*HEADER    HYDROLASE INHIBITOR                     06-SEP-01   1JXC              
*TITLE     MINIMIZED NMR STRUCTURE OF ATT, AN ARABIDOPSIS                        
*TITLE    2 TRYPSIN/CHYMOTRYPSIN INHIBITOR                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PUTATIVE TRYPSIN INHIBITOR ATTI-2;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   3 ORGANISM_COMMON: MOUSE-EAR CRESS;                                    
*SOURCE   4 GENE: ATTP;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)/PLYSS;                           
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PSNHISATT                                 
*KEYWDS    ATT, TRYPSIN INHIBITOR, CHYMOTRYPSIN INHIBITOR                        
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    Q.ZHAO, Y.K.CHAE, J.L.MARKLEY                                         
*REVDAT   1   14-JAN-03 1JXC    0                                                
  12 LEU   PSI     105.0   165.0
  13 LYS   PHI    -169.0  -109.0
  13 LYS   PSI     105.0   165.0
  14 GLU   PHI    -169.0  -109.0
  14 GLU   PSI     105.0   165.0
  15 TYR   PHI    -169.0  -109.0
  21 PHE   PSI     -67.0   -27.0
  22 GLY   PHI     -77.0   -37.0
  22 GLY   PSI     -67.0   -27.0
  23 PHE   PHI     -77.0   -37.0
  32 ILE   PSI     -67.0   -27.0
  33 CYSS  PHI     -77.0   -37.0
  33 CYSS  PSI     -67.0   -27.0
  34 TYR   PHI     -77.0   -37.0
  34 TYR   PSI     -67.0   -27.0
  35 THR   PHI     -77.0   -37.0
  35 THR   PSI     -67.0   -27.0
  36 ARG   PHI     -77.0   -37.0
  36 ARG   PSI     -67.0   -27.0
  37 CYSS  PHI     -77.0   -37.0
  37 CYSS  PSI     -67.0   -27.0
  38 ARG   PHI     -77.0   -37.0
  46 GLY   PSI     105.0   165.0
  47 ARG   PHI    -169.0  -109.0
  47 ARG   PSI     105.0   165.0
  48 CYSS  PHI    -169.0  -109.0
  48 CYSS  PSI     105.0   165.0
  49 ARG   PHI    -169.0  -109.0
  57 LYS   PSI     105.0   165.0
  58 CYSS  PHI    -169.0  -109.0
  58 CYSS  PSI     105.0   165.0
  59 LEU   PHI    -169.0  -109.0
  59 LEU   PSI     105.0   165.0
  60 CYSS  PHI    -169.0  -109.0
  60 CYSS  PSI     105.0   165.0
  61 ASP   PHI    -169.0  -109.0
 31 THR  O      35 THR  HN      1.80                
 32 ILE  O      36 ARG  HN      1.80                
 33 CYSS O      37 CYSS HN      1.80                
 34 TYR  O      38 ARG  HN      1.80                
 36 ARG  O      39 GLU  HN      1.80                
 38 ARG  O      41 LYS  HN      1.80                
 46 GLY  HN     60 CYSS O       1.80                
 46 GLY  O      60 CYSS HN      1.80                
 47 ARG  HN     59 LEU  O       1.80                
 47 ARG  O      59 LEU  HN      1.80                
 48 CYSS HN     58 CYSS O       1.80                
 48 CYSS O      58 CYSS HN      1.80                
 49 ARG  HN     57 LYS  O       1.80                
 49 ARG  O      57 LYS  HN      1.80                  2 PRO  HA      2 PRO  HD3     5.30                
  2 PRO  HB2     3 GLU  QG      6.38                
  2 PRO  HB2     4 ILE  HA      4.70                
  2 PRO  HB3     2 PRO  HD3     3.40                
  2 PRO  QG      2 PRO  HD2     6.18                
  2 PRO  HD2     2 PRO  HD3     5.30                
  3 GLU  HN      3 GLU  HA      4.25                
  3 GLU  HN      5 GLU  HN      5.10                
  3 GLU  HA      4 ILE  HN      4.09                
  3 GLU  HA      4 ILE  HB      6.00                
  4 ILE  HN      4 ILE  HB      4.62                
  4 ILE  HN      4 ILE  HG12    5.30                
  4 ILE  HN      5 GLU  HN      5.30                
  4 ILE  HA      4 ILE  HB      3.20                
  4 ILE  HA      4 ILE  HG13    3.60                
  4 ILE  HA      5 GLU  HN      3.84                
  4 ILE  HA      6 ALA  QB      6.33                
  4 ILE  HB      4 ILE  HG12    5.30                
  4 ILE  HB      4 ILE  HG13    5.30                
  4 ILE  QG2     4 ILE  HG12    3.83                
  4 ILE  QG2     4 ILE  HG13    3.63                
  4 ILE  QG2     5 GLU  HN      6.33                
  4 ILE  QG2    15 TYR  HN      6.33                
  4 ILE  QG2    15 TYR  HB3     6.33                
  4 ILE  HG12    4 ILE  HG13    3.20                
  4 ILE  HG12    4 ILE  QD1     3.23                
  4 ILE  HG12   12 LEU  HG      5.30                
  4 ILE  HG12   13 LYS  HB2     5.30                
  4 ILE  HG12   13 LYS  HB2     5.30                
  4 ILE  HG12   63 CYSS HB3     7.10                
  4 ILE  HG13    4 ILE  QD1     3.23                
  4 ILE  HG13    6 ALA  QB      3.23                
  4 ILE  HG13   12 LEU  HA      5.30                
  4 ILE  HG13   12 LEU  HB2     5.30                
  4 ILE  HG13   12 LEU  QD2     6.33                
  4 ILE  HG13   13 LYS  HB3     5.30                
  4 ILE  HG13   63 CYSS HB2     6.70                
  4 ILE  QD1    12 LEU  QD1     7.36                
  5 GLU  HN      5 GLU  HA      4.80                
  5 GLU  HN      5 GLU  HB2     5.02                
  5 GLU  HN      5 GLU  HB3     4.77                
  5 GLU  HN     12 LEU  HB2     6.30                
  5 GLU  HA     12 LEU  HB2     5.80                
  5 GLU  HB2     6 ALA  HN      5.30                
  6 ALA  HN      6 ALA  HA      2.80                
  6 ALA  HN      6 ALA  QB      3.81                
  6 ALA  HN      7 GLN  HB3     5.55                
  6 ALA  HN     12 LEU  HB3     5.30                
  6 ALA  HA      7 GLN  HN      3.70                
  6 ALA  QB      7 GLN  HN      4.35                
  6 ALA  QB      7 GLN  HB2     6.33                
  6 ALA  QB     12 LEU  HB2     6.33                
  6 ALA  QB     12 LEU  QD2     7.36                
  6 ALA  QB     13 LYS  HB2     6.63                
#  6 ALA  QB     47 ARG  HB3     6.53                
  6 ALA  QB     59 LEU  QD1     7.66                
  7 GLN  HN      7 GLN  HB2     4.77                
  7 GLN  HN      7 GLN  HB3     3.63                
  7 GLN  HN      7 GLN  QG      4.80                
  7 GLN  HA      8 GLY  HN      3.70                
  7 GLN  HA      9 ASN  HN      3.89                
  7 GLN  HA     11 CYSS HN      5.60   #r             
  7 GLN  HB2     7 GLN  QG      6.18                
  7 GLN  HB3     7 GLN  QG      6.18                
  7 GLN  HB3    12 LEU  HB2     5.50                
  7 GLN  QG     10 GLU  HB2     6.38                
  7 GLN  QG     10 GLU  QG      7.05                
  7 GLN  HE22    8 GLY  HA1     5.30                
  8 GLY  HN      8 GLY  HA1     2.80                
  8 GLY  HN      8 GLY  HA2     3.84                
#  8 GLY  HN     12 LEU  HB2     4.22                
  8 GLY  HA1     8 GLY  HA2     5.30                
  8 GLY  HA1     9 ASN  HN      3.50                
  8 GLY  HA1     9 ASN  QB      6.02                
  8 GLY  HA1    12 LEU  HB3     4.30                
  8 GLY  HA2     9 ASN  HN      3.78                
  9 ASN  HN      9 ASN  HA      2.95                
  9 ASN  HN      9 ASN  QB      3.71                
  9 ASN  HN     10 GLU  HN      2.87                
  9 ASN  HN     12 LEU  HN      4.77                
  9 ASN  HA     10 GLU  HN      3.81                
  9 ASN  QB     10 GLU  HN      4.34                
  9 ASN  HD21    9 ASN  HD22    3.59                
 10 GLU  HN     10 GLU  HA      3.60                
 10 GLU  HN     10 GLU  HB2     2.98                
 10 GLU  HN     10 GLU  HB3     3.80                
 10 GLU  HN     10 GLU  QG      4.21                
 10 GLU  HN     11 CYSS HN      2.80                
 10 GLU  HA     10 GLU  HB2     5.30                
 10 GLU  HA     11 CYSS HN      3.70                
 10 GLU  HB2    10 GLU  QG      6.18                
 10 GLU  HB2    11 CYSS HN      4.60                
 10 GLU  HB2    47 ARG  HB3     5.30                
 10 GLU  HB2    47 ARG  HD3     5.30                
 10 GLU  HB3    47 ARG  HG2     5.30                
 10 GLU  QG     11 CYSS HA      6.48                
 11 CYSS HN     11 CYSS HA      2.80                
 11 CYSS HN     11 CYSS HB2     3.80                
 11 CYSS HN     11 CYSS HB3     4.00                
 11 CYSS HN     12 LEU  HN      3.70                
 11 CYSS HB2    63 CYSS HB2     5.00                
 11 CYSS HB3    12 LEU  HN      4.50                
 11 CYSS HB3    12 LEU  HB2     5.99                
 11 CYSS HB3    63 CYSS HB2     5.50                
 11 CYSS HB3    63 CYSS HB3     5.60                
 12 LEU  HN     12 LEU  HA      2.94                
 12 LEU  HN     12 LEU  HB2     3.30                
 12 LEU  HN     12 LEU  HB3     3.99                
 12 LEU  HN     12 LEU  QD1     5.11                
 12 LEU  HN     12 LEU  QD2     5.00                
 12 LEU  HA     12 LEU  HB2     5.30                
 12 LEU  HA     12 LEU  HB3     3.20                
 12 LEU  HA     13 LYS  HN      3.20                
 12 LEU  HA     59 LEU  QD2     4.85                
 12 LEU  HB2    12 LEU  HB3     3.20                
 12 LEU  HB2    13 LYS  HN      4.70                
 12 LEU  HB2    57 LYS  HE2     5.30                
 12 LEU  HB2    59 LEU  QD1     6.33                
 12 LEU  HB3    13 LYS  HN      4.46                
 12 LEU  HB3    59 LEU  HB3     4.60                
 12 LEU  HB3    59 LEU  QD2     3.23                
 12 LEU  HB3    63 CYSS HB2     6.74                
 12 LEU  HB3    63 CYSS HB3     6.70                
 12 LEU  HG     59 LEU  HN      5.60                
 12 LEU  HG     59 LEU  QD1     6.63                
 12 LEU  HG     59 LEU  QD2     6.63                
 12 LEU  QD1    59 LEU  HB2     4.73                
 12 LEU  QD2    13 LYS  HN      4.81                
 12 LEU  QD2    59 LEU  HB3     6.63                
 13 LYS  HN     13 LYS  HA      3.00                
 13 LYS  HN     13 LYS  HB2     3.40                
 13 LYS  HN     13 LYS  HB3     4.46                
 13 LYS  HN     59 LEU  QD2     6.63                
 13 LYS  HA     13 LYS  HB3     5.30                
 13 LYS  HA     14 GLU  HN      3.10                
 13 LYS  HB2    13 LYS  HB3     5.30                
 13 LYS  HB2    14 GLU  HN      4.10                
 13 LYS  HB2    61 ASP  HB3     5.50                
 13 LYS  HB3    13 LYS  QE      6.18                
 13 LYS  HB3    14 GLU  HN      4.77                
 13 LYS  QE     61 ASP  HB2     6.38                
 14 GLU  HN     14 GLU  HA      3.30                
 14 GLU  HN     14 GLU  QB      3.74                
 14 GLU  HN     14 GLU  QG      4.24                
 14 GLU  HN     59 LEU  QD2     6.63                
 14 GLU  HA     14 GLU  QG      6.18                
 14 GLU  HA     15 TYR  HN      3.70                
 14 GLU  HA     63 CYSS HB3     6.70                
 14 GLU  QB     14 GLU  QG      3.95                
 14 GLU  QB     15 TYR  HN      3.74                
 14 GLU  QB     16 GLY  HN      5.56                
 14 GLU  QB     18 ASP  HN      6.68                
 14 GLU  QB     58 CYSS HB3     6.38                
 14 GLU  QB     59 LEU  QD2     4.70                
 14 GLU  QB     60 CYSS HB3     6.18                
 14 GLU  QB     60 CYSS HB3     6.38                
 14 GLU  QB     61 ASP  HB2     6.38                
 14 GLU  QG     15 TYR  HN      4.47                
 14 GLU  QG     16 GLY  HN      5.44                
 14 GLU  QG     16 GLY  HA1     6.18                
 14 GLU  QG     59 LEU  HB2     6.18                
 14 GLU  QG     59 LEU  HG      6.18                
 14 GLU  QG     59 LEU  QD2     6.80                
 15 TYR  HN     15 TYR  HA      3.00                
