   8  -0.331   4.555   5.251
   40   1HB   LYS   8          2HB       LYS   8  -0.009   5.821   3.366
   41   2HB   LYS   8          1HB       LYS   8   1.671   5.377   3.634
   42   1HG   LYS   8          2HG       LYS   8   1.263   3.372   2.061
   43   2HG   LYS   8          1HG       LYS   8  -0.279   4.123   1.648
   44   1HD   LYS   8          2HD       LYS   8   2.501   5.232   1.216
   45   2HD   LYS   8          1HD       LYS   8   1.266   4.884   0.005
   46   1HE   LYS   8          2HE       LYS   8  -0.139   6.617   1.460
   47   2HE   LYS   8          1HE       LYS   8   1.470   7.189   1.899
   48   1HZ   LYS   8          3HZ       LYS   8   1.216   6.678  -0.903
   49   2HZ   LYS   8          2HZ       LYS   8   0.099   7.839  -0.363
   50   3HZ   LYS   8          1HZ       LYS   8   1.762   8.071  -0.105
   51    H    CYS   9           H        CYS   9  -2.132   4.155   3.804
   52    HA   CYS   9           HA       CYS   9  -2.175   1.449   2.557
   53   1HB   CYS   9          2HB       CYS   9  -3.408   1.680   4.884
   54   2HB   CYS   9          1HB       CYS   9  -4.631   2.517   3.924
   55    H    VAL  10           H        VAL  10  -2.113   2.256   0.535
   56    HA   VAL  10           HA       VAL  10  -3.887   4.530  -0.249
   57    HB   VAL  10           HB       VAL  10  -2.281   4.297  -2.305
   58   1HG1  VAL  10          3HG1      VAL  10  -1.463   5.491   0.350
   59   2HG1  VAL  10          2HG1      VAL  10  -0.765   5.929  -1.209
   60   3HG1  VAL  10          1HG1      VAL  10  -2.461   6.278  -0.873
   61   1HG2  VAL  10          2HG2      VAL  10  -1.178   2.252  -1.409
   62   2HG2  VAL  10          1HG2      VAL  10  -0.028   3.566  -1.658
   63   3HG2  VAL  10          3HG2      VAL  10  -0.608   3.195  -0.036
   64    H    CYS  11           H        CYS  11  -4.756   1.676  -0.036
   65    HA   CYS  11           HA       CYS  11  -5.012   0.896  -2.855
   66   1HB   CYS  11          2HB       CYS  11  -4.865  -0.458  -0.529
   67   2HB   CYS  11          1HB       CYS  11  -6.611  -0.401  -0.741
   68    H    GLN  12           H        GLN  12  -6.908   2.299  -0.254
   69    HA   GLN  12           HA       GLN  12  -9.481   2.128  -1.291
   70   1HB   GLN  12          2HB       GLN  12  -8.207   3.648   0.719
   71   2HB   GLN  12          1HB       GLN  12  -9.070   4.799  -0.302
   72   1HG   GLN  12          2HG       GLN  12 -10.806   2.592   0.043
   73   2HG   GLN  12          1HG       GLN  12 -10.144   2.954   1.637
   74   1HE2  GLN  12          2HE2      GLN  12 -12.873   5.445   0.019
   75   2HE2  GLN  12          1HE2      GLN  12 -12.451   3.970  -0.707
   76    H    GLU  13           H        GLU  13  -6.803   3.893  -2.432
   77    HA   GLU  13           HA       GLU  13  -8.539   5.046  -4.577
   78   1HB   GLU  13          2HB       GLU  13  -6.007   6.210  -3.370
   79   2HB   GLU  13          1HB       GLU  13  -6.868   6.889  -4.753
   80   1HG   GLU  13          2HG       GLU  13  -8.766   7.429  -3.447
   81   2HG   GLU  13          1HG       GLU  13  -8.260   6.375  -2.127
   82    H    GLY  14           H        GLY  14  -5.120   5.397  -4.778
   83   1HA   GLY  14          2HA       GLY  14  -4.612   2.895  -6.183
   84   2HA   GLY  14          1HA       GLY  14  -4.697   4.293  -7.262
   85    H    GLY  15           H        GLY  15  -3.618   4.638  -3.979
   86   1HA   GLY  15          2HA       GLY  15  -1.069   5.709  -4.919
   87   2HA   GLY  15          1HA       GLY  15  -1.638   5.696  -3.257
   88    H    CYS  16           H        CYS  16  -2.083   2.546  -3.931
   89    HA   CYS  16           HA       CYS  16   0.130   1.650  -2.470
   90   1HB   CYS  16          2HB       CYS  16  -1.894   0.407  -4.288
   91   2HB   CYS  16          1HB       CYS  16  -0.442  -0.497  -3.939
   92    H    LYS  17           H        LYS  17   1.392  -0.321  -3.932
   93    HA   LYS  17           HA       LYS  17   2.531   0.901  -6.370
   94   1HB   LYS  17          2HB       LYS  17   4.056   0.458  -3.805
   95   2HB   LYS  17          1HB       LYS  17   4.879   0.430  -5.365
   96   1HG   LYS  17          2HG       LYS  17   3.600   2.688  -5.769
   97   2HG   LYS  17          1HG       LYS  17   3.479   2.714  -4.009
   98   1HD   LYS  17          2HD       LYS  17   5.507   3.790  -4.263
   99   2HD   LYS  17          1HD       LYS  17   6.072   2.121  -4.184
  100   1HE   LYS  17          2HE       LYS  17   5.875   2.057  -6.718
  101   2HE   LYS  17          1HE       LYS  17   5.624   3.802  -6.661
  102   1HZ   LYS  17          2HZ       LYS  17   7.901   2.744  -5.180
  103   2HZ   LYS  17          1HZ       LYS  17   8.016   2.716  -6.875
  104   3HZ   LYS  17          3HZ       LYS  17   7.756   4.185  -6.069
  105    H    ALA  18           H        ALA  18   4.677  -0.798  -6.753
  106    HA   ALA  18           HA       ALA  18   3.284  -3.372  -7.165
  107   1HB   ALA  18          3HB       ALA  18   6.016  -2.413  -8.074
  108   2HB   ALA  18          2HB       ALA  18   5.268  -3.939  -8.543
  109   3HB   ALA  18          1HB       ALA  18   4.544  -2.411  -9.044
  110    H    GLY  19           H        GLY  19   3.988  -2.659  -4.458
  111   1HA   GLY  19          2HA       GLY  19   5.437  -5.087  -3.717
  112   2HA   GLY  19          1HA       GLY  19   6.303  -3.598  -3.323
  113    H    CYS  20           H        CYS  20   2.928  -4.771  -3.099
  114    HA   CYS  20           HA       CYS  20   2.418  -3.145  -0.757
  115   1HB   CYS  20          2HB       CYS  20   0.757  -4.003  -2.563
  116   2HB   CYS  20          1HB       CYS  20   0.732  -5.483  -1.607
  117    H    GLN  21           H        GLN  21   3.355  -3.667   1.162
  118    HA   GLN  21           HA       GLN  21   3.645  -6.546   1.883
  119   1HB   GLN  21          2HB       GLN  21   4.993  -5.582   3.823
  120   2HB   GLN  21          1HB       GLN  21   5.690  -5.321   2.224
  121   1HG   GLN  21          2HG       GLN  21   5.310  -3.062   2.278
  122   2HG   GLN  21          1HG       GLN  21   3.813  -3.231   3.194
  123   1HE2  GLN  21          2HE2      GLN  21   7.374  -3.100   5.252
  124   2HE2  GLN  21          1HE2      GLN  21   7.376  -3.585   3.625
  125    H    CYS  22           H        CYS  22   2.054  -3.557   2.716
  126    HA   CYS  22           HA       CYS  22   1.006  -4.029   5.249
  127   1HB   CYS  22          2HB       CYS  22   0.492  -1.938   4.368
  128   2HB   CYS  22          1HB       CYS  22   0.161  -2.590   2.780
  129    H    THR  23           H        THR  23  -1.258  -4.704   5.768
  130    HA   THR  23           HA       THR  23  -2.394  -6.752   3.938
  131    HB   THR  23           HB       THR  23  -0.906  -7.894   5.629
  132    HG1  THR  23           HG1      THR  23  -2.842  -8.854   4.768
  133   1HG2  THR  23          2HG2      THR  23  -2.146  -6.031   7.362
  134   2HG2  THR  23          1HG2      THR  23  -2.700  -7.629   7.866
  135   3HG2  THR  23          3HG2      THR  23  -0.973  -7.278   7.789
  136    H    SER  24           H        SER  24  -3.548  -4.390   4.019
  137    HA   SER  24           HA       SER  24  -5.920  -4.799   5.752
  138   1HB   SER  24          2HB       SER  24  -4.232  -3.190   6.820
  139   2HB   SER  24          1HB       SER  24  -4.622  -2.084   5.506
  140    HG   SER  24           HG       SER  24  -6.873  -2.419   6.169
  141    H    CYS  25           H        CYS  25  -4.794  -4.250   2.642
  142    HA   CYS  25           HA       CYS  25  -7.294  -2.906   1.928
  143   1HB   CYS  25          2HB       CYS  25  -5.974  -2.295  -0.179
  144   2HB   CYS  25          1HB       CYS  25  -5.626  -1.378   1.266
  145    NH1  ARG  26           NH2      ARG  26 -10.778  -7.677   1.730
  146    NH2  ARG  26           NH1      ARG  26 -10.790  -5.467   2.208
  147    H    ARG  26           H        ARG  26  -7.196  -3.446  -0.576
  148    HA   ARG  26           HA       ARG  26  -7.331  -6.408  -0.841
  149   1HB   ARG  26          2HB       ARG  26  -9.335  -4.565  -1.349
  150   2HB   ARG  26          1HB       ARG  26  -8.603  -4.756  -2.942
  151   1HG   ARG  26          2HG       ARG  26 -10.386  -6.404  -2.664
  152   2HG   ARG  26          1HG       ARG  26  -8.826  -7.226  -2.715
  153   1HD   ARG  26          2HD       ARG  26 -10.350  -8.039  -0.879
  154   2HD   ARG  26          1HD       ARG  26  -8.790  -7.449  -0.307
  155    HE   ARG  26           HE       ARG  26 -10.692  -5.301  -0.286
  156   1HH1  ARG  26          1HH2      ARG  26 -10.680  -8.419   1.068
  157   2HH1  ARG  26          2HH2      ARG  26 -10.965  -7.885   2.690
  158   1HH2  ARG  26          2HH1      ARG  26 -10.701  -4.517   1.910
  159   2HH2  ARG  26          1HH1      ARG  26 -10.977  -5.676   3.167
  160    H    CYS  27           H        CYS  27  -5.360  -6.978  -1.768
  161    HA   CYS  27           HA       CYS  27  -4.449  -5.193  -3.999
  162   1HB   CYS  27          2HB       CYS  27  -3.373  -5.432  -1.438
  163   2HB   CYS  27          1HB       CYS  27  -2.346  -6.459  -2.419
  164    H    SER  28           HN       SER  28  -3.190  -8.077  -2.394
  165    HA   SER  28           HA       SER  28  -2.514  -9.371  -4.901
  166   1HB   SER  28          2HB       SER  28  -2.492 -10.193  -2.011
  167   2HB   SER  28          1HB       SER  28  -2.264 -11.407  -3.265
  168    HG   SER  28           HG       SER  28  -0.805  -8.982  -3.185
   
  Start of MODEL          13
 Raw file had  168 H/Q atoms
  Start of MODEL   13
    1   1H    PRO   1          1H        PRO   1 -14.363  -2.227  -4.343
    2   2H    PRO   1          2H        PRO   1 -14.508  -1.653  -5.938
    3    HA   PRO   1           HA       PRO   1 -12.648  -0.480  -5.723
    4   1HB   PRO   1          2HB       PRO   1 -13.043   0.955  -3.273
    5   2HB   PRO   1          1HB       PRO   1 -13.207   1.559  -4.928
    6   1HG   PRO   1          2HG       PRO   1 -15.290   1.005  -3.042
    7   2HG   PRO   1          1HG       PRO   1 -15.448   1.603  -4.700
    8   1HD   PRO   1          1HD       PRO   1 -16.086  -1.006  -3.706
    9   2HD   PRO   1          2HD       PRO   1 -16.235  -0.403  -5.360
   10    H    GLY   2           H        GLY   2 -10.597  -0.659  -4.733
   11   1HA   GLY   2          2HA       GLY   2 -10.371  -1.803  -2.041
   12   2HA   GLY   2          1HA       GLY   2  -9.853  -2.876  -3.339
   13    HA   PRO   3           HA       PRO   3  -6.797   0.804  -2.739
