*HEADER    SIGNALING PROTEIN                       07-JAN-99   1B5N              
*TITLE     NMR STRUCTURE OF PSP1, PLASMATOCYTE-SPREADING PEPTIDE FROM            
*TITLE    2 PSEUDOPLUSIA INCLUDENS                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLASMATOCYTE-SPREADING PEPTIDE;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PSP1;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED BY             
*SOURCE   4 SOLID-STATE PEPTIDE SYNTHESIS WITH T-BOC METHOD. THE                 
*SOURCE   5 SEQUENCE OF THIS PEPTIDE IS NATURALLY FOUND IN THE                   
*SOURCE   6 HEMOLYMPH TISSUE OF PSEUDOPLUSIA INCLUDENS (SOYBEAN LOOPER           
*SOURCE   7 MOTH).                                                               
*KEYWDS    INSECT CYTOKINE, PLASMATOCYTE-SPREADING, EGF-LIKE                     
*EXPDTA    NMR                                                                   
*AUTHOR    B.F.VOLKMAN, K.D.CLARK, M.E.ANDERSON, L.L.PECH, J.L.MARKLEY,          
*AUTHOR   2 M.R.STRAND                                                           
*REVDAT   3   09-JUN-00 1B5N    1       DBREF                                    
*REVDAT   2   22-DEC-99 1B5N    4       HEADER COMPND REMARK JRNL                
*REVDAT   2 2                   4       ATOM   SOURCE SEQRES                     
*REVDAT   1   13-JAN-99 1B5N    0                                                

  2 ASN  HA      3 PHE  HN      3.01                
  2 ASN  HB2     3 PHE  HN      4.13                
  2 ASN  HB3     3 PHE  HN      4.13                
  2 ASN  QB      3 PHE  HN      3.85                
  3 PHE  HN      3 PHE  HB2     3.37                
  3 PHE  HN      3 PHE  HB3     3.37                
  3 PHE  HN      3 PHE  QB      3.13                
  3 PHE  QD      4 ASN  HN      8.12                
  3 PHE  QD      4 ASN  HB2     8.12                
  3 PHE  QD      4 ASN  HB3     8.12                
  3 PHE  QD      5 GLY  HN      8.12                
  4 ASN  HN      4 ASN  HA      2.87                
  4 ASN  HN      4 ASN  HB2     3.59                
  4 ASN  HN      4 ASN  HB3     3.59                
  4 ASN  HN      4 ASN  QB      3.41                
  4 ASN  HN      4 ASN  QD2     6.87                
  4 ASN  HN      5 GLY  HN      3.34                
  4 ASN  HN      5 GLY  QA      5.15                
  4 ASN  HN      6 GLY  HN      4.42                
  4 ASN  HA      5 GLY  HN      3.26                
  4 ASN  HA      6 GLY  HN      4.49                
  4 ASN  QB      6 GLY  HN      5.47                
  4 ASN  QD2     5 GLY  QA      6.95                
  4 ASN  QD2     7 CYSS HA      6.61                
  4 ASN  QD2    10 GLY  HN      6.87                
  4 ASN  QD2    11 TYR  HN      6.69                
  5 GLY  HN      6 GLY  HN      2.94                
  5 GLY  HN      6 GLY  QA      4.72                
  5 GLY  HA1     6 GLY  HN      3.55                
  5 GLY  HA2     6 GLY  HN      3.55                
  5 GLY  QA      6 GLY  HN      3.04                
  5 GLY  QA     13 ARG  HE      6.37                
  6 GLY  HN      7 CYSS HN      2.98                
  6 GLY  HN      7 CYSS HA      4.74                
  7 CYSS HN      7 CYSS HB2     3.62                
  7 CYSS HN      7 CYSS HB3     3.62                
  7 CYSS HN      7 CYSS QB      3.39                
  7 CYSS HA      8 LEU  HN      2.80                
  7 CYSS HA     11 TYR  HB2     4.06                
  7 CYSS HA     19 CYSS QB      6.08                
  7 CYSS CB     19 CYSS CB      3.99  1.00E+01                 
  7 CYSS HB2     8 LEU  HN      3.62                
  7 CYSS HB2    11 TYR  HN      4.92                
  7 CYSS HB2    11 TYR  HB2     4.60                
  7 CYSS HB2    11 TYR  HB3     4.81                
  7 CYSS HB2    11 TYR  QD      8.14                