 15 TYR  HN     15 TYR  HB2     3.10                
 15 TYR  HN     15 TYR  HB3     3.90                
 15 TYR  HN     16 GLY  HN      3.80                
 15 TYR  HN     19 VAL  QG2     6.30                
 15 TYR  HA     15 TYR  HB2     5.30                
 15 TYR  HA     15 TYR  HB3     5.30                
 15 TYR  HA     16 GLY  HN      3.70                
 15 TYR  HA     16 GLY  HA1     5.30                
 15 TYR  HA     16 GLY  HA2     5.30                
 15 TYR  HA     17 GLY  HA2     5.60                
 15 TYR  HB2    15 TYR  HB3     5.30                
 15 TYR  HB2    15 TYR  QD      7.44                
 15 TYR  HB2    16 GLY  HN      4.00                
 15 TYR  HB2    40 ASN  HD22    5.50                
 15 TYR  HB3    15 TYR  QD      7.44                
 15 TYR  HB3    16 GLY  HN      3.30                
 15 TYR  HB3    40 ASN  HB3     5.50                
 15 TYR  QD     15 TYR  QE      9.57                
 15 TYR  QD     16 GLY  HN      6.63                
 15 TYR  QD     16 GLY  HA2     7.44                
 15 TYR  QE     36 ARG  HE      7.43                
 15 TYR  QE     37 CYSS HA      7.63                
 16 GLY  HN     16 GLY  HA1     2.95 #r                
 16 GLY  HN     16 GLY  HA2     2.80                
 16 GLY  HN     17 GLY  HN      4.15                
 16 GLY  HN     19 VAL  QG2     4.90                
 16 GLY  HA1    16 GLY  HA2     3.20                
 16 GLY  HA1    17 GLY  HN      3.70                
 16 GLY  HA2    17 GLY  HN      3.49                
 16 GLY  HA2    19 VAL  HN      5.30                
 16 GLY  HA2    19 VAL  HB      5.30                
 16 GLY  HA2    36 ARG  HD2     5.50                
 17 GLY  HN     17 GLY  HA1     3.30                
 17 GLY  HN     17 GLY  HA2     3.30                
 17 GLY  HN     18 ASP  HN      4.99                
 17 GLY  HA1    17 GLY  HA2     3.20                
 17 GLY  HA1    18 ASP  HN      3.70                
 17 GLY  HA1    18 ASP  HA      4.90                
 17 GLY  HA1    18 ASP  HB2     4.30                
 17 GLY  HA2    18 ASP  HN      3.40                
 17 GLY  HA2    19 VAL  HN      5.10                
 17 GLY  HA2    19 VAL  QG1     6.33                
 18 ASP  HN     18 ASP  HA      2.95                
 18 ASP  HN     18 ASP  HB2     3.75                
 18 ASP  HN     18 ASP  HB3     3.60                
 18 ASP  HN     19 VAL  HN      3.50                
 18 ASP  HN     19 VAL  QG1     4.87                
 18 ASP  HA     18 ASP  HB2     3.32                
 18 ASP  HA     18 ASP  HB3     5.30                
 18 ASP  HA     19 VAL  HN      3.60                
 18 ASP  HA     20 GLY  HN      4.10                
 18 ASP  HA     20 GLY  HA1     6.30                
 18 ASP  HA     52 GLN  HA      5.15                
 18 ASP  HA     53 GLY  HA1     4.49                
 18 ASP  HA     58 CYSS HB2     4.79                
 18 ASP  HA     58 CYSS HB3     5.30                
 18 ASP  HB2    18 ASP  HB3     5.60                
 18 ASP  HB2    19 VAL  HN      5.60                
 18 ASP  HB2    20 GLY  HA2     5.90                
 18 ASP  HB3    54 SER  HA      6.60                
 18 ASP  HB3    58 CYSS HB2     5.90                
 19 VAL  HN     19 VAL  HA      2.95                
 19 VAL  HN     19 VAL  HB      3.75                
 19 VAL  HN     19 VAL  QG1     4.41                
 19 VAL  HN     19 VAL  QG2     4.41                
 19 VAL  HN     20 GLY  HN      2.90                
 19 VAL  HN     20 GLY  HA1     5.30                
 19 VAL  HN     58 CYSS HB2     3.80                
 19 VAL  HA     19 VAL  HB      3.61                
 19 VAL  HA     19 VAL  QG1     5.29                
 19 VAL  HA     19 VAL  QG2     6.33                
 19 VAL  HA     20 GLY  HN      3.50                
 19 VAL  HA     24 CYSS HN      5.60                
 19 VAL  HB     19 VAL  QG1     3.23                
 19 VAL  HB     19 VAL  QG2     3.23                
 19 VAL  HB     20 GLY  HN      4.67                
 19 VAL  HB     23 PHE  HA      7.30                
 19 VAL  HB     36 ARG  HB3     5.05                
 19 VAL  QG1    19 VAL  QG2     4.63                
 19 VAL  QG1    20 GLY  HN      5.28                
# 19 VAL  QG1    23 PHE  HZ      6.63                
 19 VAL  QG1    37 CYSS HN      4.69                
 19 VAL  QG1    37 CYSS HB3     4.93                
 19 VAL  QG2    20 GLY  HN      4.81                
 19 VAL  QG2    23 PHE  QE      8.45                
 19 VAL  QG2    23 PHE  HD1     4.63                
 19 VAL  QG2    58 CYSS HB3     6.63                
 20 GLY  HN     20 GLY  HA1     3.00                
 20 GLY  HN     20 GLY  HA2     2.60                
 20 GLY  HN     21 PHE  HN      4.70                
 20 GLY  HA1    21 PHE  HN      3.50                
 20 GLY  HA1    51 GLY  HA2     5.60                
 20 GLY  HA1    57 LYS  HA      5.44                
 20 GLY  HA2    21 PHE  HN      4.00                
 20 GLY  HA2    21 PHE  HA      4.10                
 20 GLY  HA2    21 PHE  HB3     5.30                
 20 GLY  HA2    21 PHE  QD      7.42                
 20 GLY  HA2    22 GLY  HN      4.70                
 20 GLY  HA2    24 CYSS HN      4.90                
 20 GLY  HA2    49 ARG  HB2     5.30                
 20 GLY  HA2    49 ARG  HD2     5.84                
 20 GLY  HA2    51 GLY  HA2     5.60                
 20 GLY  HA2    55 ASN  HB2     5.50                
 20 GLY  HA2    58 CYSS HB2     5.60                
 21 PHE  HN     21 PHE  HA      4.00                
 21 PHE  HN     21 PHE  HB2     3.00                
 21 PHE  HN     21 PHE  HB3     3.00                
 21 PHE  HN     22 GLY  HN      3.20                
 21 PHE  HN     22 GLY  QA      6.18                
 21 PHE  HN     24 CYSS HB2     4.48                
 21 PHE  HA     21 PHE  HB2     3.20                
 21 PHE  HA     21 PHE  QE      7.42                
 21 PHE  HA     22 GLY  HN      3.80                
 21 PHE  HA     22 GLY  QA      5.10                
 21 PHE  HA     24 CYSS HN      3.80                
 21 PHE  HA     24 CYSS HA      5.40                
 21 PHE  HA     48 CYSS HB2     3.60                
 21 PHE  HB2    21 PHE  QD      7.42                
 21 PHE  HB2    22 GLY  HN      4.52                
 21 PHE  HB3    22 GLY  HN      3.00                
 21 PHE  HB3    24 CYSS HB2     5.19                
 21 PHE  HB3    24 CYSS HB3     5.40                
 21 PHE  HB3    48 CYSS HB2     5.30                
 21 PHE  QD     21 PHE  QE      9.54                
 21 PHE  QD     21 PHE  HZ      4.32                
 21 PHE  QD     27 ARG  QD      8.30                
 21 PHE  QD     50 TRP  HE3     7.42                
 21 PHE  QD     52 GLN  HE21    7.42                
 21 PHE  QE     22 GLY  QA      8.30                
 21 PHE  QE     27 ARG  HB2     7.42                
 21 PHE  QE     27 ARG  HB3     7.42                
 21 PHE  QE     27 ARG  HE      7.42                
 22 GLY  HN     22 GLY  QA      3.64                
 22 GLY  HN     23 PHE  HN      3.38                
 22 GLY  HN     24 CYSS HN      4.60                
 22 GLY  HN     52 GLN  HA      5.31                
 22 GLY  QA     23 PHE  HN      3.74                
 22 GLY  QA     23 PHE  HA      6.18                
 23 PHE  HN     23 PHE  HA      2.80                
 23 PHE  HN     23 PHE  HB2     4.10                
 23 PHE  HN     23 PHE  HB3     2.80                
 23 PHE  HN     23 PHE  HD1     4.60                
 23 PHE  HN     23 PHE  HD2     5.30                
 23 PHE  HN     24 CYSS HN      3.10                
 23 PHE  HA     32 ILE  HB      5.60                
 23 PHE  HA     32 ILE  QG2     6.63                
 23 PHE  HA     52 GLN  QG      6.68                
 23 PHE  HB2    23 PHE  HB3     5.30                
 23 PHE  HB2    24 CYSS HN      4.46                
 23 PHE  HB3    24 CYSS HN      4.20                
 23 PHE  HB3    52 GLN  QG      4.20                
 23 PHE  QE     23 PHE  HD1     7.42                
 23 PHE  QE     23 PHE  HZ      7.42                
 23 PHE  QE     23 PHE  HD2     4.60                
 24 CYSS HN     24 CYSS HA      3.00                
 24 CYSS HN     24 CYSS HB2     3.00                
 24 CYSS HN     24 CYSS HB3     3.50                
 24 CYSS HN     25 ALA  HN      4.70                
 24 CYSS HA     58 CYSS HB2     5.60                
 24 CYSS HB2    24 CYSS HB3     3.20                
 24 CYSS HB2    25 ALA  HN      4.38                
 24 CYSS HB2    47 ARG  HA      6.64                
 24 CYSS HB2    48 CYSS HB2     3.20                
 24 CYSS HB2    49 ARG  HA      7.64                
 24 CYSS HB3    33 CYSS HB2     5.50                
 24 CYSS HB3    33 CYSS HB2     5.30                
 24 CYSS HB3    60 CYSS HB2     5.50                
 24 CYSS HB3    60 CYSS HB2     5.30                
 25 ALA  HA     25 ALA  QB      6.33                
 25 ALA  QB     43 ALA  QB      7.66                
 27 ARG  HA     27 ARG  HB2     5.30                
 27 ARG  HA     28 ILE  HN      3.70                
 27 ARG  HB2    27 ARG  HG2     3.20                
 27 ARG  HB2    27 ARG  HG3     5.30                
 27 ARG  HB2    27 ARG  QD      3.45                
 27 ARG  HB2    30 PRO  HG2     5.50                
 27 ARG  HB2    30 PRO  HD3     5.50                
# 27 ARG  HB2    32 ILE  HG13    5.60                
 27 ARG  HB3    27 ARG  HG2     3.84                
 27 ARG  HB3    27 ARG  HG3     4.74                
 27 ARG  HB3    28 ILE  HN      3.70                
 27 ARG  HB3    28 ILE  HB      5.42                
 27 ARG  HB3    28 ILE  HG12    6.50                
# 27 ARG  HB3    32 ILE  HG12    5.60                
# 27 ARG  HB3    32 ILE  HG13    5.50                
 27 ARG  HG2    27 ARG  QD      3.20                
 27 ARG  HG2    28 ILE  HN      5.30                
 27 ARG  HG2    28 ILE  HA      5.10                
 27 ARG  HG2    32 ILE  QD1     5.92                
 27 ARG  HG3    27 ARG  QD      6.18                
 27 ARG  HG3    28 ILE  QG2     6.23                
 27 ARG  HG3    32 ILE  QD1     6.33                
 27 ARG  QD     30 PRO  HD3     6.38                
 27 ARG  QD     32 ILE  HG12    6.38                
 28 ILE  HN     28 ILE  HA      2.95                
 28 ILE  HN     28 ILE  HB      3.80                
 28 ILE  HN     28 ILE  QG2     6.33                
 28 ILE  HN     28 ILE  HG13    4.50                
 28 ILE  HN     28 ILE  QD1     5.68                
 28 ILE  HA     28 ILE  QD1     4.93                
 28 ILE  HA     29 PHE  HN      3.60                
 28 ILE  HB     28 ILE  HG12    3.20                
 28 ILE  HB     28 ILE  HG13    3.20                
 28 ILE  HB     28 ILE  QD1     3.93                
 28 ILE  HB     29 PHE  HN      4.20                
 28 ILE  HB     30 PRO  HG3     5.30                
 28 ILE  HB     30 PRO  HD3     5.30                
 28 ILE  QG2    28 ILE  HG13    3.23                
 28 ILE  QG2    28 ILE  QD1     7.36                
 28 ILE  QG2    29 PHE  HN      4.30                
 28 ILE  HG12   28 ILE  HG13    3.20                
 28 ILE  HG12   28 ILE  QD1     3.23                
 28 ILE  HG12   29 PHE  HN      3.97                
 28 ILE  HG13   28 ILE  QD1     3.23                
 28 ILE  HG13   30 PRO  HG3     5.30                
 28 ILE  HG13   32 ILE  QD1     6.53                
 28 ILE  QD1    32 ILE  HG13    6.53                
 29 PHE  HN     29 PHE  HA      4.49                
