NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
4253 1f04 cing 1-original 1 DYANA/DIANA distance NOE simple


 63 HIS
         NE2   201 HEM  FE     2.10  
         HE1   201 HEM  QM3    5.50
 39 HIS
         NE2   201 HEM  FE     2.10 
         HD1    45 VAL  QG1    5.50
         HD1    46 LEU  QD2    5.50
 201 HEM
         FE    39  HEM  NE2    1.90
         FE    63  HEM  NE2    1.90
 4 VAL  
         HN    4   VAL   HA    4.30  
         HN    4   VAL   QG2   7.00  
         HA    4   VAL   HB    3.50  
         HA    4   VAL   QG1   3.90  
         HA    4   VAL   QG2   4.00  
         HA    5   LYS+  HN    2.50  
         HB    4   VAL   QG1   4.50  
         HB    4   VAL   QG2   4.40  
         HB    5   LYS+  HN    4.10  
         HB    6   TYR   CZ    6.60  
         QG1   5   LYS+  HN    4.70  
         QG1   6   TYR   CG    8.60  
         QG1   6   TYR   CZ    7.30  
         QG2   5   LYS+  HN    4.50  
         QG2   6   TYR   HN    7.00  
         QG2   6   TYR   HA    6.00  
         QG2   6   TYR   CG    7.60  
         QG2   6   TYR   CZ    6.70  
         QG2   77  GLY   HA1   6.00  
         QG2   78  GLU-  HN    5.20  
         QG2   78  GLU-  HA    7.00  
         QG2   78  GLU-  HB2   5.40  
  5 LYS+ 
         HN    5   LYS+  HA    3.10  
         HN    5   LYS+  QB    4.20  
         HN    5   LYS+  HG2   4.80  
         HN    5   LYS+  HG3   5.20  
         HN    77  GLY   HA2   4.30  
         HN    78  GLU-  HN    5.20  
         HA    5   LYS+  QB    4.20  
         HA    5   LYS+  HG2   4.40  
         HA    5   LYS+  HG3   3.60  
         HA    6   TYR   HN    2.50  
         HA    6   TYR   HA    5.00  
         HA    6   TYR   HB2   4.40  
         QB    5   LYS+  HG2   4.60  
         QB    5   LYS+  HG3   4.90  
         QB    5   LYS+  HD2   5.10  
         QB    5   LYS+  HD3   5.10  
         QB    6   TYR   HN    5.10  
         QB    7   TYR   CG    9.00  
         QB    7   TYR   CZ    7.50  
         HG2   5   LYS+  HD3   5.90  
         HG2   6   TYR   HN    4.60  
         HG2   7   TYR   CZ    6.80  
         HG3   5   LYS+  HD2   5.60  
         HG3   6   TYR   HN    4.20  
         HG3   7   TYR   CZ    6.70  
         HD2   7   TYR   CZ    7.80  
         HD3   7   TYR   CZ    8.00  
  6 TYR  
         HN    6   TYR   HA    3.70  
         HN    6   TYR   HB2   3.50  
         HN    6   TYR   HB3   3.60  
         HN    6   TYR   CG    6.30  
         HN    78  GLU-  HN    4.90  
         HA    6   TYR   HB2   3.10  
         HA    6   TYR   HB3   3.10  
         HA    6   TYR   CG    4.50  
         HA    6   TYR   CZ    6.20  
         HA    7   TYR   HN    2.70  
         HA    29  VAL   QG2   6.70  
         HA    77  GLY   HA1   6.00  
         HA    78  GLU-  HN    3.50  
         HA    78  GLU-  HB2   4.40  
         HA    78  GLU-  HB3   5.00  
         HA    80  HIS   HN    4.80  
         HA    80  HIS   HA    4.50  
         HA    80  HIS   HB2   5.20  
         HB2   6   TYR   CG    5.60  
         HB2   6   TYR   CZ    8.00  
         HB2   7   TYR   HN    3.70  
         HB2   7   TYR   HA    5.10  
         HB2   80  HIS   HN    4.80  
         HB2   80  HIS   HA    3.90  
         HB2   80  HIS   HD2   3.70  
         HB3   6   TYR   CG    5.90  
         HB3   6   TYR   CZ    8.00  
         HB3   7   TYR   HN    3.30  
         HB3   80  HIS   HN    3.50  
         HB3   80  HIS   HA    4.70  
         HB3   80  HIS   HD2   3.60  