   14   1HB   PRO   3          2HB       PRO   3  -6.048   0.883  -0.091
   15   2HB   PRO   3          1HB       PRO   3  -7.322   1.902  -0.785
   16   1HG   PRO   3          2HG       PRO   3  -7.584  -0.495   0.967
   17   2HG   PRO   3          1HG       PRO   3  -8.687   0.875   0.771
   18   1HD   PRO   3          1HD       PRO   3  -9.012  -1.686  -0.381
   19   2HD   PRO   3          2HD       PRO   3  -9.904  -0.218  -0.835
   20    H    CYS   4           H        CYS   4  -4.482   0.456  -1.135
   21    HA   CYS   4           HA       CYS   4  -3.687  -2.307  -1.958
   22   1HB   CYS   4          2HB       CYS   4  -1.317  -1.249  -1.672
   23   2HB   CYS   4          1HB       CYS   4  -2.213  -0.894  -3.142
   24    H    CYS   5           H        CYS   5  -2.618   0.099   0.489
   25    HA   CYS   5           HA       CYS   5  -1.770  -2.057   2.252
   26   1HB   CYS   5          2HB       CYS   5  -1.782   0.943   2.599
   27   2HB   CYS   5          1HB       CYS   5  -1.082  -0.194   3.751
   28    H    ASN   6           H        ASN   6  -4.426  -2.450   1.965
   29    HA   ASN   6           HA       ASN   6  -5.815  -1.132   4.227
   30   1HB   ASN   6          2HB       ASN   6  -6.859  -1.896   1.908
   31   2HB   ASN   6          1HB       ASN   6  -6.933  -3.471   2.696
   32   1HD2  ASN   6          2HD2      ASN   6  -9.243  -0.412   4.197
   33   2HD2  ASN   6          1HD2      ASN   6  -7.854  -0.034   3.298
   34    H    ASP   7           H        ASP   7  -4.071  -3.933   3.311
   35    HA   ASP   7           HA       ASP   7  -3.880  -4.868   6.056
   36   1HB   ASP   7          2HB       ASP   7  -5.336  -6.472   3.934
   37   2HB   ASP   7          1HB       ASP   7  -4.631  -7.216   5.370
   38    H    LYS   8           H        LYS   8  -2.282  -3.922   3.599
   39    HA   LYS   8           HA       LYS   8  -0.150  -5.899   3.888
   40   1HB   LYS   8          2HB       LYS   8  -0.030  -6.644   1.633
   41   2HB   LYS   8          1HB       LYS   8  -1.721  -6.808   2.091
   42   1HG   LYS   8          2HG       LYS   8  -1.675  -4.237   1.088
   43   2HG   LYS   8          1HG       LYS   8  -0.484  -5.035   0.059
   44   1HD   LYS   8          2HD       LYS   8  -3.303  -6.036   0.580
   45   2HD   LYS   8          1HD       LYS   8  -2.764  -5.215  -0.886
   46   1HE   LYS   8          2HE       LYS   8  -0.922  -7.317  -0.412
   47   2HE   LYS   8          1HE       LYS   8  -2.533  -8.002  -0.201
   48   1HZ   LYS   8          3HZ       LYS   8  -2.179  -6.226  -2.474
   49   2HZ   LYS   8          2HZ       LYS   8  -1.371  -7.718  -2.566
   50   3HZ   LYS   8          1HZ       LYS   8  -3.056  -7.673  -2.352
   51    H    CYS   9           H        CYS   9   1.386  -4.283   4.429
   52    HA   CYS   9           HA       CYS   9   1.558  -1.831   2.830
   53   1HB   CYS   9          2HB       CYS   9   2.489  -2.163   5.230
   54   2HB   CYS   9          1HB       CYS   9   3.827  -3.012   4.454
   55    H    VAL  10           H        VAL  10   1.776  -2.409   0.711
   56    HA   VAL  10           HA       VAL  10   3.717  -4.516  -0.091
   57    HB   VAL  10           HB       VAL  10   2.510  -3.885  -2.361
   58   1HG1  VAL  10          1HG1      VAL  10   1.473  -5.647  -0.137
   59   2HG1  VAL  10          3HG1      VAL  10   0.834  -5.698  -1.780
   60   3HG1  VAL  10          2HG1      VAL  10   2.520  -6.118  -1.476
   61   1HG2  VAL  10          2HG2      VAL  10   1.155  -2.089  -1.313
   62   2HG2  VAL  10          1HG2      VAL  10   0.136  -3.369  -1.971
   63   3HG2  VAL  10          3HG2      VAL  10   0.437  -3.284  -0.242
   64    H    CYS  11           H        CYS  11   4.465  -1.639   0.628
   65    HA   CYS  11           HA       CYS  11   5.247  -0.585  -1.988
   66   1HB   CYS  11          2HB       CYS  11   4.744   0.518   0.418
   67   2HB   CYS  11          1HB       CYS  11   6.498   0.415   0.488
   68    H    GLN  12           H        GLN  12   6.662  -2.335   0.699
   69    HA   GLN  12           HA       GLN  12   9.377  -2.154   0.133
   70   1HB   GLN  12          2HB       GLN  12   7.679  -3.956   1.601
   71   2HB   GLN  12          1HB       GLN  12   8.926  -4.870   0.752
   72   1HG   GLN  12          2HG       GLN  12   9.446  -2.473   2.535
   73   2HG   GLN  12          1HG       GLN  12   9.674  -4.156   3.011
   74   1HE2  GLN  12          2HE2      GLN  12  12.965  -2.882   1.789
   75   2HE2  GLN  12          1HE2      GLN  12  11.915  -2.476   3.059
   76    H    GLU  13           H        GLU  13   6.921  -3.660  -1.678
   77    HA   GLU  13           HA       GLU  13   9.006  -4.652  -3.576
   78   1HB   GLU  13          2HB       GLU  13   6.303  -5.901  -2.977
   79   2HB   GLU  13          1HB       GLU  13   7.441  -6.472  -4.199
   80   1HG   GLU  13          2HG       GLU  13   9.121  -6.484  -2.145
   81   2HG   GLU  13          1HG       GLU  13   7.628  -6.615  -1.214
   82    H    GLY  14           H        GLY  14   5.661  -4.928  -4.393
   83   1HA   GLY  14          2HA       GLY  14   5.430  -2.307  -5.652
   84   2HA   GLY  14          1HA       GLY  14   5.685  -3.617  -6.810
   85    H    GLY  15           H        GLY  15   3.989  -4.032  -3.778
   86   1HA   GLY  15          2HA       GLY  15   1.637  -4.978  -5.262
   87   2HA   GLY  15          1HA       GLY  15   1.929  -5.179  -3.541
   88    H    CYS  16           H        CYS  16   2.525  -1.981  -3.762
   89    HA   CYS  16           HA       CYS  16   0.133  -1.220  -2.547
   90   1HB   CYS  16          2HB       CYS  16   2.408   0.201  -3.856
   91   2HB   CYS  16          1HB       CYS  16   0.927   1.087  -3.611
   92    H    LYS  17           H        LYS  17  -0.900   0.962  -3.849
   93    HA   LYS  17           HA       LYS  17  -1.698   0.156  -6.580
   94   1HB   LYS  17          2HB       LYS  17  -3.485   0.092  -4.181
   95   2HB   LYS  17          1HB       LYS  17  -4.166   0.652  -5.709
   96   1HG   LYS  17          2HG       LYS  17  -3.772  -1.399  -6.783
   97   2HG   LYS  17          1HG       LYS  17  -2.562  -1.893  -5.598
   98   1HD   LYS  17          2HD       LYS  17  -4.680  -1.637  -3.957
   99   2HD   LYS  17          1HD       LYS  17  -5.530  -2.044  -5.448
  100   1HE   LYS  17          2HE       LYS  17  -3.124  -3.660  -4.703
  101   2HE   LYS  17          1HE       LYS  17  -4.630  -3.954  -3.834
  102   1HZ   LYS  17          2HZ       LYS  17  -4.703  -3.773  -6.759
  103   2HZ   LYS  17          1HZ       LYS  17  -4.104  -5.196  -6.051
  104   3HZ   LYS  17          3HZ       LYS  17  -5.682  -4.679  -5.708
  105    H    ALA  18           H        ALA  18  -3.749   1.943  -6.998
  106    HA   ALA  18           HA       ALA  18  -2.314   4.520  -6.806
  107   1HB   ALA  18          1HB       ALA  18  -3.922   3.348  -8.760
  108   2HB   ALA  18          3HB       ALA  18  -4.947   4.604  -8.066
  109   3HB   ALA  18          2HB       ALA  18  -3.372   5.023  -8.739
  110    H    GLY  19           H        GLY  19  -3.443   3.396  -4.382
  111   1HA   GLY  19          2HA       GLY  19  -4.973   5.731  -3.496
  112   2HA   GLY  19          1HA       GLY  19  -5.882   4.215  -3.450
  113    H    CYS  20           H        CYS  20  -2.571   5.265  -2.626
  114    HA   CYS  20           HA       CYS  20  -2.335   3.310  -0.517
  115   1HB   CYS  20          2HB       CYS  20  -0.490   4.453  -1.940
  116   2HB   CYS  20          1HB       CYS  20  -0.617   5.762  -0.768
  117    H    GLN  21           H        GLN  21  -3.794   3.591   1.164
  118    HA   GLN  21           HA       GLN  21  -4.171   6.281   2.335
  119   1HB   GLN  21          2HB       GLN  21  -5.462   3.603   2.624
  120   2HB   GLN  21          1HB       GLN  21  -5.489   4.657   4.039
  121   1HG   GLN  21          2HG       GLN  21  -6.599   6.403   2.823
  122   2HG   GLN  21          1HG       GLN  21  -6.345   5.576   1.286
  123   1HE2  GLN  21          2HE2      GLN  21  -9.444   3.951   1.578
  124   2HE2  GLN  21          1HE2      GLN  21  -8.297   4.709   0.584
  125    H    CYS  22           H        CYS  22  -2.626   3.196   2.991
  126    HA   CYS  22           HA       CYS  22  -1.831   3.429   5.650
  127   1HB   CYS  22          2HB       CYS  22  -1.237   1.416   4.610
  128   2HB   CYS  22          1HB       CYS  22  -0.679   2.229   3.164
  129    H    THR  23           H        THR  23   0.304   4.098   6.499
  130    HA   THR  23           HA       THR  23   1.701   6.205   4.946
  131    HB   THR  23           HB       THR  23   1.681   7.273   7.489
  132    HG1  THR  23           HG1      THR  23  -0.074   5.609   7.778
  133   1HG2  THR  23          2HG2      THR  23   1.203   8.156   5.039
  134   2HG2  THR  23          1HG2      THR  23  -0.476   8.027   5.562
  135   3HG2  THR  23          3HG2      THR  23   0.647   9.061   6.447
  136    H    SER  24           H        SER  24   2.781   3.881   5.114
  137    HA   SER  24           HA       SER  24   4.835   4.106   7.252
  138   1HB   SER  24          2HB       SER  24   2.959   2.351   7.685
  139   2HB   SER  24          1HB       SER  24   3.766   1.418   6.429
  140    HG   SER  24           HG       SER  24   4.486   1.861   9.008
  141    H    CYS  25           H        CYS  25   4.197   3.780   3.925
  142    HA   CYS  25           HA       CYS  25   6.839   2.580   3.496
  143   1HB   CYS  25          2HB       CYS  25   5.881   2.320   1.114
  144   2HB   CYS  25          1HB       CYS  25   5.326   1.211   2.338
  145    NH1  ARG  26           NH2      ARG  26  12.250   2.994   1.847
  146    NH2  ARG  26           NH1      ARG  26  13.084   2.459  -0.183
  147    H    ARG  26           H        ARG  26   6.917   3.562   0.953
  148    HA   ARG  26           HA       ARG  26   7.160   6.516   1.265
  149   1HB   ARG  26          2HB       ARG  26   8.854   5.002  -0.707
  150   2HB   ARG  26          1HB       ARG  26   9.211   6.511   0.134
  151   1HG   ARG  26          2HG       ARG  26  10.541   5.197   1.435
  152   2HG   ARG  26          1HG       ARG  26   9.026   4.780   2.237
  153   1HD   ARG  26          2HD       ARG  26   9.827   2.661   1.729
  154   2HD   ARG  26          1HD       ARG  26   8.860   2.991   0.292
  155    HE   ARG  26           HE       ARG  26  10.884   3.299  -0.958
  156   1HH1  ARG  26          1HH2      ARG  26  11.491   3.311   2.416