 29 PHE  HN     29 PHE  HB2     3.66                
 29 PHE  HN     29 PHE  HB3     4.62                
 29 PHE  HA     29 PHE  HB2     5.30                
 29 PHE  HA     32 ILE  HN      4.60                
 29 PHE  HA     33 CYSS HN      5.30                
 29 PHE  HA     33 CYSS HB3     5.60                
 29 PHE  HB2    30 PRO  HG3     5.60                
 29 PHE  HB2    30 PRO  HD3     5.30                
 29 PHE  HB3    32 ILE  HG12    5.90                
 29 PHE  HB3    32 ILE  HG13    5.90                
 29 PHE  HB3    33 CYSS HB2     5.60                
 29 PHE  HB3    33 CYSS HB3     5.30                
 30 PRO  HA     30 PRO  HB3     4.52                
 30 PRO  HA     30 PRO  HG2     5.30                
 30 PRO  HA     30 PRO  HD3     4.93                
 30 PRO  HA     31 THR  HN      3.60                
 30 PRO  HA     31 THR  HB      5.30                
 30 PRO  HB2    30 PRO  HD3     5.30                
 30 PRO  HB2    31 THR  HN      3.80                
 30 PRO  HB3    30 PRO  HG3     5.05                
 30 PRO  HB3    31 THR  HN      4.50                
 30 PRO  HG2    30 PRO  HD2     5.30                
 30 PRO  HG2    30 PRO  HD3     5.30                
 30 PRO  HG3    30 PRO  HD2     3.20                
 30 PRO  HG3    30 PRO  HD3     3.20                
 30 PRO  HG3    32 ILE  HG12    5.30                
 30 PRO  HG3    32 ILE  QD1     6.05                
 30 PRO  HD2    30 PRO  HD3     5.30                
 30 PRO  HD2    31 THR  QG2     6.33                
 30 PRO  HD2    33 CYSS HB2     5.50                
# 30 PRO  HD3    31 THR  QG2     6.33                
 30 PRO  HD3    32 ILE  HN      5.30                
 30 PRO  HD3    32 ILE  HG12    5.30                
 31 THR  HN     31 THR  HA      2.80                
 31 THR  HN     31 THR  HB      3.90                
 31 THR  HN     31 THR  QG2     4.60                
 31 THR  HN     34 TYR  HB3     5.11                
 31 THR  HA     31 THR  HB      3.60                
 31 THR  HA     31 THR  QG2     3.83                
 31 THR  HA     32 ILE  HN      3.58                
 31 THR  HA     34 TYR  QE      7.43                
 31 THR  HB     32 ILE  HN      4.70                
 31 THR  HB     34 TYR  HB3     5.60                
 31 THR  QG2    32 ILE  HN      5.30                
 31 THR  QG2    32 ILE  QD1     7.36                
 32 ILE  HN     32 ILE  HA      3.00                
 32 ILE  HN     32 ILE  HB      3.90                
 32 ILE  HN     32 ILE  QG2     4.71                
 32 ILE  HN     32 ILE  HG12    3.20                
 32 ILE  HN     32 ILE  HG13    3.80                
 32 ILE  HN     32 ILE  QD1     4.31                
 32 ILE  HN     33 CYSS HN      3.50                
 32 ILE  HN     34 TYR  HN      4.00                
 32 ILE  HA     32 ILE  QG2     3.73                
 32 ILE  HA     32 ILE  HG12    3.80                
 32 ILE  HA     32 ILE  HG13    4.10                
 32 ILE  HA     32 ILE  QD1     4.90                
 32 ILE  HA     33 CYSS HA      5.30                
 32 ILE  HA     34 TYR  HA      6.60                
 32 ILE  HA     34 TYR  HB2     6.10                
 32 ILE  HA     35 THR  HN      3.70                
 32 ILE  HA     35 THR  HB      4.10                
 32 ILE  HA     35 THR  QG2     4.03                
 32 ILE  HA     36 ARG  HN      5.75                
 32 ILE  HB     32 ILE  QG2     3.23                
 32 ILE  HB     32 ILE  HG12    4.20                
 32 ILE  HB     32 ILE  QD1     3.63                
 32 ILE  HB     33 CYSS HN      3.80                
 32 ILE  QG2    32 ILE  HG12    6.33                
 32 ILE  QG2    32 ILE  HG13    3.23                
 32 ILE  QG2    32 ILE  QD1     4.26                
 32 ILE  QG2    33 CYSS HN      4.91                
 32 ILE  HG12   32 ILE  HG13    5.30                
 32 ILE  HG12   32 ILE  QD1     5.61                
 32 ILE  HG12   33 CYSS HB2     5.30                
 32 ILE  HG12   35 THR  QG2     6.33                
 32 ILE  HG13   32 ILE  QD1     3.23                
 33 CYSS HN     33 CYSS HA      2.80                
 33 CYSS HN     33 CYSS HB2     3.30                
 33 CYSS HN     33 CYSS HB3     3.70                
 33 CYSS HN     34 TYR  HN      3.28                
 33 CYSS HN     34 TYR  HB3     5.30                
 33 CYSS HA     33 CYSS HB2     4.07                
 33 CYSS HA     33 CYSS HB3     3.52                
 33 CYSS HA     34 TYR  HN      3.60                
 33 CYSS HA     36 ARG  HN      3.60                
 33 CYSS HB2    33 CYSS HB3     5.30                
 33 CYSS HB2    34 TYR  HN      4.30                
 33 CYSS HB3    34 TYR  HN      3.50                
 34 TYR  HN     34 TYR  HA      4.10                
 34 TYR  HN     34 TYR  HB2     2.80                
 34 TYR  HN     34 TYR  HB3     3.50                
 34 TYR  HN     35 THR  HN      2.95                
 34 TYR  HA     34 TYR  HB3     3.20                
 34 TYR  HA     34 TYR  HD1     5.30                
 34 TYR  HA     34 TYR  HD2     5.30                
 34 TYR  HA     35 THR  HN      3.70                
 34 TYR  HA     37 CYSS HN      4.80                
 34 TYR  HA     37 CYSS QB      6.00                
 34 TYR  HB2    34 TYR  HB3     3.20                
 34 TYR  HB3    34 TYR  HD1     5.30                
 34 TYR  HB3    35 THR  HN      4.34                
 34 TYR  QE     35 THR  HB      7.43                
 34 TYR  HD1    35 THR  HN      4.28                
 34 TYR  HD2    35 THR  HN      5.30                
 35 THR  HN     35 THR  HA      3.20                
 35 THR  HN     35 THR  HB      5.30                
 35 THR  HN     35 THR  QG2     3.88                
 35 THR  HN     36 ARG  HN      3.80                
 35 THR  HN     38 ARG  HN      5.50                
 35 THR  HA     35 THR  HB      5.30                
 35 THR  HA     35 THR  QG2     4.23                
 35 THR  HA     36 ARG  HN      3.70                
 35 THR  HA     38 ARG  HN      5.30                
 35 THR  HA     38 ARG  HA      6.60                
 35 THR  HA     38 ARG  QB      6.60                
 35 THR  HA     38 ARG  HG2     5.80                
 35 THR  HB     36 ARG  HN      3.70                
 35 THR  QG2    36 ARG  HN      3.81                
 35 THR  QG2    36 ARG  HB2     6.33                
 35 THR  QG2    36 ARG  HB3     5.90                
 35 THR  QG2    36 ARG  HD3     6.33                
 36 ARG  HN     36 ARG  HA      3.32                
 36 ARG  HN     36 ARG  HB2     2.80                
 36 ARG  HN     36 ARG  HB3     3.60                
 36 ARG  HN     37 CYSS HN      4.60                
 36 ARG  HA     36 ARG  HB2     4.17                
 36 ARG  HA     36 ARG  HD2     4.45                
 36 ARG  HA     36 ARG  HD2     5.30                
 36 ARG  HA     37 CYSS HN      3.70                
 36 ARG  HA     38 ARG  HN      5.30                
 36 ARG  HA     39 GLU  HN      6.65                
 36 ARG  HA     39 GLU  HB2     5.50                
 36 ARG  HB2    37 CYSS HN      3.90                
 36 ARG  HB3    36 ARG  HD2     5.30                
 36 ARG  HB3    37 CYSS HN      2.80                
 36 ARG  HB3    37 CYSS HA      5.42                
 36 ARG  HB3    40 ASN  HB2     7.00                
 36 ARG  QG     37 CYSS HA      6.18                
 36 ARG  HD2    36 ARG  HD3     6.30                
 36 ARG  HD3    39 GLU  HG3     6.30                
 37 CYSS HN     37 CYSS HA      2.80                
 37 CYSS HN     37 CYSS HB2     2.80                
 37 CYSS HN     37 CYSS HB3     3.80                
 37 CYSS HN     38 ARG  HN      3.80                
 37 CYSS HA     37 CYSS HB3     3.20                
 37 CYSS HA     38 ARG  HN      5.30                
 37 CYSS HA     39 GLU  HB3     5.60                
 37 CYSS HA     40 ASN  HN      6.15                
 37 CYSS HA     60 CYSS HA      7.10                
 37 CYSS HA     60 CYSS HB3     4.84                
 37 CYSS HB2    37 CYSS HB3     3.20                
 37 CYSS HB2    38 ARG  HN      4.90                
 37 CYSS HB2    43 ALA  QB      6.53                
 37 CYSS HB2    60 CYSS HB3     5.30                
 37 CYSS HB3    38 ARG  HN      5.00                
 37 CYSS HB3    39 GLU  HB2     5.80                
 37 CYSS HB3    40 ASN  HB3     5.60                
 37 CYSS HB3    60 CYSS HA      5.60                
 37 CYSS HB3    60 CYSS HB2     3.92  #r              
 38 ARG  HN     38 ARG  HA      3.30                
 38 ARG  HN     38 ARG  HB2     4.05                
 38 ARG  HN     38 ARG  HB3     3.80                
 38 ARG  HN     38 ARG  HG2     4.30                
 38 ARG  HN     38 ARG  HG3     5.30                
 38 ARG  HN     38 ARG  HD2     5.30                
 38 ARG  HN     39 GLU  HN      4.00                
 38 ARG  HA     38 ARG  HB2     4.07                
 38 ARG  HA     38 ARG  HG2     5.30                
 38 ARG  HA     39 GLU  HN      4.70                
 38 ARG  HB2    38 ARG  HB3     4.62                
 38 ARG  HB2    38 ARG  HG2     3.20                
 38 ARG  HB2    38 ARG  HG3     4.87                
 38 ARG  HB2    39 GLU  HN      4.30                
 38 ARG  HB2    39 GLU  HB3     5.98                
 38 ARG  HB3    38 ARG  HG3     3.20                
 38 ARG  HB3    39 GLU  HN      4.10                
 38 ARG  HB3    39 GLU  HB3     5.00                
 38 ARG  HG2    38 ARG  HG3     3.20                
 38 ARG  HG2    38 ARG  HD3     3.20                
 38 ARG  HG2    39 GLU  HN      5.30                
 38 ARG  HG2    41 LYS  HG2     5.20                
 38 ARG  HG2    41 LYS  HD2     4.00                
 38 ARG  HG2    41 LYS  HD3     3.80                
 38 ARG  HG2    41 LYS  HE2     3.20                
 38 ARG  HG3    38 ARG  HD2     3.20                
 38 ARG  HG3    39 GLU  HB3     5.30                
 38 ARG  HD2    38 ARG  HD3     5.30                
 38 ARG  HD3    39 GLU  HN      3.95                
 39 GLU  HN     39 GLU  HA      2.80                
 39 GLU  HN     39 GLU  HB2     4.30                
 39 GLU  HN     39 GLU  HG2     4.87                
 39 GLU  HN     39 GLU  HG3     3.99                
 39 GLU  HN     40 ASN  HN      3.10                
 39 GLU  HN     40 ASN  HD21    3.70                
 39 GLU  HA     39 GLU  HB2     4.62                
 39 GLU  HA     40 ASN  HN      3.70                
 39 GLU  HB2    41 LYS  HB2     5.70                
 39 GLU  HB3    40 ASN  HN      3.60                
 39 GLU  HG3    40 ASN  HN      4.77                
 40 ASN  HN     40 ASN  HA      3.00                
 40 ASN  HN     40 ASN  HB2     3.99                
 40 ASN  HN     40 ASN  HB3     4.00                
 40 ASN  HN     41 LYS  HN      3.90                
 40 ASN  HN     41 LYS  HG2     5.30                
 40 ASN  HN     41 LYS  HE2     5.50                
 40 ASN  HA     40 ASN  HB3     5.30                
 40 ASN  HA     61 ASP  HA      7.30                
 40 ASN  HB2    40 ASN  HD21    3.30                
 40 ASN  HB2    41 LYS  HN      4.80                
 40 ASN  HB2    41 LYS  HG2     6.30                
 40 ASN  HB3    40 ASN  HD21    3.30                
 40 ASN  HB3    42 GLY  QA      6.58                
 40 ASN  HB3    43 ALA  QB      6.33                
 40 ASN  HD21   41 LYS  HB2     5.60                
 41 LYS  HN     41 LYS  HA      2.94                
 41 LYS  HN     41 LYS  HB2     3.30                
 41 LYS  HN     41 LYS  HB3     4.10                
 41 LYS  HN     41 LYS  HG2     3.27                