  7 CYSS HB2    19 CYSS HB2     6.64                
  7 CYSS HB2    19 CYSS HB3     6.64                
  7 CYSS HB3     8 LEU  HN      3.62                
  7 CYSS HB3    11 TYR  HN      4.92                
  7 CYSS HB3    11 TYR  HB2     4.60                
  7 CYSS HB3    11 TYR  HB3     4.81                
  7 CYSS HB3    11 TYR  QD      8.14                
  7 CYSS HB3    19 CYSS HB2     6.64                
  7 CYSS HB3    19 CYSS HB3     6.64                
  7 CYSS QB      8 LEU  HN      3.30                
  7 CYSS QB     11 TYR  HN      4.57                
  7 CYSS QB     11 TYR  HB2     4.01                
  7 CYSS QB     11 TYR  HB3     4.35                
  7 CYSS QB     11 TYR  QD      8.00                
  7 CYSS QB     12 MET  HN      6.88                
  7 CYSS QB     13 ARG  HN      6.88                
  7 CYSS QB     19 CYSS QB      5.27                
  7 CYSS QB     20 LYS  HN      6.88                
  7 CYSS SG     19 CYSS SG      2.10  1.00E+01                 
  8 LEU  HN      8 LEU  HB2     3.05                
  8 LEU  HN      8 LEU  HB3     3.05                
  8 LEU  HN      8 LEU  HG      4.27                
  8 LEU  HN      8 LEU  QD1     5.73                
  8 LEU  HN      8 LEU  QD2     5.73                
  8 LEU  HN      8 LEU  QQD     5.42                
  8 LEU  HN      9 ALA  HN      4.09                
  8 LEU  HN     11 TYR  HB2     3.80                
  8 LEU  HN     11 TYR  HB3     4.42                
  8 LEU  HN     11 TYR  QD      8.14                
  8 LEU  HN     19 CYSS QB      6.01                
  8 LEU  HA      8 LEU  HG      3.80                
  8 LEU  HA      8 LEU  QD1     6.27                
  8 LEU  HA      8 LEU  QD2     6.27                
  8 LEU  HB2     9 ALA  HN      3.88                
  8 LEU  HB2    11 TYR  QD      8.14                
  8 LEU  HB2    11 TYR  QE      7.81                
  8 LEU  HB3     9 ALA  HN      3.88                
  8 LEU  HB3    11 TYR  QD      8.14                
  8 LEU  HB3    11 TYR  QE      7.81                
  8 LEU  QB      8 LEU  HG      2.67                
  8 LEU  QB      9 ALA  HN      3.51                
  8 LEU  QB     11 TYR  QD      7.44                
  8 LEU  QB     11 TYR  QE      7.65                
  8 LEU  HG      9 ALA  HN      3.34                
  8 LEU  HG     11 TYR  QD      7.49                
  8 LEU  HG     11 TYR  QE      7.74                
  8 LEU  QD1     9 ALA  HN      6.13                
  8 LEU  QD1    11 TYR  QD      9.17                
  8 LEU  QD1    11 TYR  QE      9.16                
  8 LEU  QD2     9 ALA  HN      6.13                
  8 LEU  QD2    11 TYR  QD      9.17                
  8 LEU  QD2    11 TYR  QE      9.16                
  8 LEU  QQD     9 ALA  HN      5.47                
  9 ALA  HN      9 ALA  HA      2.47                
  9 ALA  HN      9 ALA  QB      3.57                
  9 ALA  HN     10 GLY  HN      4.16                
  9 ALA  HN     11 TYR  QD      8.14                
  9 ALA  HA     10 GLY  HN      3.16                
  9 ALA  HA     11 TYR  HN      4.13                
  9 ALA  QB     10 GLY  QA      7.51                
  9 ALA  QB     11 TYR  HN      6.88                
  9 ALA  QB     11 TYR  QD      9.17                
  9 ALA  QB     11 TYR  QE      9.16                
 10 GLY  HN     11 TYR  HN      3.19                
 10 GLY  HN     11 TYR  QD      8.14                
 10 GLY  QA     11 TYR  HD2     6.70                
 10 GLY  QA     22 THR  QG2     7.90                
 10 GLY  QA     23 PHE  QD      9.00                
 11 TYR  HN     11 TYR  HB2     3.34                
 11 TYR  HN     11 TYR  HB3     3.77                
 11 TYR  HN     11 TYR  QE      8.13                
 11 TYR  HN     19 CYSS QB      6.88                
 11 TYR  HN     21 PRO  HA      4.92                