         CG    6   TYR   CZ    7.40  
         CG    78  GLU-  HN    6.30  
         CG    78  GLU-  HB2   5.70  
         CG    78  GLU-  HB3   5.80  
         CG    80  HIS   HN    7.00  
         CG    80  HIS   HA    6.20  
         CG    80  HIS   HB2   6.90  
         CG    81  PRO   QG    7.00  
         CZ    78  GLU-  HB2   5.60  
         CZ    78  GLU-  HB3   6.00  
         CZ    78  GLU-  QG    8.30  
         CZ    81  PRO   QG    7.30  
  7 TYR  
         HN    7   TYR   HA    3.50  
         HN    7   TYR   HB2   3.80  
         HN    7   TYR   HB3   3.30  
         HN    7   TYR   CG    6.10  
         HN    8   THR   HN    4.40  
         HN    8   THR   QG2   6.90  
         HN    29  VAL   QG1   6.20  
         HN    29  VAL   QG2   5.30  
         HN    78  GLU-  HN    4.10  
         HN    78  GLU-  HB2   6.00  
         HN    79  LEU   HA    4.00  
         HN    80  HIS   HN    4.00  
         HN    80  HIS   HB2   4.30  
         HN    80  HIS   HB3   5.30  
         HA    7   TYR   HB2   2.90  
         HA    7   TYR   HB3   3.30  
         HA    7   TYR   CG    4.70  
         HA    7   TYR   CZ    6.40  
         HA    8   THR   HN    2.60  
         HA    8   THR   QG2   4.60  
         HA    11  GLU-  HB3   3.90  
         HA    29  VAL   QG2   6.20  
         HB2   7   TYR   CG    5.70  
         HB2   7   TYR   CZ    8.00  
         HB2   8   THR   HN    4.30  
         HB2   12  ILE   HN    4.60  
         HB2   12  ILE   QG2   4.80  
         HB2   22  TRP   HZ3   4.20  
         HB2   29  VAL   QG1   7.00  
         HB2   29  VAL   QG2   5.00  
         HB3   7   TYR   CG    5.50  
         HB3   7   TYR   CZ    7.40  
         HB3   8   THR   HN    3.80  
         HB3   12  ILE   HN    3.60  
         HB3   12  ILE   QG2   6.40  
         HB3   22  TRP   HZ3   4.40  
         HB3   22  TRP   HH2   5.90  
         HB3   29  VAL   QG1   7.00  
         HB3   29  VAL   QG2   5.10  
         CG    7   TYR   CZ    7.40  
         CG    8   THR   HN    6.50  
         CG    11  GLU-  HB3   6.10  
         CG    11  GLU-  QG    7.60  
         CG    12  ILE   QG2   6.90  
         CG    22  TRP   HZ3   5.90  
         CG    22  TRP   HH2   6.60  
         CG    29  VAL   HB    6.50  
         CG    29  VAL   QG1   7.10  
         CG    29  VAL   QG2   6.50  
         CG    76  ILE   HG12  7.40  
         CG    76  ILE   HG13  8.00  
         CG    76  ILE   QD1   7.80  
         CG    77  GLY   HA1   7.20  
         CG    77  GLY   HA2   6.80  
         CG    78  GLU-  HN    6.80  
         CZ    8   THR   HN    8.00  
         CZ    11  GLU-  HB3   8.00  
         CZ    11  GLU-  QG    9.00  
         CZ    22  TRP   HZ3   7.10  
         CZ    22  TRP   HH2   5.90  
         CZ    29  VAL   QG1   7.60  
         CZ    29  VAL   QG2   8.10  
         CZ    76  ILE   HN    8.00  
         CZ    76  ILE   HB    6.70  
         CZ    76  ILE   QG2   7.70  
         CZ    76  ILE   HG12  6.70  
         CZ    76  ILE   HG13  6.50  
         CZ    76  ILE   QD1   6.60  
         CZ    77  GLY   HN    8.00  
         CZ    77  GLY   HA1   6.00  
         CZ    77  GLY   HA2   6.90  
         CZ    78  GLU-  HN    6.90  
  8 THR  
         HN    8   THR   HA    3.70  
         HN    8   THR   QG2   3.70  
         HN    9   LEU   HN    4.90  
         HN    11  GLU-  HN    4.70  
         HN    11  GLU-  HB3   3.50  
         HN    11  GLU-  QG    6.10  
         HN    79  LEU   QD1   7.00  