 41 LYS  HN     42 GLY  HN      4.30                
 41 LYS  HN     42 GLY  QA      5.97                
 41 LYS  HN     43 ALA  HN      4.80                
 41 LYS  HN     62 PHE  QE      7.42                
 41 LYS  HA     41 LYS  HB2     5.30                
 41 LYS  HA     41 LYS  HB3     5.30                
 41 LYS  HA     41 LYS  HD2     5.30                
 41 LYS  HA     41 LYS  HD3     5.30                
 41 LYS  HA     42 GLY  HN      3.60                
 41 LYS  HB2    43 ALA  HN      5.24                
 41 LYS  HB3    41 LYS  HG2     5.30                
 41 LYS  HB3    41 LYS  HD3     5.30                
 41 LYS  HG2    41 LYS  HE2     5.30                
 41 LYS  HG2    41 LYS  HE3     5.30                
 42 GLY  HN     42 GLY  QA      3.64                
 42 GLY  HN     43 ALA  HN      3.00                
 42 GLY  QA     43 ALA  HN      3.64                
 43 ALA  HN     43 ALA  HA      4.14                
 43 ALA  HN     43 ALA  QB      3.81                
 43 ALA  HN     60 CYSS HB3     7.30                
 43 ALA  HA     43 ALA  QB      6.33                
 43 ALA  HA     44 LYS  HN      3.30                
 43 ALA  HA     44 LYS  HA      5.30                
 43 ALA  HA     62 PHE  HA      5.44                
 43 ALA  QB     44 LYS  HN      4.31                
 43 ALA  QB     45 GLY  HN      5.60                
 43 ALA  QB     60 CYSS HB2     6.33                
 43 ALA  QB     60 CYSS HB3     6.33                
 43 ALA  QB     62 PHE  QD      8.45                
 43 ALA  QB     62 PHE  QE      5.66                
 44 LYS  HN     44 LYS  HA      4.52                
 44 LYS  HN     44 LYS  HB2     3.30                
 44 LYS  HN     44 LYS  HD3     4.96                
 44 LYS  HN     45 GLY  HN      4.30                
 44 LYS  HN     62 PHE  HA      4.20                
 44 LYS  HN     67 PRO  HA      5.60                
 44 LYS  HA     44 LYS  HB2     3.20                
 44 LYS  HA     44 LYS  HB3     3.20                
 44 LYS  HA     44 LYS  QG      6.18                
 44 LYS  HA     45 GLY  HA2     5.18                
# 44 LYS  HA     64 GLY  HN      5.90                
# 44 LYS  HA     64 GLY  HA2     5.70                
 44 LYS  HA     67 PRO  HB2     5.30                
 44 LYS  HA     67 PRO  HG2     5.60                
 44 LYS  HA     67 PRO  HD3     5.70                
 44 LYS  HA     68 GLN  HB3     5.30                
 44 LYS  HA     68 GLN  HB3     5.30                
 44 LYS  HB2    44 LYS  HB3     5.30                
 44 LYS  HB2    44 LYS  HD2     5.30                
 44 LYS  HB2    44 LYS  HD3     5.30                
 44 LYS  HB2    45 GLY  HN      3.63                
 44 LYS  HB3    44 LYS  QG      6.18                
 44 LYS  HB3    44 LYS  HD2     4.09                
 44 LYS  HB3    44 LYS  HD3     5.30                
 44 LYS  HB3    45 GLY  HN      2.71                
 44 LYS  HB3    62 PHE  QD      7.42                
 44 LYS  HB3    63 CYSS HA      5.60                
 44 LYS  HB3    67 PRO  HA      5.30                
 44 LYS  HB3    67 PRO  HB3     5.30                
 44 LYS  HB3    68 GLN  HB2     6.10                
 44 LYS  QG     44 LYS  HD2     6.18                
 44 LYS  QG     44 LYS  HE2     6.18                
 44 LYS  QG     45 GLY  HA2     6.18                
 44 LYS  QG     63 CYSS HN      5.45                
 44 LYS  QG     64 GLY  HN      5.70                
 44 LYS  QG     65 ASP  HN      5.19                
 44 LYS  QG     66 THR  HN      5.21                
 44 LYS  QG     67 PRO  HD3     6.18                
 44 LYS  QG     68 GLN  HN      5.26                
 44 LYS  HD2    44 LYS  HE2     3.20                
 44 LYS  HD2    62 PHE  HA      5.30                
 44 LYS  HD2    65 ASP  HB2     5.30                
 44 LYS  HD2    67 PRO  HB3     5.30                
 44 LYS  HD3    45 GLY  HA2     5.30                
 44 LYS  HD3    67 PRO  HA      5.60                
 44 LYS  HE2    45 GLY  HA2     5.30                
 44 LYS  HE2    63 CYSS HB3     5.50                
 44 LYS  HE2    65 ASP  HA      5.60                
 44 LYS  HE2    65 ASP  HB3     5.60                
 45 GLY  HN     45 GLY  HA1     2.96                
 45 GLY  HN     45 GLY  HA2     2.68                
 45 GLY  HN     46 GLY  HN      4.10                
 45 GLY  HA1    46 GLY  HN      3.64                
 45 GLY  HA1    64 GLY  HA1     5.30                
 45 GLY  HA1    64 GLY  HA1     5.30                
 45 GLY  HA2    46 GLY  HN      3.60                
 46 GLY  HN     46 GLY  HA1     2.78                
 46 GLY  HN     60 CYSS HA      5.10                
 46 GLY  HN     61 ASP  HN      4.18                
 46 GLY  HA1    46 GLY  HA2     3.20                
 46 GLY  HA1    47 ARG  HN      3.72                
 46 GLY  HA1    47 ARG  HA      4.13                
 46 GLY  HA1    59 LEU  HA      5.60                
 46 GLY  HA1    61 ASP  HN      3.70                
 46 GLY  HA1    64 GLY  HA2     4.74                
 46 GLY  HA2    47 ARG  HN      2.80                
 47 ARG  HN     47 ARG  HA      4.22                
 47 ARG  HN     47 ARG  HB2     3.50                
 47 ARG  HN     47 ARG  HB3     3.60                
 47 ARG  HN     47 ARG  HG2     4.30                
 47 ARG  HN     59 LEU  HN      4.60                
 47 ARG  HN     59 LEU  HB3     5.00                
 47 ARG  HN     59 LEU  QD1     4.74                
 47 ARG  HN     59 LEU  QD2     6.33                
 47 ARG  HN     60 CYSS HA      4.15                
 47 ARG  HA     47 ARG  HB2     3.20                
 47 ARG  HA     47 ARG  HB3     3.20                
 47 ARG  HA     48 CYSS HN      2.70                
 47 ARG  HA     60 CYSS HA      6.65                
 47 ARG  HB2    48 CYSS HN      4.40                
 47 ARG  HB2    48 CYSS HB3     6.30                
 47 ARG  HB3    47 ARG  HD3     5.30                
 47 ARG  HB3    59 LEU  HB3     5.30                
 47 ARG  HB3    59 LEU  QD2     6.33                
 47 ARG  HG2    48 CYSS HN      5.30                
 47 ARG  HG2    59 LEU  QD2     6.33                
 47 ARG  HG3    47 ARG  HD3     3.60                
 47 ARG  HG3    59 LEU  QD1     6.33                
 47 ARG  HG3    59 LEU  QD2     6.33                
 47 ARG  HD2    47 ARG  HD3     5.30                
 47 ARG  HD2    48 CYSS HB2     4.60                
 47 ARG  HD3    57 LYS  HG2     5.60                
 48 CYSS HN     48 CYSS HA      4.40                
 48 CYSS HN     48 CYSS HB2     3.50                
 48 CYSS HN     48 CYSS HB3     4.03                
 48 CYSS HN     49 ARG  HN      4.40                
 48 CYSS HN     59 LEU  QD1     5.10                
 48 CYSS HA     49 ARG  HN      2.50                
 48 CYSS HA     58 CYSS HA      5.18                
 48 CYSS HB2    48 CYSS HB3     3.20                
 48 CYSS HB2    49 ARG  HN      3.70                
 48 CYSS HB3    49 ARG  HN      3.90                
 49 ARG  HN     49 ARG  HA      2.90                
 49 ARG  HN     49 ARG  HB2     2.80                
 49 ARG  HN     49 ARG  HB3     3.50                
 49 ARG  HN     58 CYSS HA      4.57                
 49 ARG  HN     59 LEU  HN      5.80                
 49 ARG  HN     59 LEU  QD1     5.80                
 49 ARG  HA     49 ARG  HB2     5.30                
 49 ARG  HA     50 TRP  HN      2.90 #r                
 49 ARG  HA     57 LYS  HG2     5.90                
 49 ARG  HB2    49 ARG  HD2     5.30                
 49 ARG  HB2    49 ARG  HD3     5.30                
 49 ARG  HB2    50 TRP  HN      5.30                
 49 ARG  HB2    57 LYS  HG2     4.50                
 49 ARG  HB2    59 LEU  HN      5.60                
 49 ARG  HB3    50 TRP  HN      3.64                
 49 ARG  HB3    57 LYS  HA      5.60                
 49 ARG  HG2    56 VAL  HB      5.30                
 49 ARG  HG3    49 ARG  HD3     5.30                
 49 ARG  HG3    56 VAL  HB      5.30                
 49 ARG  HG3    57 LYS  HG2     5.27                
 49 ARG  HD2    49 ARG  HD3     3.20                
 49 ARG  HD2    50 TRP  HB2     4.20                
 49 ARG  HD2    57 LYS  HB2     5.60                
 49 ARG  HD3    57 LYS  HG2     5.30                
 50 TRP  HN     50 TRP  HA      2.95                
 50 TRP  HN     50 TRP  HB2     3.80                
 50 TRP  HN     50 TRP  HB3     3.80                
 50 TRP  HN     56 VAL  QG2     4.25                
 50 TRP  HA     51 GLY  HN      3.65                
 50 TRP  HB2    50 TRP  HB3     5.30                
 50 TRP  HB2    51 GLY  HN      4.20                
 50 TRP  HB2    51 GLY  HA2     4.90                
 50 TRP  HB3    51 GLY  HN      4.70                
 50 TRP  HB3    51 GLY  HA2     5.50                
 50 TRP  HE3    50 TRP  HH2     5.30                
 50 TRP  HE1    56 VAL  QG2     5.10                
 50 TRP  HZ2    50 TRP  HH2     3.20                
 51 GLY  HN     51 GLY  HA2     2.80                
 51 GLY  HN     56 VAL  HB      5.50                
 51 GLY  HN     56 VAL  QG2     4.02                
 51 GLY  HA1    51 GLY  HA2     5.30                
 51 GLY  HA1    52 GLN  HN      3.60                
 51 GLY  HA2    52 GLN  HN      2.80                
 51 GLY  HA2    52 GLN  HB2     5.30                
 51 GLY  HA2    53 GLY  HA2     5.50                
 51 GLY  HA2    55 ASN  HB2     5.30                
 51 GLY  HA2    56 VAL  HB      5.05                
 52 GLN  HN     52 GLN  HA      3.53                
 52 GLN  HN     52 GLN  HB3     3.70                
 52 GLN  HN     52 GLN  QG      4.55                
 52 GLN  HN     53 GLY  HN      4.40                
 52 GLN  HN     55 ASN  HB2     3.70                
 52 GLN  HN     55 ASN  HB3     4.45                
 52 GLN  HA     52 GLN  HB2     3.20                
 52 GLN  HA     52 GLN  HB3     3.20                
 52 GLN  HA     53 GLY  HN      3.50                
 52 GLN  HB2    52 GLN  QG      6.18                
 52 GLN  HB2    53 GLY  HN      4.40                
 52 GLN  HB3    52 GLN  QG      6.18                
 52 GLN  HE21   52 GLN  HE22    2.66                
 53 GLY  HN     53 GLY  HA1     2.80                
 53 GLY  HN     53 GLY  HA2     3.00                
 53 GLY  HN     54 SER  HN      3.85                
 53 GLY  HA1    53 GLY  HA2     3.20                
 53 GLY  HA1    54 SER  HN      3.70                
 53 GLY  HA2    54 SER  HN      2.80                
 53 GLY  HA2    54 SER  QB      6.18                
 53 GLY  HA2    55 ASN  HB2     5.30                
 54 SER  HN     54 SER  HA      2.80                
 54 SER  HN     55 ASN  HN      2.80                
 54 SER  HA     55 ASN  HN      3.50                
 54 SER  QB     55 ASN  HN      6.18                
 55 ASN  HN     55 ASN  HA      3.78                
 55 ASN  HN     55 ASN  HB2     3.00                
 55 ASN  HN     55 ASN  HB3     3.80                
 55 ASN  HN     55 ASN  HD21    4.26                
 55 ASN  HA     56 VAL  HN      3.70                
 55 ASN  HB2    55 ASN  HD21    3.50                
 55 ASN  HB2    56 VAL  HN      5.27                
 55 ASN  HB3    56 VAL  HN      4.30                
 55 ASN  HD21   55 ASN  HD22    2.80                
 56 VAL  HN     56 VAL  HA      2.95                
 56 VAL  HN     56 VAL  HB      3.80                
 56 VAL  HN     56 VAL  QG1     4.60                
 56 VAL  HN     56 VAL  QG2     4.30                
 56 VAL  HA     56 VAL  QG2     6.00                