 11 TYR  HN     22 THR  QG2     7.03                
 11 TYR  HA     12 MET  HN      2.90                
 11 TYR  HA     19 CYSS QB      6.44                
 11 TYR  HA     21 PRO  HA      2.94                
 11 TYR  HA     21 PRO  HB2     6.00                
 11 TYR  HA     22 THR  HN      3.23                
 11 TYR  HA     22 THR  QG2     6.42                
 11 TYR  HB2    12 MET  HN      3.95                
 11 TYR  HB2    19 CYSS HB2     4.38                
 11 TYR  HB2    19 CYSS HB3     4.38                
 11 TYR  HB2    19 CYSS QB      4.18                
 11 TYR  HB2    20 LYS  HN      6.00                
 11 TYR  HB3    19 CYSS QB      4.54                
 11 TYR  HB3    20 LYS  HN      5.78                
 11 TYR  HB3    21 PRO  HA      6.00                
 11 TYR  HB3    22 THR  HN      6.00                
 11 TYR  HB3    23 PHE  QE      8.12                
 11 TYR  QD     12 MET  HN      8.14                
 11 TYR  QD     19 CYSS HA      8.14                
 11 TYR  QD     19 CYSS HB2     6.84                
 11 TYR  QD     19 CYSS HB3     6.84                
 11 TYR  QD     19 CYSS QB      6.57                
 11 TYR  QD     20 LYS  HN      8.14                
 11 TYR  QD     20 LYS  HA      6.27                
 11 TYR  QD     21 PRO  HA      7.17                
 11 TYR  QD     21 PRO  HG2     8.14                
 11 TYR  QD     21 PRO  HG3     8.14                
 11 TYR  QD     21 PRO  HD2     8.14                
 11 TYR  QD     21 PRO  HD3     7.20                
 11 TYR  QD     22 THR  HN      8.14                
 11 TYR  QE     19 CYSS HB2     8.13                
 11 TYR  QE     19 CYSS HB3     8.13                
 11 TYR  QE     19 CYSS QB      7.96                
 11 TYR  QE     20 LYS  HA      7.77                
 11 TYR  QE     21 PRO  HA      7.63                
 11 TYR  QE     21 PRO  HG2     8.13                
 11 TYR  QE     21 PRO  HG3     8.13                
 11 TYR  QE     21 PRO  QG      7.43                
 11 TYR  QE     21 PRO  HD2     7.66                
 11 TYR  QE     21 PRO  HD3     6.37                
 11 TYR  QE     23 PHE  QE     10.25                
 12 MET  HN     12 MET  HB2     3.98                
 12 MET  HN     12 MET  HB3     3.98                
 12 MET  HN     12 MET  QB      3.76                
 12 MET  HN     12 MET  QG      4.32                
 12 MET  HN     13 ARG  HN      4.56                
 12 MET  HN     19 CYSS HA      4.31                
 12 MET  HN     19 CYSS HB2     6.00                
 12 MET  HN     19 CYSS HB3     6.00                
 12 MET  HN     19 CYSS QB      5.69                
 12 MET  HN     20 LYS  HN      3.34                
 12 MET  HN     21 PRO  HA      3.91                
 12 MET  HN     22 THR  HN      4.20                
 12 MET  HN     22 THR  QG2     5.70                
 12 MET  HA     13 ARG  HN      2.58                
 12 MET  HA     13 ARG  QG      6.88                
 12 MET  HA     20 LYS  HN      4.70                
 12 MET  HA     22 THR  QG2     7.03                
 12 MET  HB2    13 ARG  HN      3.66                
 12 MET  HB2    22 THR  QG2     5.59                
 12 MET  HB3    13 ARG  HN      3.66                
 12 MET  HB3    22 THR  QG2     5.59                
 12 MET  QB     13 ARG  HN      3.41                
 12 MET  QB     22 THR  HB      6.88                
 12 MET  QB     22 THR  QG2     5.41                
 12 MET  HG2    13 ARG  HN      5.86                
 12 MET  HG2    22 THR  HA      6.00                
 12 MET  HG2    22 THR  QG2     7.03                
 12 MET  HG3    13 ARG  HN      5.86                
 12 MET  HG3    22 THR  HA      6.00                
 12 MET  HG3    22 THR  QG2     7.03                
 12 MET  QG     13 ARG  HN      5.54                
 12 MET  QG     14 THR  QG2     7.22                