  157   2HH1  ARG  26          2HH2      ARG  26  13.129   2.770   2.267
  158   1HH2  ARG  26          2HH1      ARG  26  12.964   2.366  -1.171
  159   2HH2  ARG  26          1HH1      ARG  26  13.963   2.235   0.237
  160    H    CYS  27           H        CYS  27   5.289   7.122   0.164
  161    HA   CYS  27           HA       CYS  27   4.886   5.741  -2.469
  162   1HB   CYS  27          2HB       CYS  27   3.381   5.588  -0.121
  163   2HB   CYS  27          1HB       CYS  27   2.495   6.722  -1.121
  164    H    SER  28           HN       SER  28   3.248   8.336  -0.710
  165    HA   SER  28           HA       SER  28   3.019   9.993  -3.090
  166   1HB   SER  28          2HB       SER  28   2.337  11.734  -1.238
  167   2HB   SER  28          1HB       SER  28   1.275  10.373  -1.586
  168    HG   SER  28           HG       SER  28   1.516  10.213   0.544
   
  Start of MODEL          14
 Raw file had  168 H/Q atoms
  Start of MODEL   14
    1   1H    PRO   1          1H        PRO   1 -13.340  -0.219  -3.611
    2   2H    PRO   1          2H        PRO   1 -13.609   1.444  -3.843
    3    HA   PRO   1           HA       PRO   1 -13.006   1.871  -1.759
    4   1HB   PRO   1          2HB       PRO   1 -14.535  -0.001  -0.219
    5   2HB   PRO   1          1HB       PRO   1 -14.849   1.723  -0.460
    6   1HG   PRO   1          2HG       PRO   1 -16.273  -0.505  -1.572
    7   2HG   PRO   1          1HG       PRO   1 -16.596   1.221  -1.794
    8   1HD   PRO   1          1HD       PRO   1 -15.509  -0.612  -3.698
    9   2HD   PRO   1          2HD       PRO   1 -15.793   1.121  -3.899
   10    H    GLY   2           H        GLY   2 -11.239   0.212  -2.968
   11   1HA   GLY   2          2HA       GLY   2 -10.277  -1.413  -0.699
   12   2HA   GLY   2          1HA       GLY   2 -10.570  -2.285  -2.204
   13    HA   PRO   3           HA       PRO   3  -6.900   0.767  -2.872
   14   1HB   PRO   3          2HB       PRO   3  -5.674   1.568  -0.540
   15   2HB   PRO   3          1HB       PRO   3  -6.955   2.493  -1.340
   16   1HG   PRO   3          2HG       PRO   3  -7.105   0.828   1.130
   17   2HG   PRO   3          1HG       PRO   3  -8.092   2.219   0.653
   18   1HD   PRO   3          1HD       PRO   3  -8.871  -0.493   0.478
   19   2HD   PRO   3          2HD       PRO   3  -9.685   0.878  -0.306
   20    H    CYS   4           H        CYS   4  -4.380   0.569  -1.424
   21    HA   CYS   4           HA       CYS   4  -4.035  -2.385  -1.600
   22   1HB   CYS   4          2HB       CYS   4  -1.536  -1.702  -1.590
   23   2HB   CYS   4          1HB       CYS   4  -2.441  -1.441  -3.072
   24    H    CYS   5           H        CYS   5  -2.530   0.262   0.326
   25    HA   CYS   5           HA       CYS   5  -1.981  -1.651   2.461
   26   1HB   CYS   5          2HB       CYS   5  -1.415   1.300   2.210
   27   2HB   CYS   5          1HB       CYS   5  -0.899   0.294   3.563
   28    H    ASN   6           H        ASN   6  -4.636  -1.666   2.393
   29    HA   ASN   6           HA       ASN   6  -5.647   0.360   4.311
   30   1HB   ASN   6          2HB       ASN   6  -7.005  -0.662   2.308
   31   2HB   ASN   6          1HB       ASN   6  -7.189  -2.063   3.365
   32   1HD2  ASN   6          2HD2      ASN   6  -9.844   0.718   3.900
   33   2HD2  ASN   6          1HD2      ASN   6  -9.138   0.202   2.446
   34    H    ASP   7           H        ASP   7  -4.474  -2.857   4.009
   35    HA   ASP   7           HA       ASP   7  -4.124  -3.133   6.881
   36   1HB   ASP   7          2HB       ASP   7  -5.271  -5.544   6.507
   37   2HB   ASP   7          1HB       ASP   7  -6.147  -4.154   7.143
   38    H    LYS   8           H        LYS   8  -2.702  -3.130   4.207
   39    HA   LYS   8           HA       LYS   8  -0.968  -5.430   4.783
   40   1HB   LYS   8          2HB       LYS   8  -1.144  -6.471   2.635
   41   2HB   LYS   8          1HB       LYS   8  -2.779  -6.294   3.264
   42   1HG   LYS   8          2HG       LYS   8  -2.270  -3.901   1.844
   43   2HG   LYS   8          1HG       LYS   8  -1.627  -5.185   0.820
   44   1HD   LYS   8          2HD       LYS   8  -4.368  -5.390   2.085
   45   2HD   LYS   8          1HD       LYS   8  -4.120  -4.592   0.531
   46   1HE   LYS   8          2HE       LYS   8  -4.471  -6.716  -0.263
   47   2HE   LYS   8          1HE       LYS   8  -2.745  -6.865   0.071
   48   1HZ   LYS   8          3HZ       LYS   8  -4.801  -7.484   2.106
   49   2HZ   LYS   8          2HZ       LYS   8  -4.241  -8.653   1.007
   50   3HZ   LYS   8          1HZ       LYS   8  -3.163  -7.926   2.100
   51    H    CYS   9           H        CYS   9   0.760  -3.876   5.072
   52    HA   CYS   9           HA       CYS   9   1.388  -1.950   2.985
   53   1HB   CYS   9          2HB       CYS   9   2.337  -2.035   5.410
   54   2HB   CYS   9          1HB       CYS   9   3.467  -3.230   4.769
   55    H    VAL  10           H        VAL  10   1.435  -2.920   1.003
   56    HA   VAL  10           HA       VAL  10   2.894  -5.493   0.608
   57    HB   VAL  10           HB       VAL  10   1.727  -5.113  -1.717
   58   1HG1  VAL  10          1HG1      VAL  10   0.741  -6.248   0.852
   59   2HG1  VAL  10          3HG1      VAL  10  -0.404  -6.157  -0.488
   60   3HG1  VAL  10          2HG1      VAL  10   1.096  -7.067  -0.669
   61   1HG2  VAL  10          2HG2      VAL  10   0.850  -2.878  -1.087
   62   2HG2  VAL  10          1HG2      VAL  10  -0.451  -4.005  -1.474
   63   3HG2  VAL  10          3HG2      VAL  10  -0.077  -3.631   0.201
   64    H    CYS  11           H        CYS  11   4.206  -2.769   0.793
   65    HA   CYS  11           HA       CYS  11   5.051  -2.333  -1.978
   66   1HB   CYS  11          2HB       CYS  11   4.837  -0.756   0.196
   67   2HB   CYS  11          1HB       CYS  11   6.547  -1.166   0.276
   68    H    GLN  12           H        GLN  12   6.217  -3.853   0.953
   69    HA   GLN  12           HA       GLN  12   8.908  -4.238   0.376
   70   1HB   GLN  12          2HB       GLN  12   7.157  -5.263   2.253
   71   2HB   GLN  12          1HB       GLN  12   7.647  -6.693   1.346
   72   1HG   GLN  12          2HG       GLN  12   9.883  -6.479   1.949
   73   2HG   GLN  12          1HG       GLN  12   9.749  -4.740   2.220
   74   1HE2  GLN  12          2HE2      GLN  12   9.379  -7.160   5.361
   75   2HE2  GLN  12          1HE2      GLN  12  10.077  -7.617   3.883
   76    H    GLU  13           H        GLU  13   6.160  -5.566  -1.139
   77    HA   GLU  13           HA       GLU  13   7.980  -7.115  -2.943
   78   1HB   GLU  13          2HB       GLU  13   5.177  -7.796  -2.009
   79   2HB   GLU  13          1HB       GLU  13   5.976  -8.613  -3.354
   80   1HG   GLU  13          2HG       GLU  13   7.934  -8.791  -1.503
   81   2HG   GLU  13          1HG       GLU  13   6.527  -8.788  -0.439
   82    H    GLY  14           H        GLY  14   4.607  -6.901  -3.655
   83   1HA   GLY  14          2HA       GLY  14   4.778  -4.452  -5.232
   84   2HA   GLY  14          1HA       GLY  14   4.759  -5.918  -6.221
   85    H    GLY  15           H        GLY  15   3.162  -5.816  -3.140
   86   1HA   GLY  15          2HA       GLY  15   0.627  -6.496  -4.411
   87   2HA   GLY  15          1HA       GLY  15   0.944  -6.447  -2.682
   88    H    CYS  16           H        CYS  16   2.054  -3.490  -3.482
   89    HA   CYS  16           HA       CYS  16  -0.123  -2.124  -2.396
   90   1HB   CYS  16          2HB       CYS  16   2.302  -1.382  -3.973
   91   2HB   CYS  16          1HB       CYS  16   1.003  -0.220  -3.886
   92    H    LYS  17           H        LYS  17  -0.829  -0.072  -4.082
   93    HA   LYS  17           HA       LYS  17  -1.922  -1.290  -6.556
   94   1HB   LYS  17          2HB       LYS  17  -3.534  -0.260  -4.233
   95   2HB   LYS  17          1HB       LYS  17  -4.174  -0.145  -5.872
   96   1HG   LYS  17          2HG       LYS  17  -3.185  -2.740  -5.740
   97   2HG   LYS  17          1HG       LYS  17  -3.908  -2.489  -4.151
   98   1HD   LYS  17          2HD       LYS  17  -6.033  -2.273  -4.997
   99   2HD   LYS  17          1HD       LYS  17  -5.473  -1.533  -6.496
  100   1HE   LYS  17          2HE       LYS  17  -6.416  -3.989  -6.531
  101   2HE   LYS  17          1HE       LYS  17  -4.991  -3.586  -7.489
  102   1HZ   LYS  17          3HZ       LYS  17  -4.502  -4.380  -4.738
  103   2HZ   LYS  17          2HZ       LYS  17  -5.070  -5.604  -5.771
  104   3HZ   LYS  17          1HZ       LYS  17  -3.643  -4.764  -6.149
  105    H    ALA  18           H        ALA  18  -3.546   0.749  -7.397
  106    HA   ALA  18           HA       ALA  18  -1.582   2.908  -7.858
  107   1HB   ALA  18          1HB       ALA  18  -2.927   1.865  -9.730
  108   2HB   ALA  18          3HB       ALA  18  -4.361   2.616  -9.028
  109   3HB   ALA  18          2HB       ALA  18  -3.047   3.622  -9.636
  110    H    GLY  19           H        GLY  19  -2.836   2.661  -5.229
  111   1HA   GLY  19          2HA       GLY  19  -3.717   5.435  -4.934
  112   2HA   GLY  19          1HA       GLY  19  -4.975   4.246  -4.575
  113    H    CYS  20           H        CYS  20  -1.487   4.606  -3.900
  114    HA   CYS  20           HA       CYS  20  -1.684   3.167  -1.408
  115   1HB   CYS  20          2HB       CYS  20   0.368   3.496  -2.949
  116   2HB   CYS  20          1HB       CYS  20   0.554   5.045  -2.130
  117    H    GLN  21           H        GLN  21  -2.716   4.008   0.317
  118    HA   GLN  21           HA       GLN  21  -2.542   6.942   0.819
  119   1HB   GLN  21          2HB       GLN  21  -4.256   6.225   2.690
  120   2HB   GLN  21          1HB       GLN  21  -4.803   6.349   1.018
  121   1HG   GLN  21          2HG       GLN  21  -4.580   3.961   0.699
  122   2HG   GLN  21          1HG       GLN  21  -3.819   3.776   2.280
  123   1HE2  GLN  21          2HE2      GLN  21  -7.882   4.235   2.039
  124   2HE2  GLN  21          1HE2      GLN  21  -6.915   4.549   0.680
  125    H    CYS  22           H        CYS  22  -1.742   3.774   2.075
  126    HA   CYS  22           HA       CYS  22  -0.959   4.284   4.695
  127   1HB   CYS  22          2HB       CYS  22  -0.770   2.049   4.054
  128   2HB   CYS  22          1HB       CYS  22  -0.079   2.457   2.499
  129    H    THR  23           H        THR  23   1.200   4.700   5.558
  130    HA   THR  23           HA       THR  23   3.021   6.214   3.752