 56 VAL  HA     57 LYS  HN      3.60                
 56 VAL  HB     56 VAL  QG2     3.23                
 56 VAL  HB     57 LYS  HN      4.10                
 56 VAL  HB     57 LYS  HG2     5.30                
# 56 VAL  HB     58 CYSS HB3     5.60                
 56 VAL  QG1    57 LYS  HN      5.20                
 56 VAL  QG2    57 LYS  HN      4.90                
 57 LYS  HN     57 LYS  HA      2.95                
 57 LYS  HN     57 LYS  HB2     3.50                
 57 LYS  HN     57 LYS  HD2     4.84                
 57 LYS  HN     58 CYSS HA      5.38                
 57 LYS  HA     58 CYSS HN      2.50                
 57 LYS  HB2    58 CYSS HN      4.30                
 57 LYS  HG2    57 LYS  HE2     3.20                
 57 LYS  HG2    59 LEU  HB3     4.80                
 57 LYS  HG2    59 LEU  QD2     3.65                
 57 LYS  HD2    57 LYS  HE2     5.30                
 57 LYS  HD2    58 CYSS HN      5.21                
 57 LYS  HE2    59 LEU  QD2     5.86                
 58 CYSS HN     58 CYSS HA      2.87                
 58 CYSS HN     58 CYSS HB2     3.40                
 58 CYSS HN     58 CYSS HB3     4.24                
 58 CYSS HN     59 LEU  HN      4.60                
 58 CYSS HA     59 LEU  HN      2.50                
 58 CYSS HA     59 LEU  HB2     5.18                
 58 CYSS HB2    59 LEU  HN      4.30                
 58 CYSS HB3    59 LEU  HA      4.70                
 59 LEU  HN     59 LEU  HA      2.98                
 59 LEU  HN     59 LEU  HB2     3.40                
 59 LEU  HN     59 LEU  HB3     3.80                
 59 LEU  HN     59 LEU  HG      4.00                
 59 LEU  HN     59 LEU  QD1     3.81                
 59 LEU  HN     59 LEU  QD2     6.33                
 59 LEU  HN     60 CYSS HN      4.40                
 59 LEU  HN     60 CYSS HA      5.43                
 59 LEU  HA     59 LEU  HB3     3.20                
 59 LEU  HA     60 CYSS HN      2.50                
 59 LEU  HA     60 CYSS HA      4.90                
 59 LEU  HB2    59 LEU  HB3     3.20                
 59 LEU  HB2    59 LEU  HG      3.20                
 59 LEU  HB2    59 LEU  QD2     3.23                
 59 LEU  HB2    60 CYSS HN      3.54                
 59 LEU  HB2    60 CYSS HA      5.25                
 59 LEU  HB2    61 ASP  HN      6.09                
 59 LEU  HB2    61 ASP  HB2     6.20                
 59 LEU  HB2    63 CYSS HB2     5.60                
 59 LEU  HB2    64 GLY  HA1     5.60                
 59 LEU  HB3    59 LEU  QD1     6.33                
 59 LEU  HB3    59 LEU  QD2     3.23                
 59 LEU  HB3    60 CYSS HN      4.30                
 59 LEU  HB3    63 CYSS HN      5.80 #r               
 59 LEU  QD2    60 CYSS HN      6.33                
 60 CYSS HN     60 CYSS HA      3.04                
 60 CYSS HN     60 CYSS HB2     3.00                
 60 CYSS HN     60 CYSS HB3     4.00                
 60 CYSS HA     60 CYSS HB2     4.37                
 60 CYSS HA     60 CYSS HB3     3.20                
 60 CYSS HA     61 ASP  HN      3.20                
 60 CYSS HA     61 ASP  HA      4.83                
 60 CYSS HA     61 ASP  HB3     4.85                
 60 CYSS HB2    60 CYSS HB3     5.30                
 60 CYSS HB2    61 ASP  HN      4.30                
 61 ASP  HN     61 ASP  HA      2.90                
 61 ASP  HN     61 ASP  HB2     3.30                
 61 ASP  HN     61 ASP  HB3     3.50                
 61 ASP  HA     62 PHE  HN      3.15 #r                
 61 ASP  HA     63 CYSS HN      4.70                
 61 ASP  HB3    62 PHE  HA      5.02                
 62 PHE  HN     62 PHE  HA      2.94                
 62 PHE  HN     62 PHE  HB2     3.30                
 62 PHE  HN     62 PHE  HB3     4.00                
 62 PHE  HN     62 PHE  QD      5.67                
 62 PHE  HN     63 CYSS HN      3.10                
 62 PHE  HA     62 PHE  HB2     4.20                
 62 PHE  HA     62 PHE  QD      7.42                
 62 PHE  HA     63 CYSS HN      3.68                
 62 PHE  HB2    62 PHE  HB3     5.30                
 62 PHE  HB2    62 PHE  QD      7.42                
 62 PHE  HB2    63 CYSS HA      4.73                
 62 PHE  HB2    63 CYSS HB2     5.70                
 62 PHE  HB3    63 CYSS HN      4.80                
 62 PHE  HB3    67 PRO  HB3     5.60                
 62 PHE  QD     62 PHE  QE      9.54                
 63 CYSS HN     63 CYSS HA      2.99                
 63 CYSS HN     63 CYSS HB2     3.08                
 63 CYSS HN     63 CYSS HB3     3.75                
 63 CYSS HN     64 GLY  HN      4.40                
 63 CYSS HA     63 CYSS HB2     3.53                
 63 CYSS HA     64 GLY  HN      3.60                
 63 CYSS HB2    64 GLY  HN      4.00                
 63 CYSS HB3    64 GLY  HN      2.84                
 64 GLY  HN     64 GLY  HA1     2.80                
 64 GLY  HN     64 GLY  QA      5.62                
 64 GLY  HN     65 ASP  HN      4.90                
 64 GLY  HA1    65 ASP  HN      2.80                
 65 ASP  HN     65 ASP  HA      3.00                
 65 ASP  HN     65 ASP  HB2     3.30                
 65 ASP  HN     65 ASP  HB3     3.70                
 65 ASP  HA     65 ASP  HB3     3.20                
 65 ASP  HA     66 THR  HN      3.60                
 66 THR  HN     66 THR  HA      3.00                
 66 THR  HN     66 THR  HB      4.00                
 66 THR  HN     66 THR  QG2     6.33                
 66 THR  HN     67 PRO  HD2     4.39                
 66 THR  HN     68 GLN  HN      5.60                
 66 THR  HA     67 PRO  HD2     4.72                
 66 THR  HA     67 PRO  HD3     5.30                
 66 THR  HB     67 PRO  HA      5.20                
 66 THR  HB     67 PRO  HD3     3.50                
 66 THR  HB     68 GLN  HA      4.59                
 66 THR  QG2    68 GLN  HN      6.33                
 67 PRO  HA     67 PRO  HB3     5.30                
 67 PRO  HB3    67 PRO  HD3     3.30                
 67 PRO  HB3    68 GLN  HB2     5.30                
 67 PRO  HG2    67 PRO  HG3     5.30                
 67 PRO  HG3    67 PRO  HD2     5.30                
 67 PRO  HD2    67 PRO  HD3     5.30                
 68 GLN  HN     68 GLN  HA      2.80                
 68 GLN  HN     68 GLN  HB3     2.90                
 68 GLN  HB2    68 GLN  HB3     3.84                

#  3 GLU  HB3    13 LYS  HA      5.50   # peak     25
  4 ILE  HB     13 LYS  HB3     5.50   # peak   1815
  4 ILE  HB     17 GLY  HA1     5.50   # peak    107
 # 4 ILE  QG2     7 GLN  HB2     6.53   # peak   2134
  4 ILE  QG2    15 TYR  HB3     6.53   # peak   2123
#  4 ILE  HG12   15 TYR  HB2     5.50   # peak    393
  4 ILE  QD1    57 LYS  HB2     6.53   # peak   1929
#  4 ILE  QD1    63 CYSS HB2     6.53   # peak    234
#  5 GLU  HB3    13 LYS  HA      5.50   # peak     26
#  6 ALA  QB     10 GLU  HB2     6.53   # peak    791
  6 ALA  QB     57 LYS  HE2     6.53   # peak   1558
#  9 ASN  HA     57 LYS  HE2     5.50   # peak   1133
#  9 ASN  QB     11 CYSS HA      6.38   # peak     47
# 10 GLU  HB2    59 LEU  HB2     5.50   # peak    546
 10 GLU  HB3    12 LEU  QD1     6.53   # peak    592
 10 GLU  HB3    47 ARG  HG3     5.50   # peak    586
# 10 GLU  QG     48 CYSS HB2     6.38   # peak   1462
 11 CYSS HB3    63 CYSS HA      5.50   # peak     57
 12 LEU  HG     47 ARG  HB3     5.50   # peak   1847
 12 LEU  QD1    59 LEU  HB3     6.53   # peak    868
# 14 GLU  QB     63 CYSS HB2     6.38   # peak    226
# 15 TYR  HB2    59 LEU  HA      5.50   # peak     43
 15 TYR  HB2    61 ASP  HB2     5.50   # peak    380
 15 TYR  HB2    62 PHE  QD      7.62   # peak    973
# 15 TYR  HB2    63 CYSS HB3     5.50   # peak    337
 15 TYR  HB3    36 ARG  HD3     5.50   # peak   1645
# 15 TYR  HB3    58 CYSS HB3     5.50   # peak   1629
# 15 TYR  HB3    59 LEU  HA      5.50   # peak   1138
 15 TYR  QE     43 ALA  QB      8.66   # peak   1055
# 16 GLY  HA2    59 LEU  HB3     5.50   # peak    277
 18 ASP  HB2    23 PHE  HB2     5.50   # peak   1602
 18 ASP  HB2    58 CYSS HB3     5.50   # peak   1600
 18 ASP  HB3    23 PHE  HB3     5.50   # peak    442
 18 ASP  HB3    36 ARG  HD2     5.50   # peak    379
# 19 VAL  QG2    56 VAL  QG1     7.56   # peak   2285
 19 VAL  QG2    58 CYSS HB3     6.53   # peak   2281
# 20 GLY  HA1    47 ARG  HA      5.50   # peak   1371
# 20 GLY  HA1    49 ARG  HA      5.50   # peak   1370
# 20 GLY  HA1    56 VAL  HA      5.50   # peak   1176
# 20 GLY  HA1    59 LEU  HA      5.50   # peak   1141
# 20 GLY  HA1    60 CYSS HB2     5.50   # peak    358
  21 PHE  HA     52 GLN  HB2     5.50   # peak   1382
# 21 PHE  HA     56 VAL  HA      5.50   # peak   1179
# 21 PHE  HA     57 LYS  HA      5.50   # peak   1162
 21 PHE  HB2    51 GLY  HA2     5.50   # peak   1398
 21 PHE  HB3    50 TRP  HB3     5.50   # peak    327
 21 PHE  HB3    51 GLY  HA2     5.50   # peak   1407
# 22 GLY  QA     33 CYSS HB2     6.38   # peak    385
 23 PHE  HB2    33 CYSS HB3     5.50   # peak   1622
 23 PHE  HB2    58 CYSS HB2     5.50   # peak    422
 23 PHE  HB3    36 ARG  HD3     5.50   # peak    460
 23 PHE  HB3    60 CYSS HB3     5.50   # peak   1616
 24 CYSS HB2    58 CYSS HB3     5.50   # peak    405
# 31 THR  HA     53 GLY  HA2     5.50   # peak    113

 40 ASN  HB3    60 CYSS HB3     5.50   # peak   1536
 40 ASN  HD22   60 CYSS HB2     5.50   # peak    982
 41 LYS  HB2    62 PHE  QE      7.62   # peak   1019
# 44 LYS  HA     59 LEU  HG      5.50   # peak   1271
 44 LYS  HB3    62 PHE  HB3     5.50   # peak    395
 44 LYS  HD2    63 CYSS HB3     5.50   # peak   1972
 44 LYS  HD2    68 GLN  HB2     5.50   # peak    531
# 45 GLY  HA2    63 CYSS HB2     5.50   # peak   1378
 45 GLY  HA2    65 ASP  HB2     5.50   # peak    424

#h2o14

#d2o20
 21 PHE  HN     51 GLY  HA1     5.50   # peak     10
# 21 PHE  HN     56 VAL  HA      5.50   # peak      9
 #21 PHE  HN     57 LYS  HA      5.50   # peak      6


#d2o21

  3 GLU  HB2    14 GLU  QG      6.38   # peak   1703
  3 GLU  HB2    15 TYR  HA      5.50   # peak   1319
  3 GLU  HB3    14 GLU  QG      6.38   # peak    511
  4 ILE  HB     13 LYS  HB3     5.50   # peak   1815
  4 ILE  HB     14 GLU  QG      6.38   # peak    519
  4 ILE  QD1    12 LEU  QD1     7.56   # peak    723
  4 ILE  QD1    57 LYS  HG2     6.53   # peak    767
#  6 ALA  QB     13 LYS  QE      7.40   # peak   1614
  6 ALA  QB     57 LYS  HE2     6.53   # peak   1558
  7 GLN  HB3    10 GLU  HB2     5.50   # peak   1770
  7 GLN  HB3    10 GLU  HB3     5.50   # peak   1782
  7 GLN  HB3    10 GLU  QG      6.38   # peak    502
# 13 LYS  QE     62 PHE  HB3     6.38   # peak    378
# 14 GLU  QG     57 LYS  HB2     6.38   # peak   1705
 14 GLU  QG     61 ASP  HB3     6.38   # peak    514
 15 TYR  HA     61 ASP  HB3     5.50   # peak   1320
 15 TYR  QD     62 PHE  HZ      7.64   # peak    955
 23 PHE  HZ     52 GLN  QG      6.38   # peak   1663
# 33 CYSS HB2    36 ARG  HA      5.50   # peak    158
 33 CYSS HB2    36 ARG  HB3     5.50   # peak   1571
 33 CYSS HB2    37 CYSS HB2     5.50   # peak   1552
 33 CYSS HB3    37 CYSS HB3     5.50   # peak   1675


#h2o15
 13 LYS  HN     64 GLY  HA2     5.50   # peak    150
# 18 ASP  HN     59 LEU  HA      5.50   # peak      3
# 20 GLY  HN     57 LYS  HG2     5.50   # peak     93
 24 CYSS HN     33 CYSS HN      5.50   # peak    311
# 35 THR  HN     54 SER  QB      6.38   # peak     43
# 49 ARG  HN     56 VAL  HA      5.50   # peak      8
 47 ARG  HE     64 GLY  HA1     5.50   # peak     44

  Entry H atom name         Submitted Coord H atom name