         HN    80  HIS   HB2   5.10  
         HN    80  HIS   HB3   5.40  
         HA    8   THR   QG2   3.80  
         HA    9   LEU   HN    2.90  
         HA    9   LEU   HA    5.00  
         HA    79  LEU   QD1   5.50  
         HA    80  HIS   HN    4.20  
         HA    80  HIS   HB2   3.90  
         HA    80  HIS   HB3   4.00  
         HB    8   THR   QG2   3.90  
         HB    9   LEU   HN    4.40  
         QG2   9   LEU   HN    5.00  
         QG2   10  GLU-  HN    5.60  
         QG2   11  GLU-  HN    6.70  
         QG2   80  HIS   HN    5.50  
         QG2   80  HIS   HB2   5.50  
         QG2   80  HIS   HB3   5.60  
         QG2   80  HIS   HD2   4.60  
  9 LEU  
         HN    9   LEU   HA    3.30  
         HN    9   LEU   HB2   3.00  
         HN    9   LEU   HB3   3.10  
         HN    9   LEU   HG    5.10  
         HN    9   LEU   QD1   5.10  
         HN    9   LEU   QD2   5.50  
         HN    10  GLU-  HN    3.20  
         HN    10  GLU-  HB2   5.00  
         HN    10  GLU-  HB3   5.50  
         HN    11  GLU-  HN    5.60  
         HN    79  LEU   QD1   4.40  
         HN    80  HIS   HN    5.10  
         HN    80  HIS   HB2   5.00  
         HN    80  HIS   HB3   5.80  
         HN    83  ASP-  HB2   4.50  
         HN    83  ASP-  HB3   4.60  
         HA    9   LEU   HB2   3.40  
         HA    9   LEU   HB3   2.70  
         HA    9   LEU   HG    3.60  
         HA    9   LEU   QD1   4.20  
         HA    9   LEU   QD2   5.50  
         HA    10  GLU-  HN    4.20  
         HA    12  ILE   HN    3.70  
         HA    12  ILE   HB    3.20  
         HA    12  ILE   QG2   5.60  
         HA    13  GLN   HN    4.20  
         HA    79  LEU   QD1   4.70  
         HB2   9   LEU   QD1   4.40  
         HB2   9   LEU   QD2   4.00  
         HB2   10  GLU-  HN    3.20  
         HB2   79  LEU   QD1   4.40  
         HB2   83  ASP-  HB2   4.90  
         HB3   9   LEU   QD1   4.40  
         HB3   9   LEU   QD2   3.70  
         HB3   10  GLU-  HN    3.30  
         HB3   79  LEU   QD1   5.80  
         HB3   83  ASP-  HB2   3.90  
         HG    9   LEU   QD1   3.60  
         HG    9   LEU   QD2   3.50  
         HG    10  GLU-  HN    5.40  
         HG    13  GLN   QG    5.70  
         HG    79  LEU   QD1   4.10  
         QD2   10  GLU-  HN    4.90  
 10 GLU- 
         HN    10  GLU-  HA    2.90  
         HN    10  GLU-  HB2   3.00  
         HN    10  GLU-  HB3   3.10  
         HN    10  GLU-  HG2   4.90  
         HN    10  GLU-  HG3   4.70  
         HN    11  GLU-  HN    3.30  
         HN    12  ILE   HN    4.30  
         HA    10  GLU-  HB2   2.80  
         HA    10  GLU-  HB3   3.00  
         HA    10  GLU-  HG2   4.40  
         HA    10  GLU-  HG3   3.30  
         HA    11  GLU-  HN    3.60  
         HA    13  GLN   HN    3.70  
         HA    13  GLN   QG    5.30  
         HB2   10  GLU-  HG2   3.00  
         HB2   10  GLU-  HG3   4.00  
         HB2   11  GLU-  HN    3.50  
         HB3   10  GLU-  HG2   3.20  
         HB3   10  GLU-  HG3   3.90  
         HB3   11  GLU-  HN    3.10  
         HG2   11  GLU-  HN    4.80  
         HG2   11  GLU-  HA    5.20  
         HG3   11  GLU-  HN    3.70  
 11 GLU- 
         HN    11  GLU-  HA    3.10  
         HN    11  GLU-  HB2   3.40  
         HN    11  GLU-  HB3   3.30  
         HN    11  GLU-  QG    5.80  
         HN    12  ILE   HN    3.00  
         HN    12  ILE   HB    5.60  
         HN    13  GLN   HN    5.20  