  131    HB   THR  23           HB       THR  23   1.699   7.902   4.950
  132    HG1  THR  23           HG1      THR  23   4.372   7.476   5.471
  133   1HG2  THR  23          1HG2      THR  23   2.551   6.353   7.408
  134   2HG2  THR  23          3HG2      THR  23   1.813   7.954   7.458
  135   3HG2  THR  23          2HG2      THR  23   0.905   6.585   6.816
  136    H    SER  24           H        SER  24   3.638   3.716   4.209
  137    HA   SER  24           HA       SER  24   5.715   3.827   6.331
  138   1HB   SER  24          2HB       SER  24   4.556   1.170   6.087
  139   2HB   SER  24          1HB       SER  24   4.833   2.140   7.530
  140    HG   SER  24           HG       SER  24   2.719   2.244   7.484
  141    H    CYS  25           H        CYS  25   4.942   3.079   3.071
  142    HA   CYS  25           HA       CYS  25   7.310   1.361   2.883
  143   1HB   CYS  25          2HB       CYS  25   6.306   0.962   0.523
  144   2HB   CYS  25          1HB       CYS  25   5.576   0.149   1.880
  145    NH1  ARG  26           NH1      ARG  26  10.506   5.008  -3.702
  146    NH2  ARG  26           NH2      ARG  26  12.735   5.319  -3.907
  147    H    ARG  26           H        ARG  26   7.567   1.944   0.224
  148    HA   ARG  26           HA       ARG  26   8.351   4.816   0.119
  149   1HB   ARG  26          2HB       ARG  26  10.094   2.578   0.006
  150   2HB   ARG  26          1HB       ARG  26   9.929   3.139  -1.659
  151   1HG   ARG  26          2HG       ARG  26  10.341   5.501  -0.720
  152   2HG   ARG  26          1HG       ARG  26  10.891   4.690   0.747
  153   1HD   ARG  26          2HD       ARG  26  12.702   5.252  -0.973
  154   2HD   ARG  26          1HD       ARG  26  12.659   3.583  -0.407
  155    HE   ARG  26           HE       ARG  26  11.959   2.909  -2.573
  156   1HH1  ARG  26          2HH1      ARG  26   9.731   4.558  -3.257
  157   2HH1  ARG  26          1HH1      ARG  26  10.347   5.670  -4.435
  158   1HH2  ARG  26          1HH2      ARG  26  13.669   5.106  -3.620
  159   2HH2  ARG  26          2HH2      ARG  26  12.575   5.980  -4.639
  160    H    CYS  27           H        CYS  27   6.364   5.236  -0.937
  161    HA   CYS  27           HA       CYS  27   5.898   3.658  -3.430
  162   1HB   CYS  27          2HB       CYS  27   4.311   4.323  -1.224
  163   2HB   CYS  27          1HB       CYS  27   3.759   5.396  -2.498
  164    H    SER  28           HN       SER  28   4.858   6.854  -2.321
  165    HA   SER  28           HA       SER  28   5.691   7.967  -4.969
  166   1HB   SER  28          2HB       SER  28   3.349   8.336  -4.561
  167   2HB   SER  28          1HB       SER  28   3.663   8.901  -2.922
  168    HG   SER  28           HG       SER  28   3.390  10.682  -4.241
   
  Start of MODEL          15
 Raw file had  168 H/Q atoms
  Start of MODEL   15
    1   1H    PRO   1          1H        PRO   1  11.634  -3.631   3.184
    2   2H    PRO   1          2H        PRO   1  12.859  -3.009   4.185
    3    HA   PRO   1           HA       PRO   1  13.499  -1.621   2.590
    4   1HB   PRO   1          2HB       PRO   1  13.802  -3.333   0.309
    5   2HB   PRO   1          1HB       PRO   1  15.068  -2.680   1.358
    6   1HG   PRO   1          2HG       PRO   1  14.128  -5.379   1.213
    7   2HG   PRO   1          1HG       PRO   1  15.373  -4.715   2.281
    8   1HD   PRO   1          1HD       PRO   1  12.713  -5.544   2.970
    9   2HD   PRO   1          2HD       PRO   1  13.972  -4.911   4.035
   10    H    GLY   2           H        GLY   2  11.337  -4.078   1.141
   11   1HA   GLY   2          2HA       GLY   2  10.219  -2.172  -0.750
   12   2HA   GLY   2          1HA       GLY   2   9.613  -3.800  -0.447
   13    HA   PRO   3           HA       PRO   3   7.202  -0.438   1.965
   14   1HB   PRO   3          2HB       PRO   3   5.622   0.703   0.025
   15   2HB   PRO   3          1HB       PRO   3   7.182   1.372   0.536
   16   1HG   PRO   3          2HG       PRO   3   6.501  -0.100  -1.967
   17   2HG   PRO   3          1HG       PRO   3   7.780   1.091  -1.677
   18   1HD   PRO   3          1HD       PRO   3   8.125  -1.716  -1.800
   19   2HD   PRO   3          2HD       PRO   3   9.312  -0.543  -1.192
   20    H    CYS   4           H        CYS   4   4.488  -0.117   1.327
   21    HA   CYS   4           HA       CYS   4   3.526  -2.862   1.682
   22   1HB   CYS   4          2HB       CYS   4   1.229  -1.630   1.604
   23   2HB   CYS   4          1HB       CYS   4   2.243  -1.390   3.018
   24    H    CYS   5           H        CYS   5   2.431  -0.286  -0.570
   25    HA   CYS   5           HA       CYS   5   1.346  -2.289  -2.376
   26   1HB   CYS   5          2HB       CYS   5   1.544   0.715  -2.575
   27   2HB   CYS   5          1HB       CYS   5   0.693  -0.307  -3.732
   28    H    ASN   6           H        ASN   6   4.072  -2.744  -2.240
   29    HA   ASN   6           HA       ASN   6   5.274  -1.426  -4.606
   30   1HB   ASN   6          2HB       ASN   6   6.429  -2.368  -2.316
   31   2HB   ASN   6          1HB       ASN   6   6.619  -3.772  -3.369
   32   1HD2  ASN   6          2HD2      ASN   6   8.993  -2.198  -5.495
   33   2HD2  ASN   6          1HD2      ASN   6   7.961  -3.530  -5.296
   34    H    ASP   7           H        ASP   7   3.561  -4.201  -3.587
   35    HA   ASP   7           HA       ASP   7   3.232  -5.123  -6.334
   36   1HB   ASP   7          2HB       ASP   7   5.182  -6.356  -4.627
   37   2HB   ASP   7          1HB       ASP   7   3.841  -7.482  -4.843
   38    H    LYS   8           H        LYS   8   1.778  -4.112  -3.770
   39    HA   LYS   8           HA       LYS   8  -0.504  -5.902  -4.078
   40   1HB   LYS   8          2HB       LYS   8  -0.597  -6.808  -1.901
   41   2HB   LYS   8          1HB       LYS   8   1.090  -6.989  -2.369
   42   1HG   LYS   8          2HG       LYS   8   1.225  -4.541  -1.205
   43   2HG   LYS   8          1HG       LYS   8  -0.121  -5.217  -0.286
   44   1HD   LYS   8          2HD       LYS   8   2.127  -7.087  -0.662
   45   2HD   LYS   8          1HD       LYS   8   2.534  -5.653   0.282
   46   1HE   LYS   8          2HE       LYS   8   0.621  -6.071   1.770
   47   2HE   LYS   8          1HE       LYS   8   0.178  -7.487   0.816
   48   1HZ   LYS   8          3HZ       LYS   8   2.728  -8.019   1.338
   49   2HZ   LYS   8          2HZ       LYS   8   2.327  -7.139   2.736
   50   3HZ   LYS   8          1HZ       LYS   8   1.448  -8.534   2.326
   51    H    CYS   9           H        CYS   9  -2.031  -4.271  -4.392
   52    HA   CYS   9           HA       CYS   9  -1.935  -1.832  -2.740
   53   1HB   CYS   9          2HB       CYS   9  -2.975  -2.012  -5.109
   54   2HB   CYS   9          1HB       CYS   9  -4.333  -2.810  -4.315
   55    H    VAL  10           H        VAL  10  -2.097  -2.479  -0.641
   56    HA   VAL  10           HA       VAL  10  -4.130  -4.492   0.175
   57    HB   VAL  10           HB       VAL  10  -2.760  -4.006   2.402
   58   1HG1  VAL  10          2HG1      VAL  10  -1.984  -5.804   0.102
   59   2HG1  VAL  10          1HG1      VAL  10  -1.317  -5.959   1.727
   60   3HG1  VAL  10          3HG1      VAL  10  -3.041  -6.206   1.454
   61   1HG2  VAL  10          1HG2      VAL  10  -1.299  -2.324   1.342
   62   2HG2  VAL  10          3HG2      VAL  10  -0.364  -3.730   1.848
   63   3HG2  VAL  10          2HG2      VAL  10  -0.790  -3.521   0.157
   64    H    CYS  11           H        CYS  11  -4.708  -1.533  -0.367
   65    HA   CYS  11           HA       CYS  11  -5.267  -0.565   2.334
   66   1HB   CYS  11          2HB       CYS  11  -4.846   0.619  -0.042
   67   2HB   CYS  11          1HB       CYS  11  -6.604   0.616  -0.007
   68    H    GLN  12           H        GLN  12  -6.961  -2.099  -0.321
   69    HA   GLN  12           HA       GLN  12  -9.611  -1.751   0.429
   70   1HB   GLN  12          2HB       GLN  12  -8.239  -3.415  -1.354
   71   2HB   GLN  12          1HB       GLN  12  -9.157  -4.511  -0.321
   72   1HG   GLN  12          2HG       GLN  12 -10.772  -4.030  -1.904
   73   2HG   GLN  12          1HG       GLN  12 -11.088  -2.730  -0.754
   74   1HE2  GLN  12          2HE2      GLN  12 -10.682  -1.285  -4.220
   75   2HE2  GLN  12          1HE2      GLN  12 -11.689  -2.491  -3.577
   76    H    GLU  13           H        GLU  13  -7.160  -3.501   2.014
   77    HA   GLU  13           HA       GLU  13  -9.186  -4.411   4.015
   78   1HB   GLU  13          2HB       GLU  13  -7.310  -6.204   4.498
   79   2HB   GLU  13          1HB       GLU  13  -8.446  -6.452   3.171
   80   1HG   GLU  13          2HG       GLU  13  -5.857  -4.984   2.711
   81   2HG   GLU  13          1HG       GLU  13  -5.903  -6.747   2.689
   82    H    GLY  14           H        GLY  14  -5.824  -4.944   4.598
   83   1HA   GLY  14          2HA       GLY  14  -5.333  -2.394   5.934
   84   2HA   GLY  14          1HA       GLY  14  -5.602  -3.732   7.058
   85    H    GLY  15           H        GLY  15  -4.137  -4.118   3.908
   86   1HA   GLY  15          2HA       GLY  15  -1.761  -5.279   5.184
   87   2HA   GLY  15          1HA       GLY  15  -2.182  -5.388   3.482
   88    H    CYS  16           H        CYS  16  -2.535  -2.154   3.921
   89    HA   CYS  16           HA       CYS  16  -0.205  -1.499   2.535
   90   1HB   CYS  16          2HB       CYS  16  -2.247   0.006   4.101
   91   2HB   CYS  16          1HB       CYS  16  -0.721   0.793   3.787
   92    H    LYS  17           H        LYS  17   1.097   0.525   3.864
   93    HA   LYS  17           HA       LYS  17   2.135  -0.593   6.407
   94   1HB   LYS  17          2HB       LYS  17   3.672  -0.323   3.836
   95   2HB   LYS  17          1HB       LYS  17   4.506  -0.130   5.377
   96   1HG   LYS  17          2HG       LYS  17   2.829  -2.431   5.577
   97   2HG   LYS  17          1HG       LYS  17   3.750  -2.558   4.077
   98   1HD   LYS  17          2HD       LYS  17   5.277  -3.462   5.569
   99   2HD   LYS  17          1HD       LYS  17   5.749  -1.763   5.626
  100   1HE   LYS  17          2HE       LYS  17   5.538  -2.182   7.891
  101   2HE   LYS  17          1HE       LYS  17   3.890  -1.673   7.526
  102   1HZ   LYS  17          2HZ       LYS  17   3.830  -4.301   6.943
  103   2HZ   LYS  17          1HZ       LYS  17   4.889  -4.270   8.272
  104   3HZ   LYS  17          3HZ       LYS  17   3.327  -3.625   8.419