    1    H    CYS   1           HN       CYS   1   1.884   0.000   0.829
    2    HA   CYS   1           HA       CYS   1   1.570   0.699  -1.913
    3   1HB   CYS   1          2HB       CYS   1   4.137  -0.299  -0.681
    4   2HB   CYS   1          1HB       CYS   1   3.918   0.833  -2.001
    5    HG   CYS   1           HG       CYS   1   4.308   1.313   1.034
    6    HA   PRO   2           HA       PRO   2   1.549  -3.349  -3.521
    7   1HB   PRO   2          2HB       PRO   2   2.839  -3.078  -5.915
    8   2HB   PRO   2          1HB       PRO   2   1.169  -2.607  -5.667
    9   1HG   PRO   2          2HG       PRO   2   3.565  -0.891  -5.902
   10   2HG   PRO   2          1HG       PRO   2   1.878  -0.451  -6.081
   11   1HD   PRO   2          2HD       PRO   2   3.557   0.071  -3.814
   12   2HD   PRO   2          1HD       PRO   2   1.842   0.406  -3.948
   13    H    GLU   3           HN       GLU   3   3.162  -4.947  -4.981
   14    HA   GLU   3           HA       GLU   3   5.659  -4.875  -3.508
   15   1HB   GLU   3          2HB       GLU   3   4.191  -7.503  -3.845
   16   2HB   GLU   3          1HB       GLU   3   5.499  -7.117  -2.745
   17   1HG   GLU   3          2HG       GLU   3   4.034  -5.691  -1.394
   18   2HG   GLU   3          1HG       GLU   3   2.738  -5.828  -2.565
   19    HE2  GLU   3           HE2      GLU   3   4.882  -7.931  -1.005
   20    H    ILE   4           HN       ILE   4   6.850  -4.323  -5.362
   21    HA   ILE   4           HA       ILE   4   6.385  -5.575  -7.856
   22    HB   ILE   4           HB       ILE   4   8.582  -4.484  -8.428
   23   1HG1  ILE   4          2HG1      ILE   4   8.621  -2.712  -6.146
   24   2HG1  ILE   4          1HG1      ILE   4   8.847  -4.367  -5.617
   25   1HG2  ILE   4          1HG2      ILE   4   6.384  -3.455  -8.843
   26   2HG2  ILE   4          2HG2      ILE   4   6.440  -2.709  -7.227
   27   3HG2  ILE   4          3HG2      ILE   4   7.637  -2.249  -8.461
   28   1HD1  ILE   4          1HD1      ILE   4  10.602  -2.663  -7.329
   29   2HD1  ILE   4          2HD1      ILE   4  11.038  -3.943  -6.171
   30   3HD1  ILE   4          3HD1      ILE   4  10.480  -4.374  -7.806
   31    H    GLU   5           HN       GLU   5   6.324  -7.788  -6.551
   32    HA   GLU   5           HA       GLU   5   8.795  -8.876  -5.834
   33   1HB   GLU   5          2HB       GLU   5   6.045  -9.651  -5.788
   34   2HB   GLU   5          1HB       GLU   5   6.900 -10.918  -6.644
   35   1HG   GLU   5          2HG       GLU   5   8.490 -11.181  -4.784
   36   2HG   GLU   5          1HG       GLU   5   7.804  -9.801  -3.950
   37    HE2  GLU   5           HE2      GLU   5   7.798 -12.054  -2.632
   38    H    ALA   6           HN       ALA   6  10.465  -9.132  -7.262
   39    HA   ALA   6           HA       ALA   6   9.797 -10.386  -9.831
   40   1HB   ALA   6          1HB       ALA   6  10.214  -7.943 -10.108
   41   2HB   ALA   6          2HB       ALA   6  11.819  -8.156  -9.370
   42   3HB   ALA   6          3HB       ALA   6  11.442  -8.942 -10.922
   43    H    GLN   7           HN       GLN   7  10.932 -12.235 -10.199
   44    HA   GLN   7           HA       GLN   7  12.366 -13.844  -9.950
   45   1HB   GLN   7          2HB       GLN   7  14.211 -12.692 -10.726
   46   2HB   GLN   7          1HB       GLN   7  14.076 -11.430  -9.518
   47   1HG   GLN   7          2HG       GLN   7  14.783 -14.201  -8.565
   48   2HG   GLN   7          1HG       GLN   7  16.019 -13.299  -9.421
   49   1HE2  GLN   7          1HE2      GLN   7  15.611 -14.148  -6.565
   50   2HE2  GLN   7          2HE2      GLN   7  15.845 -12.722  -5.610
   51    H    GLY   8           HN       GLY   8  11.947 -15.353  -8.400
   52   1HA   GLY   8          2HA       GLY   8  12.161 -14.521  -5.578
   53   2HA   GLY   8          1HA       GLY   8  11.165 -15.821  -6.203
   54    H    ASN   9           HN       ASN   9  13.464 -16.634  -8.107
   55    HA   ASN   9           HA       ASN   9  15.539 -17.410  -6.337
   56   1HB   ASN   9          2HB       ASN   9  13.360 -19.340  -7.135
   57   2HB   ASN   9          1HB       ASN   9  15.002 -19.952  -7.155
   58   1HD2  ASN   9          1HD2      ASN   9  12.868 -20.753  -5.442
   59   2HD2  ASN   9          2HD2      ASN   9  13.326 -20.438  -3.802
   60    H    GLU  10           HN       GLU  10  15.795 -15.865  -8.559
   61    HA   GLU  10           HA       GLU  10  16.486 -17.708 -10.708
   62   1HB   GLU  10          2HB       GLU  10  15.976 -14.702 -10.823
   63   2HB   GLU  10          1HB       GLU  10  16.376 -15.710 -12.199
   64   1HG   GLU  10          2HG       GLU  10  14.128 -16.836 -10.678
   65   2HG   GLU  10          1HG       GLU  10  13.791 -15.190 -11.178
   66    HE2  GLU  10           HE2      GLU  10  12.767 -16.942 -14.069
   67    H    CYS  11           HN       CYS  11  17.585 -14.451  -9.499
   68    HA   CYS  11           HA       CYS  11  19.588 -13.731  -8.914
   69   1HB   CYS  11          2HB       CYS  11  19.826 -16.174  -8.003
   70   2HB   CYS  11          1HB       CYS  11  20.905 -16.387  -9.367
   71    H    LEU  12           HN       LEU  12  18.435 -13.939 -11.671
   72    HA   LEU  12           HA       LEU  12  20.959 -13.662 -13.139
   73   1HB   LEU  12          2HB       LEU  12  18.551 -15.288 -13.801
   74   2HB   LEU  12          1HB       LEU  12  19.373 -14.464 -15.111
   75    HG   LEU  12           HG       LEU  12  20.111 -16.793 -14.844
   76   1HD1  LEU  12          1HD1      LEU  12  21.671 -15.344 -15.888
   77   2HD1  LEU  12          2HD1      LEU  12  22.170 -14.638 -14.332
   78   3HD1  LEU  12          3HD1      LEU  12  22.590 -16.324 -14.720
   79   1HD2  LEU  12          1HD2      LEU  12  19.944 -16.357 -12.148
   80   2HD2  LEU  12          2HD2      LEU  12  20.756 -17.740 -12.920
   81   3HD2  LEU  12          3HD2      LEU  12  21.703 -16.319 -12.418
   82    H    LYS  13           HN       LYS  13  21.060 -11.921 -14.592
   83    HA   LYS  13           HA       LYS  13  18.717 -10.150 -14.483
   84   1HB   LYS  13          2HB       LYS  13  21.366  -9.691 -13.546
   85   2HB   LYS  13          1HB       LYS  13  21.143  -8.693 -14.968
   86   1HG   LYS  13          2HG       LYS  13  19.079  -7.724 -14.029
   87   2HG   LYS  13          1HG       LYS  13  19.151  -8.812 -12.656
   88   1HD   LYS  13          2HD       LYS  13  21.540  -7.046 -13.209
   89   2HD   LYS  13          1HD       LYS  13  20.113  -6.315 -12.502
   90   1HE   LYS  13          2HE       LYS  13  20.428  -8.659 -10.994
   91   2HE   LYS  13          1HE       LYS  13  22.080  -8.149 -11.276
   92   1HZ   LYS  13          1HZ       LYS  13  19.988  -6.775  -9.775
   93   2HZ   LYS  13          2HZ       LYS  13  21.586  -6.850  -9.472
   94    H    GLU  14           HN       GLU  14  18.330  -8.845 -16.407
   95    HA   GLU  14           HA       GLU  14  19.289 -10.267 -18.749
   96   1HB   GLU  14          2HB       GLU  14  17.271  -9.785 -19.766
   97   2HB   GLU  14          1HB       GLU  14  16.747  -9.758 -18.094
   98   1HG   GLU  14          2HG       GLU  14  17.510  -7.174 -18.283
   99   2HG   GLU  14          1HG       GLU  14  17.195  -7.455 -19.984
  100    HE2  GLU  14           HE2      GLU  14  13.928  -6.609 -19.101
  101    H    TYR  15           HN       TYR  15  20.110  -9.101 -20.611
  102    HA   TYR  15           HA       TYR  15  20.342  -6.345 -20.764
  103   1HB   TYR  15          2HB       TYR  15  21.889  -7.350 -18.693
  104   2HB   TYR  15          1HB       TYR  15  23.015  -7.560 -20.019
  105    HD1  TYR  15           HD1      TYR  15  21.438  -5.184 -17.770
  106    HD2  TYR  15           HD2      TYR  15  23.792  -5.557 -21.324
  107    HE1  TYR  15           HE1      TYR  15  22.135  -2.747 -17.573
  108    HE2  TYR  15           HE2      TYR  15  24.481  -3.118 -21.114
  109    HH   TYR  15           HH       TYR  15  24.451  -1.344 -19.862
  110    H    GLY  16           HN       GLY  16  20.535  -6.087 -22.927
  111   1HA   GLY  16          2HA       GLY  16  22.192  -6.322 -24.741
  112   2HA   GLY  16          1HA       GLY  16  22.227  -8.036 -24.378
  113    H    GLY  17           HN       GLY  17  21.447  -6.613 -26.905
  114   1HA   GLY  17          2HA       GLY  17  18.769  -7.820 -27.179
  115   2HA   GLY  17          1HA       GLY  17  19.080  -6.194 -27.755
  116    H    ASP  18           HN       ASP  18  21.872  -8.244 -27.932
  117    HA   ASP  18           HA       ASP  18  21.197  -9.237 -30.534
  118   1HB   ASP  18          2HB       ASP  18  22.636  -6.776 -30.215
  119   2HB   ASP  18          1HB       ASP  18  23.810  -7.974 -30.722
  120    HD2  ASP  18           HD2      ASP  18  23.054  -8.350 -33.711
  121    H    VAL  19           HN       VAL  19  21.893 -10.260 -27.794
  122    HA   VAL  19           HA       VAL  19  24.275 -11.782 -28.557
  123    HB   VAL  19           HB       VAL  19  24.635 -11.667 -25.920
  124   1HG1  VAL  19          1HG1      VAL  19  25.783 -10.414 -28.237
  125   2HG1  VAL  19          2HG1      VAL  19  25.863  -9.286 -26.863
  126   3HG1  VAL  19          3HG1      VAL  19  26.573 -10.912 -26.722
  127   1HG2  VAL  19          1HG2      VAL  19  23.961  -9.743 -24.855
  128   2HG2  VAL  19          2HG2      VAL  19  23.827  -8.816 -26.369
  129   3HG2  VAL  19          3HG2      VAL  19  22.574 -10.005 -25.939
  130    H    GLY  20           HN       GLY  20  21.607 -12.550 -29.037
  131   1HA   GLY  20          2HA       GLY  20  20.539 -14.066 -26.870
  132   2HA   GLY  20          1HA       GLY  20  20.059 -14.122 -28.554
  133    H    PHE  21           HN       PHE  21  20.034 -16.322 -28.981
  134    HA   PHE  21           HA       PHE  21  21.842 -18.142 -27.907
  135   1HB   PHE  21          2HB       PHE  21  19.761 -18.926 -28.846
  136   2HB   PHE  21          1HB       PHE  21  19.953 -17.960 -30.296
  137    HD1  PHE  21           HD1      PHE  21  20.714 -21.121 -28.684
  138    HD2  PHE  21           HD2      PHE  21  21.481 -18.707 -32.089
  139    HE1  PHE  21           HE1      PHE  21  21.633 -23.119 -29.893
  140    HE2  PHE  21           HE2      PHE  21  22.400 -20.706 -33.298
  141    HZ   PHE  21           HZ       PHE  21  22.465 -22.888 -32.186
  142    H    GLY  22           HN       GLY  22  21.916 -16.160 -30.898
  143   1HA   GLY  22          2HA       GLY  22  23.749 -17.282 -32.477
  144   2HA   GLY  22          1HA       GLY  22  23.730 -15.564 -32.132
  145    H    PHE  23           HN       PHE  23  24.375 -15.873 -29.235
  146    HA   PHE  23           HA       PHE  23  27.224 -16.140 -29.581
  147   1HB   PHE  23          2HB       PHE  23  26.607 -14.293 -28.214
  148   2HB   PHE  23          1HB       PHE  23  25.203 -15.119 -27.569
  149    HD1  PHE  23           HD1      PHE  23  25.277 -15.700 -25.346
  150    HD2  PHE  23           HD2      PHE  23  28.924 -15.490 -27.505
  151    HE1  PHE  23           HE1      PHE  23  26.550 -16.227 -23.248
  152    HE2  PHE  23           HE2      PHE  23  30.197 -16.016 -25.407
  153    HZ   PHE  23           HZ       PHE  23  28.994 -16.378 -23.303
  154    H    CYS  24           HN       CYS  24  24.601 -17.615 -27.551
  155    HA   CYS  24           HA       CYS  24  26.353 -19.433 -26.308
  156   1HB   CYS  24          2HB       CYS  24  23.761 -18.598 -25.913
  157   2HB   CYS  24          1HB       CYS  24  23.536 -20.238 -26.488
  158    H    ALA  25           HN       ALA  25  24.792 -21.898 -26.664
  159    HA   ALA  25           HA       ALA  25  24.439 -23.592 -28.079