 12 MET  QG     19 CYSS HA      6.70                
 12 MET  QG     20 LYS  HN      6.59                
 12 MET  QG     22 THR  HA      5.72                
 12 MET  QG     22 THR  QG2     6.42                
 12 MET  QE     13 ARG  HN      7.03                
 12 MET  QE     14 THR  HB      6.42                
 12 MET  QE     14 THR  QG2     7.88                
 12 MET  QE     22 THR  HN      7.03                
 12 MET  QE     22 THR  HA      6.56                
 12 MET  QE     22 THR  QG2     7.95                
 13 ARG  HN     13 ARG  QB      3.82                
 13 ARG  HN     13 ARG  QG      6.26                
 13 ARG  HN     13 ARG  QD      6.01                
 13 ARG  HN     14 THR  HN      4.24                
 13 ARG  HA     13 ARG  QD      4.61                
 13 ARG  HA     14 THR  HN      2.65                
 13 ARG  HA     14 THR  QG2     6.60                
 13 ARG  HA     19 CYSS HA      3.98                
 13 ARG  HA     19 CYSS QB      6.73                
 13 ARG  HA     20 LYS  HN      3.77                
 13 ARG  QB     13 ARG  HE      4.97                
 13 ARG  QB     14 THR  HN      4.46                
 13 ARG  QB     17 GLY  HA1     5.22                
 13 ARG  QB     17 GLY  HA2     5.72                
 13 ARG  QB     19 CYSS HA      6.88                
 13 ARG  QG     14 THR  HN      6.41                
 13 ARG  QG     17 GLY  HA1     6.88                
 13 ARG  QG     17 GLY  HA2     6.88                
 13 ARG  HD2    17 GLY  HN      6.00                
 13 ARG  HD3    17 GLY  HN      6.00                
 13 ARG  QD     14 THR  HN      5.29                
 13 ARG  QD     17 GLY  HN      5.77                
 13 ARG  QD     17 GLY  HA1     5.00                
 13 ARG  QD     17 GLY  HA2     6.16                
 13 ARG  QD     19 CYSS HA      6.88                
 14 THR  HN     14 THR  HB      3.44                
 14 THR  HN     14 THR  QG2     4.36                
 14 THR  HN     17 GLY  HN      4.56                
 14 THR  HN     17 GLY  HA1     4.74                
 14 THR  HN     18 ARG  HN      3.70                
 14 THR  HN     18 ARG  QG      6.88                
 14 THR  HN     19 CYSS HA      3.84                
 14 THR  HA     15 ALA  HN      2.98                
 14 THR  HA     15 ALA  QB      5.73                
 14 THR  HB     15 ALA  HN      3.01                
 14 THR  HB     15 ALA  QB      5.52                
 14 THR  HB     16 ASP  HN      3.34                
 14 THR  HB     18 ARG  QB      6.59                
 14 THR  QG2    15 ALA  HN      5.66                
 14 THR  QG2    16 ASP  HN      6.56                
 14 THR  QG2    17 GLY  HN      7.03                
 14 THR  QG2    18 ARG  HN      6.34                
 14 THR  QG2    19 CYSS HN      7.03                
 14 THR  QG2    19 CYSS HA      6.88                
 14 THR  QG2    20 LYS  HN      5.84                
 14 THR  QG2    20 LYS  HB2     5.23                
 14 THR  QG2    20 LYS  HB3     5.23                
 14 THR  QG2    20 LYS  QB      5.05                
 14 THR  QG2    20 LYS  QD      5.74                
 14 THR  QG2    20 LYS  HE2     7.03                
 14 THR  QG2    20 LYS  HE3     7.03                
 14 THR  QG2    20 LYS  QE      6.92                
 15 ALA  HN     16 ASP  HN      3.30                
 15 ALA  HA     16 ASP  HN      3.59                
 15 ALA  HA     17 GLY  HN      3.98                
 16 ASP  HN     16 ASP  HB2     3.59                
 16 ASP  HN     16 ASP  HB3     3.59                
 16 ASP  HN     16 ASP  QB      3.35                
 16 ASP  HN     17 GLY  HA1     4.27                
 16 ASP  HN     17 GLY  HA2     4.49                
 16 ASP  HN     18 ARG  QB      5.65                
 16 ASP  HA     18 ARG  HN      4.45                
 16 ASP  HB2    17 GLY  HN      4.60                