  105    H    ALA  18           H        ALA  18   4.292   1.075   6.782
  106    HA   ALA  18           HA       ALA  18   2.964   3.704   7.051
  107   1HB   ALA  18          2HB       ALA  18   5.314   2.348   8.291
  108   2HB   ALA  18          1HB       ALA  18   5.347   4.109   8.211
  109   3HB   ALA  18          3HB       ALA  18   4.031   3.288   9.051
  110    H    GLY  19           H        GLY  19   3.998   2.645   4.424
  111   1HA   GLY  19          2HA       GLY  19   5.401   5.105   3.617
  112   2HA   GLY  19          1HA       GLY  19   6.306   3.606   3.378
  113    H    CYS  20           H        CYS  20   2.918   4.625   2.909
  114    HA   CYS  20           HA       CYS  20   2.481   2.871   0.699
  115   1HB   CYS  20          2HB       CYS  20   0.768   4.041   2.232
  116   2HB   CYS  20          1HB       CYS  20   0.961   5.427   1.161
  117    H    GLN  21           H        GLN  21   3.889   3.120  -1.024
  118    HA   GLN  21           HA       GLN  21   4.437   5.803  -2.116
  119   1HB   GLN  21          2HB       GLN  21   5.628   3.182  -2.313
  120   2HB   GLN  21          1HB       GLN  21   5.258   3.775  -3.932
  121   1HG   GLN  21          2HG       GLN  21   6.821   5.421  -3.819
  122   2HG   GLN  21          1HG       GLN  21   6.435   5.799  -2.140
  123   1HE2  GLN  21          2HE2      GLN  21   9.460   4.254  -1.192
  124   2HE2  GLN  21          1HE2      GLN  21   8.482   5.640  -1.134
  125    H    CYS  22           H        CYS  22   2.555   2.921  -2.818
  126    HA   CYS  22           HA       CYS  22   1.606   3.433  -5.399
  127   1HB   CYS  22          2HB       CYS  22   0.962   1.370  -4.464
  128   2HB   CYS  22          1HB       CYS  22   0.505   2.110  -2.943
  129    H    THR  23           H        THR  23  -0.461   4.355  -6.054
  130    HA   THR  23           HA       THR  23  -1.635   6.367  -4.213
  131    HB   THR  23           HB       THR  23   0.043   7.579  -5.576
  132    HG1  THR  23           HG1      THR  23  -2.497   8.140  -6.656
  133   1HG2  THR  23          2HG2      THR  23  -0.553   5.753  -7.520
  134   2HG2  THR  23          1HG2      THR  23  -1.432   7.169  -8.099
  135   3HG2  THR  23          3HG2      THR  23   0.306   7.266  -7.812
  136    H    SER  24           H        SER  24  -2.926   4.102  -4.583
  137    HA   SER  24           HA       SER  24  -5.033   4.782  -6.568
  138   1HB   SER  24          2HB       SER  24  -3.301   2.389  -6.530
  139   2HB   SER  24          1HB       SER  24  -5.020   2.066  -6.736
  140    HG   SER  24           HG       SER  24  -3.567   3.996  -8.229
  141    H    CYS  25           H        CYS  25  -4.343   3.995  -3.346
  142    HA   CYS  25           HA       CYS  25  -6.962   2.735  -3.009
  143   1HB   CYS  25          2HB       CYS  25  -5.943   2.517  -0.582
  144   2HB   CYS  25          1HB       CYS  25  -5.539   1.358  -1.818
  145    NH1  ARG  26           NH2      ARG  26 -11.996   5.048  -2.961
  146    NH2  ARG  26           NH1      ARG  26 -13.663   4.434  -1.563
  147    H    ARG  26           H        ARG  26  -7.098   3.589  -0.411
  148    HA   ARG  26           HA       ARG  26  -7.567   6.526  -0.626
  149   1HB   ARG  26          2HB       ARG  26  -9.117   4.440   0.969
  150   2HB   ARG  26          1HB       ARG  26  -9.401   6.179   1.049
  151   1HG   ARG  26          2HG       ARG  26  -9.381   5.199  -1.702
  152   2HG   ARG  26          1HG       ARG  26 -10.618   4.406  -0.724
  153   1HD   ARG  26          2HD       ARG  26 -10.715   7.123   0.005
  154   2HD   ARG  26          1HD       ARG  26 -10.573   7.113  -1.753
  155    HE   ARG  26           HE       ARG  26 -12.963   6.576  -0.440
  156   1HH1  ARG  26          1HH2      ARG  26 -11.219   5.640  -3.175
  157   2HH1  ARG  26          2HH2      ARG  26 -12.273   4.335  -3.606
  158   1HH2  ARG  26          2HH1      ARG  26 -14.162   4.555  -0.705
  159   2HH2  ARG  26          1HH1      ARG  26 -13.940   3.720  -2.207
  160    H    CYS  27           H        CYS  27  -5.283   6.514   0.055
  161    HA   CYS  27           HA       CYS  27  -4.813   5.508   2.812
  162   1HB   CYS  27          2HB       CYS  27  -3.385   5.478   0.407
  163   2HB   CYS  27          1HB       CYS  27  -2.573   6.696   1.375
  164    H    SER  28           HN       SER  28  -3.494   8.221   0.969
  165    HA   SER  28           HA       SER  28  -4.250  10.067   3.203
  166   1HB   SER  28          2HB       SER  28  -1.813   9.416   3.268
  167   2HB   SER  28          1HB       SER  28  -1.631  10.153   1.678
  168    HG   SER  28           HG       SER  28  -1.125  11.627   3.335
   
  Start of MODEL          16
 Raw file had  168 H/Q atoms
  Start of MODEL   16
    1   1H    PRO   1          1H        PRO   1  11.359  -0.046  -0.340
    2   2H    PRO   1          2H        PRO   1  12.864  -0.428   0.354
    3    HA   PRO   1           HA       PRO   1  13.663   1.553  -0.209
    4   1HB   PRO   1          2HB       PRO   1  13.005   1.769  -2.992
    5   2HB   PRO   1          1HB       PRO   1  14.569   1.367  -2.269
    6   1HG   PRO   1          2HG       PRO   1  12.773  -0.380  -3.653
    7   2HG   PRO   1          1HG       PRO   1  14.330  -0.780  -2.912
    8   1HD   PRO   1          1HD       PRO   1  11.706  -1.474  -1.985
    9   2HD   PRO   1          2HD       PRO   1  13.263  -1.883  -1.259
   10    H    GLY   2           H        GLY   2  11.111   1.591  -2.692
   11   1HA   GLY   2          2HA       GLY   2   9.748   3.732  -1.108
   12   2HA   GLY   2          1HA       GLY   2  10.023   3.912  -2.841
   13    HA   PRO   3           HA       PRO   3   6.795   0.401  -2.385
   14   1HB   PRO   3          2HB       PRO   3   5.918  -0.140   0.168
   15   2HB   PRO   3          1HB       PRO   3   7.286  -0.967  -0.596
   16   1HG   PRO   3          2HG       PRO   3   7.305   1.133   1.517
   17   2HG   PRO   3          1HG       PRO   3   8.497  -0.133   1.185
   18   1HD   PRO   3          1HD       PRO   3   8.734   2.592   0.464
   19   2HD   PRO   3          2HD       PRO   3   9.734   1.259  -0.154
   20    H    CYS   4           H        CYS   4   4.412   0.408  -0.750
   21    HA   CYS   4           HA       CYS   4   3.512   3.233  -1.165
   22   1HB   CYS   4          2HB       CYS   4   1.192   2.014  -1.269
   23   2HB   CYS   4          1HB       CYS   4   2.192   2.041  -2.716
   24    H    CYS   5           H        CYS   5   2.460   0.321   0.656
   25    HA   CYS   5           HA       CYS   5   1.328   2.008   2.743
   26   1HB   CYS   5          2HB       CYS   5   1.538  -0.988   2.465
   27   2HB   CYS   5          1HB       CYS   5   0.681  -0.162   3.766
   28    H    ASN   6           H        ASN   6   3.963   2.610   2.784
   29    HA   ASN   6           HA       ASN   6   5.259   0.926   4.855
   30   1HB   ASN   6          2HB       ASN   6   6.606   1.976   2.983
   31   2HB   ASN   6          1HB       ASN   6   6.206   3.555   3.656
   32   1HD2  ASN   6          2HD2      ASN   6   8.437   1.139   6.130
   33   2HD2  ASN   6          1HD2      ASN   6   7.123   0.472   5.287
   34    H    ASP   7           H        ASP   7   3.552   3.873   4.321
   35    HA   ASP   7           HA       ASP   7   3.084   4.204   7.206
   36   1HB   ASP   7          2HB       ASP   7   3.767   6.504   7.245
   37   2HB   ASP   7          1HB       ASP   7   5.118   5.572   6.599
   38    H    LYS   8           H        LYS   8   1.775   3.688   4.421
   39    HA   LYS   8           HA       LYS   8  -0.614   5.280   5.003
   40   1HB   LYS   8          2HB       LYS   8  -0.670   6.603   3.089
   41   2HB   LYS   8          1HB       LYS   8   1.041   6.628   3.492
   42   1HG   LYS   8          2HG       LYS   8   1.135   4.512   1.876
   43   2HG   LYS   8          1HG       LYS   8  -0.354   5.203   1.230
   44   1HD   LYS   8          2HD       LYS   8   1.086   6.411  -0.063
   45   2HD   LYS   8          1HD       LYS   8   1.187   7.436   1.370
   46   1HE   LYS   8          2HE       LYS   8   3.022   5.485   1.962
   47   2HE   LYS   8          1HE       LYS   8   3.203   5.623   0.213
   48   1HZ   LYS   8          2HZ       LYS   8   2.970   8.195   1.304
   49   2HZ   LYS   8          1HZ       LYS   8   4.158   7.355   2.181
   50   3HZ   LYS   8          3HZ       LYS   8   4.298   7.508   0.499
   51    H    CYS   9           H        CYS   9  -2.147   3.667   4.969
   52    HA   CYS   9           HA       CYS   9  -1.979   1.496   2.972
   53   1HB   CYS   9          2HB       CYS   9  -3.076   1.289   5.312
   54   2HB   CYS   9          1HB       CYS   9  -4.415   2.210   4.624
   55    H    VAL  10           H        VAL  10  -2.138   2.425   0.989
   56    HA   VAL  10           HA       VAL  10  -4.155   4.562   0.485
   57    HB   VAL  10           HB       VAL  10  -2.735   4.459  -1.759
   58   1HG1  VAL  10          3HG1      VAL  10  -2.322   5.889   0.831
   59   2HG1  VAL  10          2HG1      VAL  10  -1.147   6.133  -0.462
   60   3HG1  VAL  10          1HG1      VAL  10  -2.844   6.531  -0.726
   61   1HG2  VAL  10          3HG2      VAL  10  -1.307   2.603  -0.965
   62   2HG2  VAL  10          2HG2      VAL  10  -0.354   4.064  -1.226
   63   3HG2  VAL  10          1HG2      VAL  10  -0.806   3.587   0.408
   64    H    CYS  11           H        CYS  11  -4.744   1.570   0.538
   65    HA   CYS  11           HA       CYS  11  -5.240   1.024  -2.292
   66   1HB   CYS  11          2HB       CYS  11  -4.847  -0.503  -0.113
   67   2HB   CYS  11          1HB       CYS  11  -6.605  -0.520  -0.186
   68    H    GLN  12           H        GLN  12  -7.042   2.100   0.539
   69    HA   GLN  12           HA       GLN  12  -9.656   1.849  -0.371
   70   1HB   GLN  12          2HB       GLN  12  -8.679   4.341   1.015
   71   2HB   GLN  12          1HB       GLN  12 -10.275   3.600   1.130
   72   1HG   GLN  12          2HG       GLN  12  -9.051   1.537   2.078
   73   2HG   GLN  12          1HG       GLN  12  -7.671   2.615   2.292
   74   1HE2  GLN  12          2HE2      GLN  12  -9.948   2.649   5.350
   75   2HE2  GLN  12          1HE2      GLN  12  -9.289   1.367   4.453
   76    H    GLU  13           H        GLU  13  -7.169   3.868  -1.523
   77    HA   GLU  13           HA       GLU  13  -9.117   5.089  -3.434
   78   1HB   GLU  13          2HB       GLU  13  -6.563   6.298  -2.321