  160   1HB   ALA  25          1HB       ALA  25  23.800 -21.657 -29.728
  161   2HB   ALA  25          2HB       ALA  25  25.395 -21.982 -30.449
  162   3HB   ALA  25          3HB       ALA  25  24.169 -23.270 -30.383
  163    HA   PRO  26           HA       PRO  26  28.631 -24.812 -27.868
  164   1HB   PRO  26          2HB       PRO  26  28.201 -27.510 -27.774
  165   2HB   PRO  26          1HB       PRO  26  28.164 -26.483 -26.354
  166   1HG   PRO  26          2HG       PRO  26  25.905 -27.701 -27.821
  167   2HG   PRO  26          1HG       PRO  26  25.932 -27.044 -26.197
  168   1HD   PRO  26          2HD       PRO  26  24.835 -25.795 -28.534
  169   2HD   PRO  26          1HD       PRO  26  24.968 -25.092 -26.934
  170    H    ARG  27           HN       ARG  27  28.367 -23.771 -30.172
  171    HA   ARG  27           HA       ARG  27  29.316 -25.902 -31.880
  172   1HB   ARG  27          2HB       ARG  27  27.052 -25.734 -32.652
  173   2HB   ARG  27          1HB       ARG  27  27.028 -23.990 -32.482
  174   1HG   ARG  27          2HG       ARG  27  28.349 -23.647 -34.430
  175   2HG   ARG  27          1HG       ARG  27  28.979 -25.283 -34.411
  176   1HD   ARG  27          2HD       ARG  27  27.164 -24.753 -36.181
  177   2HD   ARG  27          1HD       ARG  27  26.941 -26.214 -35.239
  178    HE   ARG  27           HE       ARG  27  25.661 -24.033 -33.881
  179   1HH1  ARG  27          2HH2      ARG  27  25.266 -26.053 -36.765
  180   2HH1  ARG  27          1HH2      ARG  27  23.544 -25.869 -36.809
  181   2HH2  ARG  27          HH1       ARG  27  22.463 -24.535 -35.138
  182    H    ILE  28           HN       ILE  28  28.710 -22.349 -31.459
  183    HA   ILE  28           HA       ILE  28  31.352 -21.893 -32.655
  184    HB   ILE  28           HB       ILE  28  29.631 -21.283 -34.247
  185   1HG1  ILE  28          2HG1      ILE  28  30.226 -18.799 -34.435
  186   2HG1  ILE  28          1HG1      ILE  28  31.154 -19.009 -32.964
  187   1HG2  ILE  28          1HG2      ILE  28  27.786 -20.895 -32.678
  188   2HG2  ILE  28          2HG2      ILE  28  28.576 -19.403 -32.117
  189   3HG2  ILE  28          3HG2      ILE  28  28.002 -19.528 -33.797
  190   1HD1  ILE  28          1HD1      ILE  28  32.703 -19.360 -34.759
  191   2HD1  ILE  28          2HD1      ILE  28  32.328 -20.984 -34.136
  192   3HD1  ILE  28          3HD1      ILE  28  31.562 -20.408 -35.636
  193    H    PHE  29           HN       PHE  29  32.466 -19.951 -31.829
  194    HA   PHE  29           HA       PHE  29  31.431 -19.127 -29.214
  195   1HB   PHE  29          2HB       PHE  29  33.518 -20.901 -29.620
  196   2HB   PHE  29          1HB       PHE  29  34.400 -19.390 -29.717
  197    HD1  PHE  29           HD1      PHE  29  35.541 -19.003 -27.759
  198    HD2  PHE  29           HD2      PHE  29  31.609 -20.581 -27.531
  199    HE1  PHE  29           HE1      PHE  29  35.647 -18.905 -25.253
  200    HE2  PHE  29           HE2      PHE  29  31.714 -20.483 -25.025
  201    HZ   PHE  29           HZ       PHE  29  33.732 -19.646 -23.916
  202    HA   PRO  30           HA       PRO  30  32.615 -15.557 -31.764
  203   1HB   PRO  30          2HB       PRO  30  30.238 -14.213 -31.666
  204   2HB   PRO  30          1HB       PRO  30  30.681 -15.282 -32.983
  205   1HG   PRO  30          2HG       PRO  30  28.774 -15.754 -30.774
  206   2HG   PRO  30          1HG       PRO  30  28.917 -16.602 -32.301
  207   1HD   PRO  30          2HD       PRO  30  29.815 -17.521 -29.736
  208   2HD   PRO  30          1HD       PRO  30  30.061 -18.315 -31.279
  209    H    THR  31           HN       THR  31  31.628 -16.180 -28.646
  210    HA   THR  31           HA       THR  31  31.678 -14.986 -26.748
  211    HB   THR  31           HB       THR  31  34.016 -15.410 -26.870
  212    HG1  THR  31           HG1      THR  31  34.855 -13.278 -26.215
  213   1HG2  THR  31          1HG2      THR  31  34.189 -13.198 -28.984
  214   2HG2  THR  31          2HG2      THR  31  35.557 -14.141 -28.345
  215   3HG2  THR  31          3HG2      THR  31  34.308 -14.940 -29.331
  216    H    ILE  32           HN       ILE  32  29.744 -13.869 -28.203
  217    HA   ILE  32           HA       ILE  32  30.292 -11.066 -28.572
  218    HB   ILE  32           HB       ILE  32  27.663 -12.536 -28.729
  219   1HG1  ILE  32          2HG1      ILE  32  29.304 -13.639 -30.174
  220   2HG1  ILE  32          1HG1      ILE  32  28.071 -12.816 -31.108
  221   1HG2  ILE  32          1HG2      ILE  32  28.462 -10.043 -30.222
  222   2HG2  ILE  32          2HG2      ILE  32  26.837 -10.704 -29.919
  223   3HG2  ILE  32          3HG2      ILE  32  27.763  -9.973 -28.586
  224   1HD1  ILE  32          1HD1      ILE  32  30.922 -12.437 -31.196
  225   2HD1  ILE  32          2HD1      ILE  32  29.674 -11.635 -32.180
  226   3HD1  ILE  32          3HD1      ILE  32  30.180 -10.921 -30.630
  227    H    CYS  33           HN       CYS  33  28.265 -13.132 -26.387
  228    HA   CYS  33           HA       CYS  33  27.280 -11.052 -24.861
  229   1HB   CYS  33          2HB       CYS  33  26.463 -13.400 -24.865
  230   2HB   CYS  33          1HB       CYS  33  27.881 -13.874 -23.952
  231    H    TYR  34           HN       TYR  34  30.477 -12.413 -25.158
  232    HA   TYR  34           HA       TYR  34  31.410 -11.828 -22.547
  233   1HB   TYR  34          2HB       TYR  34  32.508 -13.440 -24.076
  234   2HB   TYR  34          1HB       TYR  34  32.612 -12.238 -25.347
  235    HD1  TYR  34           HD1      TYR  34  34.709 -11.344 -25.743
  236    HD2  TYR  34           HD2      TYR  34  33.731 -12.608 -21.775
  237    HE1  TYR  34           HE1      TYR  34  37.051 -10.732 -24.963
  238    HE2  TYR  34           HE2      TYR  34  36.075 -11.992 -21.008
  239    HH   TYR  34           HH       TYR  34  37.892 -10.791 -21.568
  240    H    THR  35           HN       THR  35  31.664 -10.128 -25.744
  241    HA   THR  35           HA       THR  35  33.024  -7.901 -24.557
  242    HB   THR  35           HB       THR  35  33.266  -8.817 -26.953
  243    HG1  THR  35           HG1      THR  35  34.066  -6.728 -26.635
  244   1HG2  THR  35          1HG2      THR  35  31.652  -7.819 -28.597
  245   2HG2  THR  35          2HG2      THR  35  30.852  -9.013 -27.546
  246   3HG2  THR  35          3HG2      THR  35  30.634  -7.272 -27.243
  247    H    ARG  36           HN       ARG  36  29.657  -8.773 -25.318
  248    HA   ARG  36           HA       ARG  36  28.729  -6.139 -25.013
  249   1HB   ARG  36          2HB       ARG  36  27.565  -8.071 -26.248
  250   2HB   ARG  36          1HB       ARG  36  27.135  -8.727 -24.680
  251   1HG   ARG  36          2HG       ARG  36  25.330  -7.360 -24.623
  252   2HG   ARG  36          1HG       ARG  36  26.399  -5.972 -24.592
  253   1HD   ARG  36          2HD       ARG  36  26.177  -7.114 -27.301
  254   2HD   ARG  36          1HD       ARG  36  24.612  -6.653 -26.662
  255    HE   ARG  36           HE       ARG  36  26.068  -4.444 -26.039
  256   1HH1  ARG  36          2HH2      ARG  36  25.902  -6.301 -29.052
  257   2HH1  ARG  36          1HH2      ARG  36  26.256  -4.936 -30.058
  258   2HH2  ARG  36          HH1       ARG  36  26.625  -2.796 -29.046
  259    H    CYS  37           HN       CYS  37  28.869  -9.083 -22.908
  260    HA   CYS  37           HA       CYS  37  27.529  -7.908 -20.744
  261   1HB   CYS  37          2HB       CYS  37  27.755 -10.333 -21.077
  262   2HB   CYS  37          1HB       CYS  37  29.479 -10.221 -20.786
  263    H    ARG  38           HN       ARG  38  30.795  -7.725 -22.053
  264    HA   ARG  38           HA       ARG  38  32.205  -7.143 -19.786
  265   1HB   ARG  38          2HB       ARG  38  33.227  -7.541 -22.023
  266   2HB   ARG  38          1HB       ARG  38  32.563  -6.031 -22.615
  267   1HG   ARG  38          2HG       ARG  38  34.020  -5.500 -20.165
  268   2HG   ARG  38          1HG       ARG  38  35.043  -6.446 -21.227
  269   1HD   ARG  38          2HD       ARG  38  34.328  -4.765 -23.103
  270   2HD   ARG  38          1HD       ARG  38  33.743  -3.754 -21.798
  271    HE   ARG  38           HE       ARG  38  36.262  -4.292 -20.922
  272   1HH1  ARG  38          2HH2      ARG  38  35.104  -3.279 -24.114
  273   2HH1  ARG  38          1HH2      ARG  38  36.571  -2.454 -24.521
  274   2HH2  ARG  38          HH1       ARG  38  38.377  -2.422 -22.946
  275    H    GLU  39           HN       GLU  39  30.195  -5.052 -21.922
  276    HA   GLU  39           HA       GLU  39  30.953  -2.612 -20.977
  277   1HB   GLU  39          2HB       GLU  39  28.285  -3.643 -22.007
  278   2HB   GLU  39          1HB       GLU  39  28.520  -1.955 -21.601
  279   1HG   GLU  39          2HG       GLU  39  30.759  -2.836 -23.220
  280   2HG   GLU  39          1HG       GLU  39  29.273  -3.313 -24.017
  281    HE2  GLU  39           HE2      GLU  39  30.377   0.413 -24.197
  282    H    ASN  40           HN       ASN  40  28.606  -4.979 -19.617
  283    HA   ASN  40           HA       ASN  40  27.690  -3.222 -17.629
  284   1HB   ASN  40          2HB       ASN  40  27.657  -6.284 -17.773
  285   2HB   ASN  40          1HB       ASN  40  26.747  -5.344 -16.608
  286   1HD2  ASN  40          1HD2      ASN  40  27.164  -6.153 -19.985
  287   2HD2  ASN  40          2HD2      ASN  40  25.612  -5.638 -20.556
  288    H    LYS  41           HN       LYS  41  30.550  -5.165 -18.112
  289    HA   LYS  41           HA       LYS  41  32.308  -5.648 -16.869
  290   1HB   LYS  41          2HB       LYS  41  31.244  -3.271 -15.346
  291   2HB   LYS  41          1HB       LYS  41  32.685  -4.115 -14.817
  292   1HG   LYS  41          2HG       LYS  41  32.380  -3.165 -17.692
  293   2HG   LYS  41          1HG       LYS  41  32.979  -2.094 -16.441
  294   1HD   LYS  41          2HD       LYS  41  34.984  -3.241 -16.210
  295   2HD   LYS  41          1HD       LYS  41  34.264  -4.799 -16.568
  296   1HE   LYS  41          2HE       LYS  41  33.972  -3.886 -19.006
  297   2HE   LYS  41          1HE       LYS  41  35.097  -2.629 -18.531
  298   1HZ   LYS  41          1HZ       LYS  41  36.086  -5.173 -17.740
  299   2HZ   LYS  41          2HZ       LYS  41  35.752  -5.193 -19.334
  300    H    GLY  42           HN       GLY  42  30.825  -4.715 -13.817
  301   1HA   GLY  42          2HA       GLY  42  31.236  -6.970 -12.432
  302   2HA   GLY  42          1HA       GLY  42  29.849  -5.931 -12.170
  303    H    ALA  43           HN       ALA  43  31.010  -8.973 -13.515
  304    HA   ALA  43           HA       ALA  43  28.529 -10.199 -13.343
  305   1HB   ALA  43          1HB       ALA  43  28.044 -10.487 -15.792
  306   2HB   ALA  43          2HB       ALA  43  27.820  -8.820 -15.211
  307   3HB   ALA  43          3HB       ALA  43  29.277  -9.251 -16.137
  308    H    LYS  44           HN       LYS  44  29.181 -12.226 -12.848
  309    HA   LYS  44           HA       LYS  44  31.779 -13.094 -13.750
  310   1HB   LYS  44          2HB       LYS  44  31.265 -13.488 -11.454
  311   2HB   LYS  44          1HB       LYS  44  29.725 -14.228 -11.841
  312   1HG   LYS  44          2HG       LYS  44  31.615 -15.859 -11.279
  313   2HG   LYS  44          1HG       LYS  44  30.767 -16.181 -12.778
  314   1HD   LYS  44          2HD       LYS  44  32.583 -14.898 -14.012
  315   2HD   LYS  44          1HD       LYS  44  33.452 -14.751 -12.498
  316   1HE   LYS  44          2HE       LYS  44  32.821 -17.503 -12.669
  317   2HE   LYS  44          1HE       LYS  44  33.253 -17.058 -14.308