         HA    11  GLU-  HB2   3.00  
         HA    11  GLU-  HB3   3.00  
         HA    11  GLU-  QG    6.40  
         HA    12  ILE   HN    3.90  
         HA    13  GLN   HN    4.70  
         HA    14  LYS+  HN    4.20  
         HA    14  LYS+  HB3   4.00  
         HA    14  LYS+  QG    5.10  
         HA    14  LYS+  QE    5.70  
         HB2   11  GLU-  QG    4.20  
         HB2   12  ILE   HN    3.40  
         HB2   22  TRP   HZ3   5.50  
         HB3   11  GLU-  QG    3.70  
         HB3   12  ILE   HN    3.40  
         HB3   12  ILE   HA    3.90  
         HB3   22  TRP   HE3   4.80  
         HB3   22  TRP   HZ3   4.60  
         QG    12  ILE   HN    5.60  
         QG    22  TRP   HZ3   5.70  
         QG    22  TRP   HH2   6.60  
 12 ILE  
         HN    12  ILE   HA    3.20  
         HN    12  ILE   HB    2.80  
         HN    12  ILE   QG2   5.00  
         HN    13  GLN   HN    2.90  
         HN    13  GLN   QG    6.70  
         HN    14  LYS+  HN    6.00  
         HN    22  TRP   HE3   5.00  
         HN    22  TRP   HZ3   5.00  
         HA    12  ILE   HB    3.10  
         HA    12  ILE   QG2   3.50  
         HA    13  GLN   HN    3.70  
         HA    14  LYS+  HN    4.80  
         HA    15  HIS   HN    4.00  
         HA    15  HIS   HB2   4.70  
         HA    15  HIS   HB3   5.40  
         HA    15  HIS   HD2   4.00  
         HA    22  TRP   HE3   2.90  
         HA    22  TRP   HZ3   3.80  
         HA    29  VAL   QG1   7.00  
         HB    12  ILE   QG2   3.50  
         HB    13  GLN   HN    3.20  
         HB    13  GLN   QG    5.30  
         QG2   13  GLN   HN    4.70  
         QG2   13  GLN   QG    8.00  
         QG2   14  LYS+  HN    7.00  
         QG2   22  TRP   HN    6.60  
         QG2   22  TRP   HA    5.70  
         QG2   22  TRP   HB2   5.70  
         QG2   22  TRP   HB3   4.70  
         QG2   22  TRP   HE3   3.80  
         QG2   22  TRP   HZ3   6.70  
         QG2   23  LEU   HN    4.60  
         QG2   24  ILE   HG13  3.70  
         QG2   29  VAL   HA    5.10  
         QG2   29  VAL   QG1   5.40  
         QG2   29  VAL   QG2   5.50  
         QG2   51  GLY   HN    4.80  
         QG2   51  GLY   HA1   4.30  
         QG2   51  GLY   HA2   5.60  
         QG2   52  GLY   HN    5.90  
         QG2   52  GLY   HA2   5.90  
 13 GLN  
         HN    13  GLN   HA    3.10  
         HN    13  GLN   HB2   2.90  
         HN    13  GLN   HB3   3.40  
         HN    13  GLN   QG    4.40  
         HN    14  LYS+  HN    3.40  
         HN    14  LYS+  QG    5.70  
         HN    15  HIS   HN    5.40  
         HA    13  GLN   HB2   3.20  
         HA    13  GLN   HB3   2.90  
         HA    13  GLN   QG    4.10  
         HA    14  LYS+  HN    4.20  
         HA    15  HIS   HN    3.90  
         HA    51  GLY   HN    5.10  
         HA    51  GLY   HA1   3.40  
         HA    51  GLY   HA2   4.00  
         HB2   13  GLN   QG    4.30  
         HB2   14  LYS+  HN    3.80  
         HB3   13  GLN   QG    4.30  
         HB3   14  LYS+  HN    3.80  
         HB3   14  LYS+  HA    4.80  
         HB3   14  LYS+  QG    4.90  
         QG    14  LYS+  HN    6.50  
         QG    51  GLY   HA1   6.20  
         QG    51  GLY   HA2   5.80  
 14 LYS+ 
         HN    14  LYS+  HA    3.10  
         HN    14  LYS+  HB2   2.90  
         HN    14  LYS+  HB3   3.60  
         HN    14  LYS+  QG    4.20  
         HN    14  LYS+  QE    6.90  