 16 ASP  HB3    17 GLY  HN      4.60                
 17 GLY  HN     18 ARG  HN      3.19                
 17 GLY  HN     18 ARG  QB      5.18                
 17 GLY  HN     18 ARG  QG      5.94                
 18 ARG  HN     18 ARG  QB      3.58                
 18 ARG  HN     18 ARG  HG2     4.52                
 18 ARG  HN     18 ARG  HG3     4.52                
 18 ARG  HN     18 ARG  QG      4.21                
 18 ARG  HN     18 ARG  HD2     6.00                
 18 ARG  HN     18 ARG  HD3     6.00                
 18 ARG  HN     19 CYSS HN      4.34                
 18 ARG  HA     18 ARG  QD      6.88                
 18 ARG  HA     19 CYSS HN      2.72                
 18 ARG  HA     19 CYSS QB      5.18                
 18 ARG  QB     18 ARG  HE      6.05                
 18 ARG  QB     19 CYSS HN      3.89                
 18 ARG  HG2    19 CYSS HN      6.00                
 18 ARG  HG3    19 CYSS HN      6.00                
 18 ARG  QG     19 CYSS HN      5.63                
 18 ARG  QD     20 LYS  QE      6.67                
 19 CYSS HN     19 CYSS QB      3.50                
 19 CYSS HN     20 LYS  HN      4.38                
 19 CYSS HA     20 LYS  HN      2.72                
 19 CYSS QB     20 LYS  HN      4.50                
 20 LYS  HN     20 LYS  HB2     3.44                
 20 LYS  HN     20 LYS  HB3     3.44                
 20 LYS  HN     20 LYS  HG2     5.50                
 20 LYS  HN     20 LYS  HG3     5.50                
 20 LYS  HN     20 LYS  QG      5.11                
 20 LYS  HN     21 PRO  HD2     6.00                
 20 LYS  HN     21 PRO  HD3     6.00                
 20 LYS  HA     20 LYS  QD      6.12                
 20 LYS  HA     21 PRO  QG      5.79                
 20 LYS  HA     21 PRO  HD2     3.26                
 20 LYS  HA     21 PRO  HD3     3.16                
 20 LYS  HB2    21 PRO  HD2     4.52                
 20 LYS  HB3    21 PRO  HD2     4.52                
 20 LYS  QB     21 PRO  HD2     4.35                
 20 LYS  QB     21 PRO  HD3     6.16                
 20 LYS  HG2    21 PRO  HD2     5.57                
 20 LYS  HG2    21 PRO  HD3     6.00                
 20 LYS  HG3    21 PRO  HD2     5.57                
 20 LYS  HG3    21 PRO  HD3     6.00                
 20 LYS  QG     21 PRO  HD2     5.20                
 20 LYS  QG     21 PRO  HD3     5.79                
 20 LYS  QD     21 PRO  HD2     6.59                
 20 LYS  QD     21 PRO  HD3     6.88                
 20 LYS  QE     21 PRO  QG      7.21                
 21 PRO  HA     22 THR  HN      2.69                
 21 PRO  HA     22 THR  QG2     6.24                
 21 PRO  HA     23 PHE  HN      4.24                
 21 PRO  HB2    22 THR  HN      3.77                
 21 PRO  HB2    23 PHE  HN      3.91                
 21 PRO  HB3    22 THR  HN      3.70                
 21 PRO  HB3    23 PHE  HN      5.21                
 21 PRO  HB3    23 PHE  QE      8.12                
 21 PRO  QG     23 PHE  HE2     6.88                
 21 PRO  HD3    23 PHE  HZ      6.00                
 22 THR  HN     22 THR  HB      3.80                
 22 THR  HN     22 THR  QG2     4.62                
 22 THR  HN     23 PHE  HN      3.30                
 22 THR  HN     23 PHE  QD      8.12                
 22 THR  HA     23 PHE  HN      3.16                
 22 THR  HA     23 PHE  QD      8.12                
 22 THR  HB     23 PHE  HN      3.80                
 22 THR  QG2    23 PHE  HN      6.67                
 22 THR  QG2    23 PHE  QD      9.15                
 22 THR  QG2    23 PHE  QE      9.15                
 23 PHE  HN     23 PHE  HB2     3.91                
 23 PHE  HN     23 PHE  HB3     3.91                


  7 CYSS CB     19 CYSS CB      3.72  1.00E+01                 
  7 CYSS SG     19 CYSS SG      2.00  1.00E+01                 



  Entry H atom name         Submitted Coord H atom name