  318   1HZ   LYS  44          1HZ       LYS  44  34.955 -17.263 -12.018
  319   2HZ   LYS  44          2HZ       LYS  44  35.370 -17.212 -13.592
  320    H    GLY  45           HN       GLY  45  28.398 -14.434 -13.868
  321   1HA   GLY  45          2HA       GLY  45  29.101 -15.596 -16.493
  322   2HA   GLY  45          1HA       GLY  45  28.292 -16.535 -15.255
  323    H    GLY  46           HN       GLY  46  26.366 -16.867 -16.466
  324   1HA   GLY  46          2HA       GLY  46  24.237 -15.256 -16.080
  325   2HA   GLY  46          1HA       GLY  46  24.937 -14.599 -17.546
  326    H    ARG  47           HN       ARG  47  22.805 -15.331 -18.496
  327    HA   ARG  47           HA       ARG  47  23.090 -18.114 -19.289
  328   1HB   ARG  47          2HB       ARG  47  20.593 -16.632 -18.381
  329   2HB   ARG  47          1HB       ARG  47  20.456 -18.014 -19.449
  330   1HG   ARG  47          2HG       ARG  47  22.271 -18.750 -17.342
  331   2HG   ARG  47          1HG       ARG  47  20.888 -17.984 -16.586
  332   1HD   ARG  47          2HD       ARG  47  19.402 -19.637 -17.284
  333   2HD   ARG  47          1HD       ARG  47  20.284 -19.964 -18.763
  334    HE   ARG  47           HE       ARG  47  21.938 -20.742 -16.571
  335   1HH1  ARG  47          2HH2      ARG  47  18.919 -21.740 -18.133
  336   2HH1  ARG  47          1HH2      ARG  47  19.081 -23.400 -17.666
  337   2HH2  ARG  47          HH1       ARG  47  20.989 -24.078 -16.385
  338    H    CYS  48           HN       CYS  48  21.693 -18.535 -21.390
  339    HA   CYS  48           HA       CYS  48  21.737 -16.112 -23.033
  340   1HB   CYS  48          2HB       CYS  48  22.238 -18.403 -24.659
  341   2HB   CYS  48          1HB       CYS  48  23.212 -16.964 -24.435
  342    H    ARG  49           HN       ARG  49  19.811 -15.778 -24.134
  343    HA   ARG  49           HA       ARG  49  17.818 -17.826 -23.769
  344   1HB   ARG  49          2HB       ARG  49  17.812 -14.871 -24.331
  345   2HB   ARG  49          1HB       ARG  49  16.457 -15.783 -24.968
  346   1HG   ARG  49          2HG       ARG  49  16.386 -16.832 -22.518
  347   2HG   ARG  49          1HG       ARG  49  17.290 -15.394 -22.083
  348   1HD   ARG  49          2HD       ARG  49  15.479 -14.005 -22.378
  349   2HD   ARG  49          1HD       ARG  49  14.940 -14.842 -23.820
  350    HE   ARG  49           HE       ARG  49  14.532 -16.540 -21.535
  351   1HH1  ARG  49          2HH2      ARG  49  13.214 -13.618 -23.045
  352   2HH1  ARG  49          1HH2      ARG  49  11.628 -13.845 -22.389
  353   2HH2  ARG  49          HH1       ARG  49  11.194 -15.745 -20.995
  354    H    TRP  50           HN       TRP  50  16.378 -18.443 -25.631
  355    HA   TRP  50           HA       TRP  50  17.686 -19.408 -27.781
  356   1HB   TRP  50          2HB       TRP  50  15.240 -18.898 -28.861
  357   2HB   TRP  50          1HB       TRP  50  15.649 -20.280 -27.864
  358    HD1  TRP  50           HD1      TRP  50  13.609 -17.050 -27.762
  359    HE1  TRP  50           HE1      TRP  50  12.094 -16.919 -25.605
  360    HE3  TRP  50           HE3      TRP  50  15.669 -21.073 -25.432
  361    HZ2  TRP  50           HZ2      TRP  50  11.932 -18.478 -23.220
  362    HZ3  TRP  50           HZ3      TRP  50  14.774 -21.701 -23.191
  363    HH2  TRP  50           HH2      TRP  50  12.971 -20.476 -22.086
  364    H    GLY  51           HN       GLY  51  15.294 -16.945 -28.701
  365   1HA   GLY  51          2HA       GLY  51  15.443 -15.369 -30.325
  366   2HA   GLY  51          1HA       GLY  51  16.664 -14.711 -29.254
  367    H    GLN  52           HN       GLN  52  17.601 -13.845 -31.327
  368    HA   GLN  52           HA       GLN  52  19.890 -14.832 -32.017
  369   1HB   GLN  52          2HB       GLN  52  19.334 -16.990 -32.711
  370   2HB   GLN  52          1HB       GLN  52  17.792 -16.500 -33.384
  371   1HG   GLN  52          2HG       GLN  52  18.750 -15.716 -35.387
  372   2HG   GLN  52          1HG       GLN  52  20.312 -15.416 -34.650
  373   1HE2  GLN  52          1HE2      GLN  52  21.332 -16.544 -36.310
  374   2HE2  GLN  52          2HE2      GLN  52  21.354 -18.274 -36.393
  375    H    GLY  53           HN       GLY  53  20.081 -12.558 -32.347
  376   1HA   GLY  53          2HA       GLY  53  20.515 -11.243 -34.390
  377   2HA   GLY  53          1HA       GLY  53  18.863 -11.585 -34.864
  378    H    SER  54           HN       SER  54  17.372 -11.239 -32.555
  379    HA   SER  54           HA       SER  54  18.013  -9.170 -30.925
  380   1HB   SER  54          2HB       SER  54  17.794  -8.122 -33.481
  381   2HB   SER  54          1HB       SER  54  16.177  -7.865 -32.857
  382    HG   SER  54           HG       SER  54  16.922  -6.486 -31.317
  383    H    ASN  55           HN       ASN  55  16.607 -11.649 -30.876
  384    HA   ASN  55           HA       ASN  55  13.826 -10.867 -30.713
  385   1HB   ASN  55          2HB       ASN  55  15.233 -13.296 -31.395
  386   2HB   ASN  55          1HB       ASN  55  14.292 -13.632 -29.955
  387   1HD2  ASN  55          1HD2      ASN  55  14.250 -12.802 -33.313
  388   2HD2  ASN  55          2HD2      ASN  55  12.554 -12.993 -33.610
  389    H    VAL  56           HN       VAL  56  16.332 -12.737 -28.825
  390    HA   VAL  56           HA       VAL  56  14.896 -12.018 -26.375
  391    HB   VAL  56           HB       VAL  56  16.095 -13.865 -25.360
  392   1HG1  VAL  56          1HG1      VAL  56  15.043 -14.998 -27.942
  393   2HG1  VAL  56          2HG1      VAL  56  14.822 -15.578 -26.274
  394   3HG1  VAL  56          3HG1      VAL  56  13.952 -14.130 -26.836
  395   1HG2  VAL  56          1HG2      VAL  56  17.696 -13.701 -27.829
  396   2HG2  VAL  56          2HG2      VAL  56  18.131 -14.310 -26.214
  397   3HG2  VAL  56          3HG2      VAL  56  17.249 -15.356 -27.353
  398    H    LYS  57           HN       LYS  57  16.992 -12.295 -24.532
  399    HA   LYS  57           HA       LYS  57  18.981 -10.353 -25.436
  400   1HB   LYS  57          2HB       LYS  57  18.694  -9.162 -23.230
  401   2HB   LYS  57          1HB       LYS  57  17.404  -8.934 -24.393
  402   1HG   LYS  57          2HG       LYS  57  16.732 -11.273 -22.874
  403   2HG   LYS  57          1HG       LYS  57  17.259 -10.063 -21.722
  404   1HD   LYS  57          2HD       LYS  57  15.651  -8.425 -22.643
  405   2HD   LYS  57          1HD       LYS  57  15.180  -9.551 -23.900
  406   1HE   LYS  57          2HE       LYS  57  14.867 -11.014 -21.497
  407   2HE   LYS  57          1HE       LYS  57  14.283  -9.409 -21.107
  408   1HZ   LYS  57          1HZ       LYS  57  12.975 -11.351 -22.631
  409   2HZ   LYS  57          2HZ       LYS  57  12.442  -9.852 -22.287
  410    H    CYS  58           HN       CYS  58  20.903 -10.289 -23.946
  411    HA   CYS  58           HA       CYS  58  21.465 -13.004 -23.139
  412   1HB   CYS  58          2HB       CYS  58  23.031 -11.659 -24.553
  413   2HB   CYS  58          1HB       CYS  58  23.304 -10.604 -23.181
  414    H    LEU  59           HN       LEU  59  21.759 -13.645 -20.979
  415    HA   LEU  59           HA       LEU  59  21.062 -11.608 -19.000
  416   1HB   LEU  59          2HB       LEU  59  20.808 -14.598 -19.109
  417   2HB   LEU  59          1HB       LEU  59  20.783 -13.754 -17.573
  418    HG   LEU  59           HG       LEU  59  18.955 -12.492 -19.432
  419   1HD1  LEU  59          1HD1      LEU  59  18.386 -14.343 -20.606
  420   2HD1  LEU  59          2HD1      LEU  59  18.936 -15.462 -19.335
  421   3HD1  LEU  59          3HD1      LEU  59  17.366 -14.636 -19.176
  422   1HD2  LEU  59          1HD2      LEU  59  19.183 -12.839 -16.725
  423   2HD2  LEU  59          2HD2      LEU  59  17.742 -12.224 -17.570
  424   3HD2  LEU  59          3HD2      LEU  59  17.850 -13.946 -17.130
  425    H    CYS  60           HN       CYS  60  22.478 -10.973 -17.417
  426    HA   CYS  60           HA       CYS  60  24.871 -12.565 -17.040
  427   1HB   CYS  60          2HB       CYS  60  24.824 -10.062 -18.508
  428   2HB   CYS  60          1HB       CYS  60  25.830  -9.936 -17.079
  429    H    ASP  61           HN       ASP  61  24.783 -12.920 -14.847
  430    HA   ASP  61           HA       ASP  61  24.095 -10.608 -13.215
  431   1HB   ASP  61          2HB       ASP  61  22.347 -12.585 -13.433
  432   2HB   ASP  61          1HB       ASP  61  23.445 -13.451 -12.377
  433    HD2  ASP  61           HD2      ASP  61  21.857 -10.136 -10.791
  434    H    PHE  62           HN       PHE  62  25.381 -10.426 -11.266
  435    HA   PHE  62           HA       PHE  62  27.933 -11.439 -11.344
  436   1HB   PHE  62          2HB       PHE  62  26.097 -10.469  -9.079
  437   2HB   PHE  62          1HB       PHE  62  27.807 -10.751  -8.822
  438    HD1  PHE  62           HD1      PHE  62  25.349  -8.626 -10.539
  439    HD2  PHE  62           HD2      PHE  62  29.455  -9.209  -9.641
  440    HE1  PHE  62           HE1      PHE  62  25.851  -6.295 -11.322
  441    HE2  PHE  62           HE2      PHE  62  29.957  -6.877 -10.424
  442    HZ   PHE  62           HZ       PHE  62  28.149  -5.448 -11.255
  443    H    CYS  63           HN       CYS  63  24.989 -13.040 -10.439
  444    HA   CYS  63           HA       CYS  63  25.863 -14.731  -8.449
  445   1HB   CYS  63          2HB       CYS  63  23.527 -14.349  -9.756
  446   2HB   CYS  63          1HB       CYS  63  24.025 -15.867 -10.476
  447    H    GLY  64           HN       GLY  64  25.301 -15.807 -11.873
  448   1HA   GLY  64          2HA       GLY  64  26.268 -17.657 -12.864
  449   2HA   GLY  64          1HA       GLY  64  27.574 -16.490 -12.921
  450    H    ASP  65           HN       ASP  65  29.393 -16.691 -11.524
  451    HA   ASP  65           HA       ASP  65  29.310 -18.913  -9.677
  452   1HB   ASP  65          2HB       ASP  65  30.512 -19.122 -12.220
  453   2HB   ASP  65          1HB       ASP  65  31.859 -18.780 -11.153
  454    HD2  ASP  65           HD2      ASP  65  32.457 -21.103 -11.729
  455    H    THR  66           HN       THR  66  32.203 -18.832  -9.174
  456    HA   THR  66           HA       THR  66  32.316 -16.469  -7.571
  457    HB   THR  66           HB       THR  66  34.611 -17.495  -7.031
  458    HG1  THR  66           HG1      THR  66  34.727 -18.507  -9.215
  459   1HG2  THR  66          1HG2      THR  66  33.667 -19.078  -5.628
  460   2HG2  THR  66          2HG2      THR  66  32.137 -18.346  -6.167
  461   3HG2  THR  66          3HG2      THR  66  32.739 -19.828  -6.949
  462    HA   PRO  67           HA       PRO  67  34.062 -14.045 -10.742
  463   1HB   PRO  67          2HB       PRO  67  33.817 -11.640  -9.468
  464   2HB   PRO  67          1HB       PRO  67  32.538 -12.346 -10.435
  465   1HG   PRO  67          2HG       PRO  67  32.755 -12.172  -7.492
  466   2HG   PRO  67          1HG       PRO  67  31.334 -12.475  -8.472
  467   1HD   PRO  67          2HD       PRO  67  32.833 -14.411  -6.978
  468   2HD   PRO  67          1HD       PRO  67  31.483 -14.730  -8.049
  469    H    GLN  68           HN       GLN  68  35.907 -15.558  -9.762
  470    HA   GLN  68           HA       GLN  68  37.939 -15.687  -8.967
  471   1HB   GLN  68          2HB       GLN  68  37.886 -13.845 -11.056
  472   2HB   GLN  68          1HB       GLN  68  38.807 -12.995  -9.832
  473   1HG   GLN  68          2HG       GLN  68  40.134 -15.251  -9.574
  474   2HG   GLN  68          1HG       GLN  68  39.420 -15.679 -11.116
  475   1HE2  GLN  68          1HE2      GLN  68  41.184 -15.620 -12.369
  476   2HE2  GLN  68          2HE2      GLN  68  42.132 -14.211 -12.706