   79   2HB   GLU  13          1HB       GLU  13  -7.585   7.045  -3.549
   80   1HG   GLU  13          2HG       GLU  13  -9.306   7.475  -2.047
   81   2HG   GLU  13          1HG       GLU  13  -8.821   6.171  -0.963
   82    H    GLY  14           H        GLY  14  -5.746   5.660  -3.839
   83   1HA   GLY  14          2HA       GLY  14  -5.213   3.318  -5.489
   84   2HA   GLY  14          1HA       GLY  14  -5.452   4.794  -6.432
   85    H    GLY  15           H        GLY  15  -4.151   4.950  -3.219
   86   1HA   GLY  15          2HA       GLY  15  -1.740   6.232  -4.250
   87   2HA   GLY  15          1HA       GLY  15  -2.170   6.039  -2.557
   88    H    CYS  16           H        CYS  16  -2.525   2.950  -3.491
   89    HA   CYS  16           HA       CYS  16  -0.148   2.075  -2.295
   90   1HB   CYS  16          2HB       CYS  16  -2.275   0.840  -3.995
   91   2HB   CYS  16          1HB       CYS  16  -0.758  -0.004  -3.829
   92    H    LYS  17           H        LYS  17   1.077   0.263  -3.929
   93    HA   LYS  17           HA       LYS  17   1.878   1.602  -6.437
   94   1HB   LYS  17          2HB       LYS  17   3.619   1.286  -4.020
   95   2HB   LYS  17          1HB       LYS  17   4.349   1.103  -5.617
   96   1HG   LYS  17          2HG       LYS  17   4.103   3.309  -6.125
   97   2HG   LYS  17          1HG       LYS  17   2.538   3.421  -5.322
   98   1HD   LYS  17          2HD       LYS  17   3.700   3.386  -3.120
   99   2HD   LYS  17          1HD       LYS  17   5.248   3.387  -3.966
  100   1HE   LYS  17          2HE       LYS  17   3.131   5.518  -4.350
  101   2HE   LYS  17          1HE       LYS  17   4.480   5.673  -3.224
  102   1HZ   LYS  17          2HZ       LYS  17   5.425   4.826  -5.742
  103   2HZ   LYS  17          1HZ       LYS  17   4.476   6.221  -5.941
  104   3HZ   LYS  17          3HZ       LYS  17   5.803   6.243  -4.884
  105    H    ALA  18           H        ALA  18   4.004   0.015  -7.156
  106    HA   ALA  18           HA       ALA  18   2.683  -2.610  -7.454
  107   1HB   ALA  18          1HB       ALA  18   4.793  -1.102  -8.880
  108   2HB   ALA  18          3HB       ALA  18   5.034  -2.848  -8.817
  109   3HB   ALA  18          2HB       ALA  18   3.556  -2.187  -9.517
  110    H    GLY  19           H        GLY  19   3.708  -1.926  -4.842
  111   1HA   GLY  19          2HA       GLY  19   5.350  -4.308  -4.369
  112   2HA   GLY  19          1HA       GLY  19   6.153  -2.780  -3.986
  113    H    CYS  20           H        CYS  20   2.894  -4.155  -3.534
  114    HA   CYS  20           HA       CYS  20   2.496  -2.691  -1.066
  115   1HB   CYS  20          2HB       CYS  20   0.744  -3.497  -2.795
  116   2HB   CYS  20          1HB       CYS  20   0.854  -5.046  -1.961
  117    H    GLN  21           H        GLN  21   3.694  -3.294   0.696
  118    HA   GLN  21           HA       GLN  21   4.100  -6.189   1.234
  119   1HB   GLN  21          2HB       GLN  21   5.755  -5.540   2.818
  120   2HB   GLN  21          1HB       GLN  21   5.979  -4.429   1.468
  121   1HG   GLN  21          2HG       GLN  21   4.748  -2.686   2.618
  122   2HG   GLN  21          1HG       GLN  21   4.304  -3.797   3.915
  123   1HE2  GLN  21          2HE2      GLN  21   7.204  -2.999   5.723
  124   2HE2  GLN  21          1HE2      GLN  21   5.564  -3.434   5.738
  125    H    CYS  22           H        CYS  22   2.454  -3.319   2.389
  126    HA   CYS  22           HA       CYS  22   1.561  -4.063   4.918
  127   1HB   CYS  22          2HB       CYS  22   0.923  -1.915   4.255
  128   2HB   CYS  22          1HB       CYS  22   0.483  -2.442   2.646
  129    H    THR  23           H        THR  23  -0.549  -4.984   5.539
  130    HA   THR  23           HA       THR  23  -1.750  -6.833   3.540
  131    HB   THR  23           HB       THR  23  -0.175  -8.207   4.808
  132    HG1  THR  23           HG1      THR  23  -2.623  -8.705   4.532
  133   1HG2  THR  23          1HG2      THR  23  -1.386  -6.721   7.106
  134   2HG2  THR  23          3HG2      THR  23  -0.807  -8.365   7.374
  135   3HG2  THR  23          2HG2      THR  23   0.304  -7.122   6.798
  136    H    SER  24           H        SER  24  -2.982  -4.568   4.023
  137    HA   SER  24           HA       SER  24  -5.164  -5.289   5.915
  138   1HB   SER  24          2HB       SER  24  -3.893  -2.549   5.662
  139   2HB   SER  24          1HB       SER  24  -5.283  -2.947   6.668
  140    HG   SER  24           HG       SER  24  -2.746  -4.208   6.859
  141    H    CYS  25           H        CYS  25  -4.289  -4.293   2.763
  142    HA   CYS  25           HA       CYS  25  -6.999  -3.265   2.292
  143   1HB   CYS  25          2HB       CYS  25  -5.887  -2.440   0.133
  144   2HB   CYS  25          1HB       CYS  25  -5.497  -1.581   1.599
  145    NH1  ARG  26           NH2      ARG  26 -10.726  -5.745  -5.069
  146    NH2  ARG  26           NH1      ARG  26  -9.151  -5.454  -6.667
  147    H    ARG  26           H        ARG  26  -6.715  -3.737  -0.394
  148    HA   ARG  26           HA       ARG  26  -6.695  -6.706  -0.646
  149   1HB   ARG  26          2HB       ARG  26  -9.004  -5.558  -0.868
  150   2HB   ARG  26          1HB       ARG  26  -8.370  -4.815  -2.338
  151   1HG   ARG  26          2HG       ARG  26  -8.133  -7.786  -1.967
  152   2HG   ARG  26          1HG       ARG  26  -9.668  -7.097  -2.496
  153   1HD   ARG  26          2HD       ARG  26  -6.974  -6.802  -3.851
  154   2HD   ARG  26          1HD       ARG  26  -8.388  -7.654  -4.472
  155    HE   ARG  26           HE       ARG  26  -8.178  -4.688  -4.200
  156   1HH1  ARG  26          1HH2      ARG  26 -10.973  -5.843  -4.105
  157   2HH1  ARG  26          2HH2      ARG  26 -11.436  -5.770  -5.772
  158   1HH2  ARG  26          1HH1      ARG  26  -9.860  -5.479  -7.372
  159   2HH2  ARG  26          2HH1      ARG  26  -8.193  -5.330  -6.926
  160    H    CYS  27           H        CYS  27  -4.785  -7.107  -1.802
  161    HA   CYS  27           HA       CYS  27  -4.228  -5.161  -4.010
  162   1HB   CYS  27          2HB       CYS  27  -3.029  -5.226  -1.490
  163   2HB   CYS  27          1HB       CYS  27  -1.884  -6.058  -2.524
  164    H    SER  28           HN       SER  28  -2.456  -7.800  -2.462
  165    HA   SER  28           HA       SER  28  -2.755  -9.472  -4.906
  166   1HB   SER  28          2HB       SER  28  -0.120  -9.891  -4.348
  167   2HB   SER  28          1HB       SER  28  -0.693  -8.757  -5.568
  168    HG   SER  28           HG       SER  28   0.054  -8.253  -2.882
   
  Start of MODEL          17
 Raw file had  168 H/Q atoms
  Start of MODEL   17
    1   1H    PRO   1          1H        PRO   1 -12.182  -0.787   1.743
    2   2H    PRO   1          2H        PRO   1 -13.801  -1.036   1.286
    3    HA   PRO   1           HA       PRO   1 -13.589   0.372  -0.404
    4   1HB   PRO   1          2HB       PRO   1 -12.370   2.678   0.789
    5   2HB   PRO   1          1HB       PRO   1 -14.068   2.449   0.346
    6   1HG   PRO   1          2HG       PRO   1 -12.916   2.489   2.974
    7   2HG   PRO   1          1HG       PRO   1 -14.615   2.286   2.526
    8   1HD   PRO   1          1HD       PRO   1 -12.835   0.303   3.548
    9   2HD   PRO   1          2HD       PRO   1 -14.515   0.095   3.046
   10    H    GLY   2           H        GLY   2 -11.607   2.398  -0.902
   11   1HA   GLY   2          2HA       GLY   2  -9.415   0.701  -1.764
   12   2HA   GLY   2          1HA       GLY   2  -9.515   2.444  -1.985
   13    HA   PRO   3           HA       PRO   3  -7.276   1.324   2.143
   14   1HB   PRO   3          2HB       PRO   3  -5.385  -0.611   1.660
   15   2HB   PRO   3          1HB       PRO   3  -7.012  -0.962   2.264
   16   1HG   PRO   3          2HG       PRO   3  -5.891  -1.370  -0.466
   17   2HG   PRO   3          1HG       PRO   3  -7.200  -2.242   0.349
   18   1HD   PRO   3          1HD       PRO   3  -7.518  -0.241  -1.622
   19   2HD   PRO   3          2HD       PRO   3  -8.796  -0.866  -0.558
   20    H    CYS   4           H        CYS   4  -4.439   0.892   2.159
   21    HA   CYS   4           HA       CYS   4  -3.483   3.402   1.273
   22   1HB   CYS   4          2HB       CYS   4  -1.180   2.203   1.354
   23   2HB   CYS   4          1HB       CYS   4  -2.059   2.387   2.865
   24    H    CYS   5           H        CYS   5  -2.584   0.244  -0.207
   25    HA   CYS   5           HA       CYS   5  -1.739   1.626  -2.625
   26   1HB   CYS   5          2HB       CYS   5  -1.813  -1.305  -1.909
   27   2HB   CYS   5          1HB       CYS   5  -1.132  -0.653  -3.401
   28    H    ASN   6           H        ASN   6  -4.365   2.183  -2.450
   29    HA   ASN   6           HA       ASN   6  -5.845   0.200  -4.083
   30   1HB   ASN   6          2HB       ASN   6  -7.047   1.440  -2.272
   31   2HB   ASN   6          1HB       ASN   6  -6.672   2.958  -3.090
   32   1HD2  ASN   6          2HD2      ASN   6  -9.053   2.430  -5.717
   33   2HD2  ASN   6          1HD2      ASN   6  -7.619   3.245  -5.317
   34    H    ASP   7           H        ASP   7  -4.019   3.103  -4.225
   35    HA   ASP   7           HA       ASP   7  -3.833   2.988  -7.119
   36   1HB   ASP   7          2HB       ASP   7  -5.863   4.616  -6.045
   37   2HB   ASP   7          1HB       ASP   7  -4.541   5.722  -6.423
   38    H    LYS   8           H        LYS   8  -2.215   2.932  -4.528
   39    HA   LYS   8           HA       LYS   8  -0.078   4.684  -5.493
   40   1HB   LYS   8          2HB       LYS   8   0.101   6.082  -3.553
   41   2HB   LYS   8          1HB       LYS   8  -1.565   6.181  -4.113
   42   1HG   LYS   8          2HG       LYS   8  -1.544   4.009  -2.315
   43   2HG   LYS   8          1HG       LYS   8  -0.546   5.239  -1.539
   44   1HD   LYS   8          2HD       LYS   8  -2.575   6.800  -2.411
   45   2HD   LYS   8          1HD       LYS   8  -3.450   5.284  -2.196
   46   1HE   LYS   8          2HE       LYS   8  -3.570   5.790  -0.003
   47   2HE   LYS   8          1HE       LYS   8  -1.838   5.470   0.077
   48   1HZ   LYS   8          2HZ       LYS   8  -2.252   8.035  -0.991
   49   2HZ   LYS   8          1HZ       LYS   8  -3.150   7.900   0.445
   50   3HZ   LYS   8          3HZ       LYS   8  -1.479   7.605   0.459
   51    H    CYS   9           H        CYS   9   1.340   2.846  -5.518