    1    H    GLU   1           H        GLU   1  -7.738 -13.197  -1.008
    2    HA   GLU   1           HA       GLU   1  -6.738 -12.190  -2.928
    3   1HB   GLU   1          1HB       GLU   1  -7.079 -10.157  -0.680
    4   2HB   GLU   1          2HB       GLU   1  -7.214  -9.829  -2.397
    5   1HG   GLU   1          1HG       GLU   1  -9.064 -11.699  -2.386
    6   2HG   GLU   1          2HG       GLU   1  -9.073 -11.477  -0.648
    7    H    ASN   2           H        ASN   2  -4.654 -12.378  -3.672
    8    HA   ASN   2           HA       ASN   2  -2.420 -12.121  -2.132
    9   1HB   ASN   2          1HB       ASN   2  -2.510 -11.366  -5.090
   10   2HB   ASN   2          2HB       ASN   2  -1.183 -12.113  -4.222
   11   1HD2  ASN   2          1HD2      ASN   2  -2.762 -15.357  -3.960
   12   2HD2  ASN   2          2HD2      ASN   2  -1.885 -14.198  -3.017
   13    H    PHE   3           H        PHE   3  -0.619 -10.348  -2.559
   14    HA   PHE   3           HA       PHE   3  -1.941  -7.740  -2.425
   15   1HB   PHE   3          1HB       PHE   3   0.451  -7.218  -1.427
   16   2HB   PHE   3          2HB       PHE   3  -0.642  -8.174  -0.446
   17    HD1  PHE   3           HD1      PHE   3  -0.298 -10.607  -0.219
   18    HD2  PHE   3           HD2      PHE   3   2.452  -8.176  -2.348
   19    HE1  PHE   3           HE1      PHE   3   1.417 -12.435  -0.090
   20    HE2  PHE   3           HE2      PHE   3   4.167 -10.004  -2.221
   21    HZ   PHE   3           HZ       PHE   3   3.629 -12.111  -1.093
   22    H    ASN   4           H        ASN   4  -0.910  -5.885  -3.482
   23    HA   ASN   4           HA       ASN   4   0.406  -6.760  -5.912
   24   1HB   ASN   4          1HB       ASN   4  -0.156  -4.347  -6.651
   25   2HB   ASN   4          2HB       ASN   4  -1.529  -5.403  -6.384
   26   1HD2  ASN   4          1HD2      ASN   4  -2.825  -3.743  -3.581
   27   2HD2  ASN   4          2HD2      ASN   4  -2.802  -5.185  -4.539
   28    H    GLY   5           H        GLY   5   2.127  -6.871  -3.756
   29   1HA   GLY   5          1HA       GLY   5   4.399  -5.804  -4.142
   30   2HA   GLY   5          2HA       GLY   5   3.588  -4.305  -3.732
   31    H    GLY   6           H        GLY   6   1.740  -5.643  -1.755
   32   1HA   GLY   6          1HA       GLY   6   2.365  -7.065   0.236
   33   2HA   GLY   6          2HA       GLY   6   3.719  -5.967   0.415
   34    H    CYS   7           H        CYS   7   0.302  -5.263  -0.571
   35    HA   CYS   7           HA       CYS   7   0.169  -3.497   1.764
   36   1HB   CYS   7          1HB       CYS   7  -0.926  -3.205  -1.021
   37   2HB   CYS   7          2HB       CYS   7  -1.663  -2.358   0.324
   38    H    LEU   8           H        LEU   8  -2.513  -3.054   1.996
   39    HA   LEU   8           HA       LEU   8  -3.487  -5.696   2.673
   40   1HB   LEU   8          1HB       LEU   8  -3.598  -4.052   4.387
   41   2HB   LEU   8          2HB       LEU   8  -4.383  -2.894   3.330
   42    HG   LEU   8           HG       LEU   8  -6.430  -4.147   3.329
   43   1HD1  LEU   8          1HD1      LEU   8  -4.709  -6.332   4.342
   44   2HD1  LEU   8          2HD1      LEU   8  -6.339  -6.230   5.048
   45   3HD1  LEU   8          3HD1      LEU   8  -6.141  -6.382   3.286
   46   1HD2  LEU   8          1HD2      LEU   8  -6.062  -2.654   5.229
   47   2HD2  LEU   8          2HD2      LEU   8  -7.047  -4.062   5.692
   48   3HD2  LEU   8          3HD2      LEU   8  -5.327  -3.990   6.147
   49    H    ALA   9           H        ALA   9  -4.653  -2.770   0.860
   50    HA   ALA   9           HA       ALA   9  -5.423  -3.911  -1.419
   51   1HB   ALA   9          1HB       ALA   9  -7.210  -4.774   0.790
   52   2HB   ALA   9          2HB       ALA   9  -8.037  -4.177  -0.668
   53   3HB   ALA   9          3HB       ALA   9  -6.892  -5.533  -0.789