         HN    15  HIS   HN    2.80  
         HA    14  LYS+  HB2   2.90  
         HA    14  LYS+  HB3   3.10  
         HA    14  LYS+  QG    3.80  
         HA    15  HIS   HN    3.50  
         HB2   14  LYS+  QG    3.60  
         HB2   14  LYS+  QE    6.50  
         HB2   15  HIS   HN    3.90  
         HB3   14  LYS+  QG    4.10  
         HB3   14  LYS+  QE    5.00  
         HB3   15  HIS   HN    4.40  
         QG    14  LYS+  QE    5.60  
         QG    15  HIS   HN    5.10  
 15 HIS  
         HN    15  HIS   HA    3.40  
         HN    15  HIS   HB2   3.20  
         HN    15  HIS   HB3   4.00  
         HN    15  HIS   HD2   3.60  
         HN    16  ASN   HN    4.20  
         HN    16  ASN   HD22  5.20  
         HN    22  TRP   HN    5.60  
         HA    15  HIS   HB2   3.30  
         HA    15  HIS   HB3   3.00  
         HA    15  HIS   HD2   3.70  
         HA    15  HIS   HE1   6.00  
         HA    16  ASN   HN    3.10  
         HA    22  TRP   HN    5.90  
         HB2   15  HIS   HD2   4.20  
         HB2   22  TRP   HN    4.30  
         HB2   22  TRP   HB2   4.50  
         HB2   22  TRP   HB3   4.70  
         HB2   22  TRP   HD1   4.40  
         HB2   22  TRP   HE3   6.00  
         HB3   15  HIS   HD2   4.10  
         HB3   15  HIS   HE1   5.40  
         HB3   16  ASN   HN    4.30  
         HB3   21  THR   HA    5.50  
         HB3   22  TRP   HN    4.20  
         HB3   22  TRP   HB2   4.50  
         HD2   15  HIS   HE1   4.50  
         HD2   22  TRP   HE3   5.10  
         HE1   22  TRP   HZ2   4.10  
         HE1   22  TRP   HH2   6.00  
 16 ASN  
         HN    16  ASN   HB2   4.60  
         HN    16  ASN   HB3   4.00  
         HN    17  ASN   HN    3.00  
         HN    17  ASN   HA    5.50  
         HA    50  ALA   QB    5.50  
         HA    51  GLY   HN    5.40  
         HB2   16  ASN   HD21  4.20  
         HB2   16  ASN   HD22  4.50  
         HB2   50  ALA   QB    5.20  
         HB2   51  GLY   HA1   5.60  
         HB2   51  GLY   HA2   5.10  
         HB3   16  ASN   HD21  4.10  
         HB3   16  ASN   HD22  4.50  
         HB3   50  ALA   QB    4.60  
         HB3   51  GLY   HA1   5.60  
         HB3   51  GLY   HA2   5.10  
 17 ASN  
         HN    17  ASN   HA    3.50  
         HN    17  ASN   HB2   5.20  
         HN    17  ASN   HB3   3.60  
         HN    20  SER   HN    5.70  
         HN    21  THR   HA    5.80  
         HN    21  THR   QG2   7.00  
         HA    17  ASN   HB2   3.00  
         HA    17  ASN   HB3   2.90  
         HB2   17  ASN   HD22  4.60  
         HB3   17  ASN   HD22  4.10  
 18 SER  
         HN    18  SER   HA    4.90  
         HN    18  SER   QB    4.80  
         HA    18  SER   QB    4.20  
 19 LYS+ 
         HN    19  LYS+  HA    3.20  
         HN    19  LYS+  HB2   3.70  
         HN    19  LYS+  HB3   3.40  
         HN    19  LYS+  HG2   4.70  
         HN    19  LYS+  HG3   4.70  
         HN    19  LYS+  QD    7.00  
         HN    20  SER   HN    3.20  
         HA    19  LYS+  HB2   3.20  
         HA    19  LYS+  HB3   3.20  
         HA    19  LYS+  HG2   3.80  
         HA    19  LYS+  HG3   3.20  
         HA    19  LYS+  QD    5.20  
         HA    20  SER   HN    4.30  
         HB2   19  LYS+  HG2   3.40  
         HB2   19  LYS+  HG3   3.10  
         HB2   19  LYS+  QD    4.80  
         HB2   20  SER   HN    4.00  
         HB3   19  LYS+  HG2   2.70  
         HB3   19  LYS+  QE    4.80  
         HB3   20  SER   HN    4.00  