   52    HA   CYS   9           HA       CYS   9   1.571   1.136  -3.163
   53   1HB   CYS   9          2HB       CYS   9   2.429   0.588  -5.540
   54   2HB   CYS   9          1HB       CYS   9   3.796   1.637  -5.154
   55    H    VAL  10           H        VAL  10   1.901   2.355  -1.356
   56    HA   VAL  10           HA       VAL  10   3.913   4.557  -1.374
   57    HB   VAL  10           HB       VAL  10   2.756   4.825   0.974
   58   1HG1  VAL  10          3HG1      VAL  10   1.919   5.715  -1.757
   59   2HG1  VAL  10          2HG1      VAL  10   0.938   6.185  -0.369
   60   3HG1  VAL  10          1HG1      VAL  10   2.634   6.661  -0.450
   61   1HG2  VAL  10          3HG2      VAL  10   1.360   2.788   0.682
   62   2HG2  VAL  10          2HG2      VAL  10   0.376   4.237   0.881
   63   3HG2  VAL  10          1HG2      VAL  10   0.602   3.541  -0.713
   64    H    CYS  11           H        CYS  11   4.556   1.591  -1.080
   65    HA   CYS  11           HA       CYS  11   5.376   1.441   1.725
   66   1HB   CYS  11          2HB       CYS  11   4.773  -0.378  -0.165
   67   2HB   CYS  11          1HB       CYS  11   6.528  -0.365  -0.299
   68    H    GLN  12           H        GLN  12   6.768   2.173  -1.407
   69    HA   GLN  12           HA       GLN  12   9.490   2.057  -0.866
   70   1HB   GLN  12          2HB       GLN  12   7.943   3.114  -2.905
   71   2HB   GLN  12          1HB       GLN  12   8.778   4.526  -2.256
   72   1HG   GLN  12          2HG       GLN  12  10.644   3.902  -3.341
   73   2HG   GLN  12          1HG       GLN  12  10.679   2.414  -2.394
   74   1HE2  GLN  12          2HE2      GLN  12  10.152   0.589  -5.360
   75   2HE2  GLN  12          1HE2      GLN  12  11.084   0.810  -3.959
   76    H    GLU  13           H        GLU  13   7.130   4.161   0.388
   77    HA   GLU  13           HA       GLU  13   9.262   5.605   1.913
   78   1HB   GLU  13          2HB       GLU  13   6.700   6.581   0.675
   79   2HB   GLU  13          1HB       GLU  13   7.309   7.371   2.130
   80   1HG   GLU  13          2HG       GLU  13   9.167   8.207   1.068
   81   2HG   GLU  13          1HG       GLU  13   9.241   6.872  -0.081
   82    H    GLY  14           H        GLY  14   5.975   6.161   2.685
   83   1HA   GLY  14          2HA       GLY  14   5.674   3.981   4.596
   84   2HA   GLY  14          1HA       GLY  14   5.987   5.546   5.359
   85    H    GLY  15           H        GLY  15   4.378   5.447   2.306
   86   1HA   GLY  15          2HA       GLY  15   2.062   6.802   3.418
   87   2HA   GLY  15          1HA       GLY  15   2.326   6.414   1.724
   88    H    CYS  16           H        CYS  16   2.782   3.447   2.992
   89    HA   CYS  16           HA       CYS  16   0.320   2.445   2.121
   90   1HB   CYS  16          2HB       CYS  16   2.577   1.430   3.796
   91   2HB   CYS  16          1HB       CYS  16   1.054   0.585   3.883
   92    H    LYS  17           H        LYS  17  -0.765   0.882   4.098
   93    HA   LYS  17           HA       LYS  17  -1.396   2.588   6.423
   94   1HB   LYS  17          2HB       LYS  17  -3.342   1.928   4.225
   95   2HB   LYS  17          1HB       LYS  17  -3.919   2.132   5.880
   96   1HG   LYS  17          2HG       LYS  17  -2.842   4.358   5.974
   97   2HG   LYS  17          1HG       LYS  17  -2.301   4.158   4.307
   98   1HD   LYS  17          2HD       LYS  17  -4.611   4.036   3.530
   99   2HD   LYS  17          1HD       LYS  17  -5.201   4.113   5.190
  100   1HE   LYS  17          2HE       LYS  17  -3.550   6.315   5.055
  101   2HE   LYS  17          1HE       LYS  17  -4.256   6.277   3.440
  102   1HZ   LYS  17          1HZ       LYS  17  -6.443   5.892   4.730
  103   2HZ   LYS  17          3HZ       LYS  17  -5.597   6.551   6.045
  104   3HZ   LYS  17          2HZ       LYS  17  -5.806   7.464   4.627
  105    H    ALA  18           H        ALA  18  -3.541   1.177   7.449
  106    HA   ALA  18           HA       ALA  18  -2.244  -1.390   8.111
  107   1HB   ALA  18          2HB       ALA  18  -3.240   0.154   9.854
  108   2HB   ALA  18          1HB       ALA  18  -4.829  -0.264   9.215
  109   3HB   ALA  18          3HB       ALA  18  -3.811  -1.512   9.933
  110    H    GLY  19           H        GLY  19  -3.305  -1.184   5.451
  111   1HA   GLY  19          2HA       GLY  19  -4.999  -3.569   5.439
  112   2HA   GLY  19          1HA       GLY  19  -5.820  -2.117   4.852
  113    H    CYS  20           H        CYS  20  -2.590  -3.608   4.451
  114    HA   CYS  20           HA       CYS  20  -2.371  -2.552   1.754
  115   1HB   CYS  20          2HB       CYS  20  -0.495  -3.047   3.486
  116   2HB   CYS  20          1HB       CYS  20  -0.609  -4.701   2.889
  117    H    GLN  21           H        GLN  21  -3.696  -3.458   0.230
  118    HA   GLN  21           HA       GLN  21  -3.984  -6.423   0.177
  119   1HB   GLN  21          2HB       GLN  21  -5.745  -6.014  -1.513
  120   2HB   GLN  21          1HB       GLN  21  -6.072  -5.100  -0.040
  121   1HG   GLN  21          2HG       GLN  21  -5.571  -3.070  -1.025
  122   2HG   GLN  21          1HG       GLN  21  -4.465  -3.784  -2.194
  123   1HE2  GLN  21          2HE2      GLN  21  -7.743  -2.844  -3.857
  124   2HE2  GLN  21          1HE2      GLN  21  -6.677  -1.970  -2.866
  125    H    CYS  22           H        CYS  22  -2.618  -3.675  -1.478
  126    HA   CYS  22           HA       CYS  22  -1.993  -4.658  -4.005
  127   1HB   CYS  22          2HB       CYS  22  -1.364  -2.441  -3.661
  128   2HB   CYS  22          1HB       CYS  22  -0.747  -2.765  -2.057
  129    H    THR  23           H        THR  23   0.026  -5.625  -4.789
  130    HA   THR  23           HA       THR  23   1.514  -7.233  -2.767
  131    HB   THR  23           HB       THR  23  -0.234  -8.660  -3.870
  132    HG1  THR  23           HG1      THR  23   2.497  -9.129  -4.437
  133   1HG2  THR  23          2HG2      THR  23   0.937  -7.378  -6.234
  134   2HG2  THR  23          1HG2      THR  23   0.795  -9.129  -6.390
  135   3HG2  THR  23          3HG2      THR  23  -0.633  -8.155  -6.039
  136    H    SER  24           H        SER  24   2.604  -4.974  -3.578
  137    HA   SER  24           HA       SER  24   4.614  -5.814  -5.607
  138   1HB   SER  24          2HB       SER  24   2.660  -3.772  -5.941
  139   2HB   SER  24          1HB       SER  24   4.223  -2.980  -5.762
  140    HG   SER  24           HG       SER  24   4.824  -4.869  -7.303
  141    H    CYS  25           H        CYS  25   4.000  -4.485  -2.495
  142    HA   CYS  25           HA       CYS  25   6.736  -3.430  -2.388
  143   1HB   CYS  25          2HB       CYS  25   5.847  -2.354  -0.244
  144   2HB   CYS  25          1HB       CYS  25   5.277  -1.680  -1.747
  145    NH1  ARG  26           NH1      ARG  26  10.626  -3.221   5.691
  146    NH2  ARG  26           NH2      ARG  26  12.529  -3.831   4.634
  147    H    ARG  26           H        ARG  26   6.713  -3.617   0.344
  148    HA   ARG  26           HA       ARG  26   6.703  -6.538   0.917
  149   1HB   ARG  26          2HB       ARG  26   8.631  -6.118   2.448
  150   2HB   ARG  26          1HB       ARG  26   9.043  -5.704   0.783
  151   1HG   ARG  26          2HG       ARG  26   9.600  -3.644   1.500
  152   2HG   ARG  26          1HG       ARG  26   7.900  -3.373   1.885
  153   1HD   ARG  26          2HD       ARG  26   8.925  -3.002   3.955
  154   2HD   ARG  26          1HD       ARG  26   8.463  -4.700   4.077
  155    HE   ARG  26           HE       ARG  26  10.935  -5.036   3.160
  156   1HH1  ARG  26          2HH1      ARG  26   9.627  -3.204   5.735
  157   2HH1  ARG  26          1HH1      ARG  26  11.165  -2.791   6.416
  158   1HH2  ARG  26          1HH2      ARG  26  12.988  -4.280   3.867
  159   2HH2  ARG  26          2HH2      ARG  26  13.069  -3.401   5.358
  160    H    CYS  27           H        CYS  27   4.969  -6.784   2.353
  161    HA   CYS  27           HA       CYS  27   4.680  -4.587   4.367
  162   1HB   CYS  27          2HB       CYS  27   3.216  -4.881   2.010
  163   2HB   CYS  27          1HB       CYS  27   2.174  -5.566   3.240
  164    H    SER  28           HN       SER  28   2.671  -7.304   3.328
  165    HA   SER  28           HA       SER  28   2.370  -8.211   6.111
  166   1HB   SER  28          2HB       SER  28   0.987  -8.614   3.579
  167   2HB   SER  28          1HB       SER  28   1.224 -10.133   4.436
  168    HG   SER  28           HG       SER  28  -0.687  -8.652   4.931
   
  Start of MODEL          18
 Raw file had  168 H/Q atoms
  Start of MODEL   18
    1   1H    PRO   1          1H        PRO   1  -9.226  -0.866   6.128
    2   2H    PRO   1          2H        PRO   1 -10.493  -1.859   5.581
    3    HA   PRO   1           HA       PRO   1 -10.399  -0.949   3.572
    4   1HB   PRO   1          2HB       PRO   1 -10.418   1.868   4.109
    5   2HB   PRO   1          1HB       PRO   1 -11.758   0.853   3.554
    6   1HG   PRO   1          2HG       PRO   1 -11.377   2.007   6.152
    7   2HG   PRO   1          1HG       PRO   1 -12.718   1.000   5.588
    8   1HD   PRO   1          1HD       PRO   1 -10.627   0.272   7.397
    9   2HD   PRO   1          2HD       PRO   1 -11.950  -0.736   6.802
   10    H    GLY   2           H        GLY   2  -8.489  -1.055   2.497
   11   1HA   GLY   2          2HA       GLY   2  -6.458   1.035   2.934
   12   2HA   GLY   2          1HA       GLY   2  -5.939  -0.612   3.290
   13    HA   PRO   3           HA       PRO   3  -6.882  -0.557  -1.407
   14   1HB   PRO   3          2HB       PRO   3  -7.794   1.796  -2.469
   15   2HB   PRO   3          1HB       PRO   3  -8.874   0.566  -1.786
   16   1HG   PRO   3          2HG       PRO   3  -8.031   3.184  -0.626
   17   2HG   PRO   3          1HG       PRO   3  -9.525   2.271  -0.361
   18   1HD   PRO   3          1HD       PRO   3  -7.318   2.385   1.395
   19   2HD   PRO   3          2HD       PRO   3  -8.657   1.219   1.478
   20    H    CYS   4           H        CYS   4  -4.837   1.230   0.305
   21    HA   CYS   4           HA       CYS   4  -3.689   3.186  -1.294
   22   1HB   CYS   4          2HB       CYS   4  -1.434   2.382  -0.328
   23   2HB   CYS   4          1HB       CYS   4  -2.629   2.966   0.819
   24    H    CYS   5           H        CYS   5  -2.205  -0.099  -1.255
   25    HA   CYS   5           HA       CYS   5  -1.065   0.421  -3.871