   54    H    GLY  10           H        GLY  10  -5.024  -1.805  -2.133
   55   1HA   GLY  10          1HA       GLY  10  -6.515   0.007  -2.909
   56   2HA   GLY  10          2HA       GLY  10  -6.983   0.222  -1.234
   57    H    TYR  11           H        TYR  11  -4.373  -0.208  -0.010
   58    HA   TYR  11           HA       TYR  11  -3.378   2.372  -0.068
   59   1HB   TYR  11          1HB       TYR  11  -2.165  -0.382   0.593
   60   2HB   TYR  11          2HB       TYR  11  -1.380   1.120   1.040
   61    HD1  TYR  11           HD1      TYR  11  -2.522   2.672   2.683
   62    HD2  TYR  11           HD2      TYR  11  -3.937  -1.291   1.906
   63    HE1  TYR  11           HE1      TYR  11  -3.857   2.717   4.846
   64    HE2  TYR  11           HE2      TYR  11  -5.267  -1.232   4.072
   65    HH   TYR  11           HH       TYR  11  -6.230   0.380   5.547
   66    H    MET  12           H        MET  12  -1.287   3.206  -0.811
   67    HA   MET  12           HA       MET  12  -0.524   1.902  -3.306
   68   1HB   MET  12          1HB       MET  12   0.424   4.332  -3.739
   69   2HB   MET  12          2HB       MET  12  -1.307   4.085  -3.856
   70   1HG   MET  12          1HG       MET  12  -1.723   5.084  -1.727
   71   2HG   MET  12          2HG       MET  12  -0.064   4.882  -1.200
   72   1HE   MET  12          1HE       MET  12   0.810   7.098  -0.597
   73   2HE   MET  12          2HE       MET  12   0.278   8.627  -1.337
   74   3HE   MET  12          3HE       MET  12  -0.904   7.571  -0.529
   75    H    ARG  13           H        ARG  13   1.830   2.173  -3.952
   76    HA   ARG  13           HA       ARG  13   3.417   1.765  -1.575
   77   1HB   ARG  13          1HB       ARG  13   3.533   0.873  -4.419
   78   2HB   ARG  13          2HB       ARG  13   5.097   1.245  -3.723
   79   1HG   ARG  13          1HG       ARG  13   3.535  -0.272  -1.794
   80   2HG   ARG  13          2HG       ARG  13   3.521  -1.114  -3.331
   81   1HD   ARG  13          1HD       ARG  13   6.207  -0.184  -2.938
   82   2HD   ARG  13          2HD       ARG  13   5.692  -0.879  -1.414
   83    HE   ARG  13           HE       ARG  13   4.851  -2.800  -3.148
   84   1HH1  ARG  13          1HH1      ARG  13   7.913  -1.079  -2.932
   85   2HH1  ARG  13          2HH1      ARG  13   8.841  -2.387  -3.587
   86   1HH2  ARG  13          1HH2      ARG  13   6.075  -4.526  -4.011
   87   2HH2  ARG  13          2HH2      ARG  13   7.788  -4.360  -4.204
   88    H    THR  14           H        THR  14   4.218   3.713  -0.786
   89    HA   THR  14           HA       THR  14   4.673   5.976  -2.370
   90    HB   THR  14           HB       THR  14   5.851   6.752  -0.265
   91    HG1  THR  14           HG1      THR  14   6.483   5.122   1.119
   92   1HG2  THR  14          1HG2      THR  14   3.257   5.167   0.085
   93   2HG2  THR  14          2HG2      THR  14   3.964   6.169   1.376
   94   3HG2  THR  14          3HG2      THR  14   3.420   6.925  -0.141
   95    H    ALA  15           H        ALA  15   7.247   6.882  -1.615
   96    HA   ALA  15           HA       ALA  15   8.765   5.462  -3.624
   97   1HB   ALA  15          1HB       ALA  15   8.664   8.139  -2.437
   98   2HB   ALA  15          2HB       ALA  15  10.330   7.522  -2.562
   99   3HB   ALA  15          3HB       ALA  15   9.304   7.617  -4.014
  100    H    ASP  16           H        ASP  16   8.138   4.972  -0.396
  101    HA   ASP  16           HA       ASP  16  10.868   4.059   0.068
  102   1HB   ASP  16          1HB       ASP  16   9.066   5.615   1.686
  103   2HB   ASP  16          2HB       ASP  16   9.250   4.061   2.474
  104    H    GLY  17           H        GLY  17   7.612   3.206  -0.603
  105   1HA   GLY  17          1HA       GLY  17   6.965   1.000  -1.030
  106   2HA   GLY  17          2HA       GLY  17   8.126   0.415   0.145