   26   1HB   CYS   5          2HB       CYS   5  -0.989  -2.042  -2.124
   27   2HB   CYS   5          1HB       CYS   5  -0.035  -1.803  -3.590
   28    H    ASN   6           H        ASN   6  -3.877   0.410  -4.049
   29    HA   ASN   6           HA       ASN   6  -4.570  -2.216  -5.237
   30   1HB   ASN   6          2HB       ASN   6  -6.170  -0.513  -3.921
   31   2HB   ASN   6          1HB       ASN   6  -6.314   0.211  -5.524
   32   1HD2  ASN   6          2HD2      ASN   6  -8.162  -3.318  -4.740
   33   2HD2  ASN   6          1HD2      ASN   6  -7.242  -2.524  -3.555
   34    H    ASP   7           H        ASP   7  -3.416   0.929  -5.941
   35    HA   ASP   7           HA       ASP   7  -2.908   0.200  -8.738
   36   1HB   ASP   7          2HB       ASP   7  -3.737   2.784  -9.080
   37   2HB   ASP   7          1HB       ASP   7  -4.719   1.369  -9.447
   38    H    LYS   8           H        LYS   8  -1.652   1.141  -5.954
   39    HA   LYS   8           HA       LYS   8   0.557   2.560  -7.231
   40   1HB   LYS   8          2HB       LYS   8   0.386   4.636  -6.125
   41   2HB   LYS   8          1HB       LYS   8  -1.253   4.306  -6.673
   42   1HG   LYS   8          2HG       LYS   8  -1.340   3.135  -4.212
   43   2HG   LYS   8          1HG       LYS   8  -0.169   4.412  -3.892
   44   1HD   LYS   8          2HD       LYS   8  -1.780   6.047  -4.927
   45   2HD   LYS   8          1HD       LYS   8  -2.965   4.743  -5.023
   46   1HE   LYS   8          2HE       LYS   8  -2.439   4.435  -2.474
   47   2HE   LYS   8          1HE       LYS   8  -1.828   6.087  -2.587
   48   1HZ   LYS   8          1HZ       LYS   8  -4.361   5.731  -3.884
   49   2HZ   LYS   8          3HZ       LYS   8  -4.424   5.382  -2.225
   50   3HZ   LYS   8          2HZ       LYS   8  -3.877   6.901  -2.752
   51    H    CYS   9           H        CYS   9   2.288   1.451  -6.349
   52    HA   CYS   9           HA       CYS   9   2.159   0.476  -3.567
   53   1HB   CYS   9          2HB       CYS   9   3.550  -0.641  -5.411
   54   2HB   CYS   9          1HB       CYS   9   4.650   0.735  -5.280
   55    H    VAL  10           H        VAL  10   1.989   2.237  -2.227
   56    HA   VAL  10           HA       VAL  10   3.728   4.615  -2.699
   57    HB   VAL  10           HB       VAL  10   2.057   5.373  -0.761
   58   1HG1  VAL  10          3HG1      VAL  10   1.933   5.452  -3.744
   59   2HG1  VAL  10          2HG1      VAL  10   0.572   6.109  -2.835
   60   3HG1  VAL  10          1HG1      VAL  10   2.190   6.773  -2.605
   61   1HG2  VAL  10          2HG2      VAL  10   0.506   3.408  -2.463
   62   2HG2  VAL  10          1HG2      VAL  10   0.838   3.236  -0.744
   63   3HG2  VAL  10          3HG2      VAL  10  -0.211   4.532  -1.314
   64    H    CYS  11           H        CYS  11   4.612   2.071  -1.326
   65    HA   CYS  11           HA       CYS  11   4.813   2.934   1.464
   66   1HB   CYS  11          2HB       CYS  11   4.860   0.539   0.237
   67   2HB   CYS  11          1HB       CYS  11   6.587   0.840   0.388
   68    H    GLN  12           H        GLN  12   6.756   2.909  -1.447
   69    HA   GLN  12           HA       GLN  12   9.284   3.468  -0.441
   70   1HB   GLN  12          2HB       GLN  12   8.281   5.032  -2.794
   71   2HB   GLN  12          1HB       GLN  12   9.867   4.303  -2.553
   72   1HG   GLN  12          2HG       GLN  12   7.267   2.919  -3.231
   73   2HG   GLN  12          1HG       GLN  12   8.776   2.907  -4.142
   74   1HE2  GLN  12          2HE2      GLN  12   8.446  -0.262  -2.090
   75   2HE2  GLN  12          1HE2      GLN  12   7.404   0.502  -3.190
   76    H    GLU  13           H        GLU  13   6.489   5.409  -0.391
   77    HA   GLU  13           HA       GLU  13   8.099   7.584   0.885
   78   1HB   GLU  13          2HB       GLU  13   6.079   9.055   0.060
   79   2HB   GLU  13          1HB       GLU  13   7.378   8.653  -1.062
   80   1HG   GLU  13          2HG       GLU  13   6.038   7.311  -2.325
   81   2HG   GLU  13          1HG       GLU  13   5.207   6.653  -0.916
   82    H    GLY  14           H        GLY  14   4.651   7.837   0.724
   83   1HA   GLY  14          2HA       GLY  14   4.134   6.453   3.239
   84   2HA   GLY  14          1HA       GLY  14   4.113   8.213   3.394
   85    H    GLY  15           H        GLY  15   3.178   6.587   0.452
   86   1HA   GLY  15          2HA       GLY  15   0.544   7.860   0.585
   87   2HA   GLY  15          1HA       GLY  15   1.217   7.007  -0.796
   88    H    CYS  16           H        CYS  16   1.737   4.786   1.554
   89    HA   CYS  16           HA       CYS  16  -0.295   3.078   0.671
   90   1HB   CYS  16          2HB       CYS  16   1.636   3.119   2.940
   91   2HB   CYS  16          1HB       CYS  16   0.250   2.068   3.075
   92    H    LYS  17           H        LYS  17  -1.567   2.009   2.851
   93    HA   LYS  17           HA       LYS  17  -3.115   4.229   4.102
   94   1HB   LYS  17          2HB       LYS  17  -4.130   2.031   2.335
   95   2HB   LYS  17          1HB       LYS  17  -5.141   2.570   3.676
   96   1HG   LYS  17          2HG       LYS  17  -3.902   4.554   1.774
   97   2HG   LYS  17          1HG       LYS  17  -5.431   3.761   1.393
   98   1HD   LYS  17          2HD       LYS  17  -6.351   4.555   3.567
   99   2HD   LYS  17          1HD       LYS  17  -4.843   5.421   3.861
  100   1HE   LYS  17          2HE       LYS  17  -5.676   6.134   1.249
  101   2HE   LYS  17          1HE       LYS  17  -7.106   6.240   2.276
  102   1HZ   LYS  17          1HZ       LYS  17  -5.774   7.562   3.849
  103   2HZ   LYS  17          3HZ       LYS  17  -4.481   7.542   2.753
  104   3HZ   LYS  17          2HZ       LYS  17  -5.936   8.313   2.333
  105    H    ALA  18           H        ALA  18  -4.908   2.804   5.578
  106    HA   ALA  18           HA       ALA  18  -3.140   1.367   7.462
  107   1HB   ALA  18          2HB       ALA  18  -4.758   3.124   8.245
  108   2HB   ALA  18          1HB       ALA  18  -6.076   2.056   7.765
  109   3HB   ALA  18          3HB       ALA  18  -4.965   1.565   9.043
  110    H    GLY  19           H        GLY  19  -4.198   0.223   4.823
  111   1HA   GLY  19          2HA       GLY  19  -4.894  -2.420   5.933
  112   2HA   GLY  19          1HA       GLY  19  -6.106  -1.693   4.872
  113    H    CYS  20           H        CYS  20  -2.555  -1.932   4.846
  114    HA   CYS  20           HA       CYS  20  -2.329  -1.959   2.013
  115   1HB   CYS  20          2HB       CYS  20  -0.528  -1.465   3.759
  116   2HB   CYS  20          1HB       CYS  20  -0.350  -3.214   3.910
  117    H    GLN  21           H        GLN  21  -2.736  -3.511   0.602
  118    HA   GLN  21           HA       GLN  21  -2.931  -6.338   1.549
  119   1HB   GLN  21          2HB       GLN  21  -4.246  -4.774  -0.652
  120   2HB   GLN  21          1HB       GLN  21  -3.985  -6.502  -0.893
  121   1HG   GLN  21          2HG       GLN  21  -4.984  -6.468   1.654
  122   2HG   GLN  21          1HG       GLN  21  -5.856  -5.119   0.923
  123   1HE2  GLN  21          2HE2      GLN  21  -7.341  -7.296  -1.630
  124   2HE2  GLN  21          1HE2      GLN  21  -6.551  -5.797  -1.543
  125    H    CYS  22           H        CYS  22  -1.490  -4.130  -0.759
  126    HA   CYS  22           HA       CYS  22  -0.066  -5.926  -2.426
  127   1HB   CYS  22          2HB       CYS  22  -0.087  -3.625  -3.071
  128   2HB   CYS  22          1HB       CYS  22   0.343  -3.104  -1.454
  129    H    THR  23           H        THR  23   2.084  -6.803  -2.192
  130    HA   THR  23           HA       THR  23   3.191  -6.658   0.585
  131    HB   THR  23           HB       THR  23   2.667  -8.892   0.568
  132    HG1  THR  23           HG1      THR  23   4.484 -10.027  -0.641
  133   1HG2  THR  23          1HG2      THR  23   2.775  -8.625  -2.432
  134   2HG2  THR  23          3HG2      THR  23   2.692 -10.208  -1.660
  135   3HG2  THR  23          2HG2      THR  23   1.396  -9.038  -1.413
  136    H    SER  24           H        SER  24   3.692  -5.671  -2.454
  137    HA   SER  24           HA       SER  24   6.426  -6.312  -2.967
  138   1HB   SER  24          2HB       SER  24   4.440  -5.139  -4.417
  139   2HB   SER  24          1HB       SER  24   5.417  -3.734  -4.000
  140    HG   SER  24           HG       SER  24   7.116  -4.592  -5.045
  141    H    CYS  25           H        CYS  25   5.022  -4.058  -0.685
  142    HA   CYS  25           HA       CYS  25   7.552  -2.595  -0.607
  143   1HB   CYS  25          2HB       CYS  25   6.180  -1.233   1.161
  144   2HB   CYS  25          1HB       CYS  25   5.888  -0.973  -0.536
  145    NH1  ARG  26           NH2      ARG  26  11.290  -3.392   6.396
  146    NH2  ARG  26           NH1      ARG  26  10.887  -5.592   6.727
  147    H    ARG  26           H        ARG  26   7.235  -2.042   2.059
  148    HA   ARG  26           HA       ARG  26   7.618  -4.633   3.474
  149   1HB   ARG  26          2HB       ARG  26   9.408  -2.198   3.421
  150   2HB   ARG  26          1HB       ARG  26   9.345  -3.205   4.869
  151   1HG   ARG  26          2HG       ARG  26   9.821  -5.201   3.387
  152   2HG   ARG  26          1HG       ARG  26  10.119  -4.067   2.069
  153   1HD   ARG  26          2HD       ARG  26  12.267  -4.182   2.855
  154   2HD   ARG  26          1HD       ARG  26  11.677  -2.953   3.974
  155    HE   ARG  26           HE       ARG  26  12.376  -5.697   4.663
  156   1HH1  ARG  26          1HH2      ARG  26  11.634  -2.652   5.819
  157   2HH1  ARG  26          2HH2      ARG  26  10.911  -3.187   7.299
  158   1HH2  ARG  26          2HH1      ARG  26  10.922  -6.537   6.402
  159   2HH2  ARG  26          1HH1      ARG  26  10.509  -5.388   7.630
  160    H    CYS  27           H        CYS  27   5.313  -3.954   3.707
  161    HA   CYS  27           HA       CYS  27   4.722  -1.587   5.290
  162   1HB   CYS  27          2HB       CYS  27   3.391  -3.304   3.533
  163   2HB   CYS  27          1HB       CYS  27   2.639  -3.610   5.090
  164    H    SER  28           HN       SER  28   3.677  -4.921   5.816
  165    HA   SER  28           HA       SER  28   4.765  -4.916   8.567
  166   1HB   SER  28          2HB       SER  28   1.863  -5.590   8.319
  167   2HB   SER  28          1HB       SER  28   2.753  -4.969   9.707
  168    HG   SER  28           HG       SER  28   1.262  -3.557   8.244
   
   
  No H/Q in entry =         168