  107    H    ARG  18           H        ARG  18   6.783   3.111   1.590
  108    HA   ARG  18           HA       ARG  18   5.372   1.563   3.417
  109   1HB   ARG  18          1HB       ARG  18   5.006   4.565   3.018
  110   2HB   ARG  18          2HB       ARG  18   4.864   3.663   4.514
  111   1HG   ARG  18          1HG       ARG  18   7.421   3.008   3.917
  112   2HG   ARG  18          2HG       ARG  18   7.344   4.522   3.038
  113   1HD   ARG  18          1HD       ARG  18   7.341   5.770   4.957
  114   2HD   ARG  18          2HD       ARG  18   6.154   4.741   5.733
  115    HE   ARG  18           HE       ARG  18   8.341   3.132   5.835
  116   1HH1  ARG  18          1HH1      ARG  18   7.976   6.549   6.591
  117   2HH1  ARG  18          2HH1      ARG  18   9.238   6.551   7.779
  118   1HH2  ARG  18          1HH2      ARG  18  10.005   3.133   7.401
  119   2HH2  ARG  18          2HH2      ARG  18  10.399   4.596   8.243
  120    H    CYS  19           H        CYS  19   3.438   0.550   2.948
  121    HA   CYS  19           HA       CYS  19   1.806   1.250   0.828
  122   1HB   CYS  19          1HB       CYS  19   1.254  -0.354   3.326
  123   2HB   CYS  19          2HB       CYS  19   0.090  -0.176   2.029
  124    H    LYS  20           H        LYS  20   1.205   3.454   0.788
  125    HA   LYS  20           HA       LYS  20  -0.073   4.515   3.186
  126   1HB   LYS  20          1HB       LYS  20   1.585   5.602   1.085
  127   2HB   LYS  20          2HB       LYS  20   0.068   6.476   1.151
  128   1HG   LYS  20          1HG       LYS  20   0.372   6.737   3.651
  129   2HG   LYS  20          2HG       LYS  20   1.936   5.957   3.512
  130   1HD   LYS  20          1HD       LYS  20   2.713   7.747   1.966
  131   2HD   LYS  20          2HD       LYS  20   1.138   8.514   2.040
  132   1HE   LYS  20          1HE       LYS  20   1.622   8.423   4.695
  133   2HE   LYS  20          2HE       LYS  20   3.287   8.378   4.151
  134   1HZ   LYS  20          1HZ       LYS  20   1.702  10.324   2.799
  135   2HZ   LYS  20          2HZ       LYS  20   1.820  10.594   4.405
  136   3HZ   LYS  20          3HZ       LYS  20   3.171  10.479   3.494
  137    HA   PRO  21           HA       PRO  21  -4.024   4.491   1.432
  138   1HB   PRO  21          1HB       PRO  21  -5.097   6.954   1.934
  139   2HB   PRO  21          2HB       PRO  21  -4.968   5.698   3.150
  140   1HG   PRO  21          1HG       PRO  21  -3.339   8.145   2.832
  141   2HG   PRO  21          2HG       PRO  21  -3.515   7.118   4.241
  142   1HD   PRO  21          1HD       PRO  21  -1.284   7.192   2.440
  143   2HD   PRO  21          2HD       PRO  21  -1.512   6.086   3.780
  144    H    THR  22           H        THR  22  -5.245   4.628  -0.425
  145    HA   THR  22           HA       THR  22  -4.032   6.461  -2.388
  146    HB   THR  22           HB       THR  22  -5.575   3.880  -2.933
  147    HG1  THR  22           HG1      THR  22  -3.274   3.074  -3.079
  148   1HG2  THR  22          1HG2      THR  22  -3.465   5.470  -4.487
  149   2HG2  THR  22          2HG2      THR  22  -4.146   3.907  -4.999
  150   3HG2  THR  22          3HG2      THR  22  -5.190   5.346  -4.909
  151    H    PHE  23           H        PHE  23  -6.464   6.497  -0.272
  152    HA   PHE  23           HA       PHE  23  -8.400   7.484  -2.243
  153   1HB   PHE  23          1HB       PHE  23  -9.936   7.185  -0.139
  154   2HB   PHE  23          2HB       PHE  23  -9.354   5.714  -0.892
  155    HD1  PHE  23           HD1      PHE  23  -9.015   7.933   2.009
  156    HD2  PHE  23           HD2      PHE  23  -7.760   4.290   0.230
  157    HE1  PHE  23           HE1      PHE  23  -8.030   7.203   4.200
  158    HE2  PHE  23           HE2      PHE  23  -6.775   3.560   2.420
  159    HZ   PHE  23           HZ       PHE  23  -6.922   5.024   4.379