         HG2   19  LYS+  QD    4.90  
         HG3   19  LYS+  QD    5.10  
         QD    19  LYS+  QE    6.80  
 20 SER  
         HN    20  SER   HA    5.00  
         HN    20  SER   HB2   3.70  
         HN    20  SER   HB3   3.80  
         HN    21  THR   HN    4.70  
         HN    33  THR   QG2   6.60  
         HA    20  SER   HB2   3.40  
         HA    20  SER   HB3   4.10  
         HA    21  THR   HN    3.00  
         HA    33  THR   HA    5.00  
         HA    33  THR   QG2   4.10  
         HB2   21  THR   HN    5.20  
         HB3   21  THR   HN    5.30  
 21 THR  
         HN    21  THR   HA    3.80  
         HN    21  THR   HB    3.20  
         HN    21  THR   QG2   4.60  
         HN    22  TRP   HN    4.30  
         HN    22  TRP   HD1   4.40  
         HN    33  THR   HN    5.00  
         HN    33  THR   HA    3.70  
         HN    33  THR   HB    5.70  
         HN    33  THR   QG2   4.30  
         HN    36  LEU   QD1   5.90  
         HN    36  LEU   QD2   6.20  
         HA    21  THR   HB    3.70  
         HA    21  THR   QG2   3.70  
         HA    22  TRP   HN    2.80  
         HA    22  TRP   HA    4.50  
         HA    50  ALA   QB    5.20  
         HB    21  THR   QG2   3.50  
         HB    22  TRP   HN    4.70  
         HB    32  LEU   HN    6.00  
         HB    32  LEU   HB3   5.60  
         HB    32  LEU   QD2   7.00  
         HB    33  THR   HN    5.10  
         HB    36  LEU   HG    4.60  
         HB    36  LEU   QD1   4.30  
         HB    36  LEU   QD2   4.40  
         HB    50  ALA   QB    4.90  
         QG2   22  TRP   HN    4.80  
         QG2   22  TRP   HA    5.70  
         QG2   23  LEU   QD2   6.20  
         QG2   32  LEU   HN    5.30  
         QG2   32  LEU   HB2   5.10  
         QG2   32  LEU   QD2   5.50  
         QG2   33  THR   HN    6.10  
         QG2   33  THR   HA    5.50  
         QG2   36  LEU   QD2   4.50  
         QG2   50  ALA   HA    4.50  
         QG2   50  ALA   QB    4.60  
         QG2   51  GLY   HN    5.50  
 22 TRP  
         HN    22  TRP   HA    3.60  
         HN    22  TRP   HB2   3.40  
         HN    22  TRP   HB3   3.60  
         HN    22  TRP   HD1   4.70  
         HN    22  TRP   HE3   5.70  
         HN    23  LEU   HN    6.00  
         HN    50  ALA   HA    4.80  
         HN    50  ALA   QB    5.20  
         HN    51  GLY   HN    4.80  
         HN    51  GLY   HA1   5.20  
         HA    22  TRP   HB2   3.30  
         HA    22  TRP   HB3   3.10  
         HA    22  TRP   HD1   3.70  
         HA    22  TRP   HE3   6.00  
         HA    22  TRP   HE1   4.90  
         HA    23  LEU   HN    2.60  
         HA    23  LEU   HB3   4.40  
         HA    23  LEU   QD1   6.40  
         HA    23  LEU   QD2   7.00  
         HA    29  VAL   QG1   5.30  
         HA    30  TYR   HN    5.20  
         HA    31  ASP-  HA    3.40  
         HA    31  ASP-  HB2   5.70  
         HA    32  LEU   HN    3.60  
         HA    32  LEU   HG    6.00  
         HA    32  LEU   QD1   6.80  
         HA    76  ILE   QD1   7.00  
         HB2   22  TRP   HE3   4.40  
         HB2   22  TRP   HZ3   6.00  
         HB2   23  LEU   HN    3.60  
         HB2   29  VAL   QG1   6.10  
         HB2   76  ILE   QD1   5.80  
         HB3   22  TRP   HD1   4.70  
         HB3   22  TRP   HE3   4.20  
         HB3   22  TRP   HZ3   5.60  
         HB3   23  LEU   HN    2.90  
         HB3   29  VAL   QG1   5.20  
         HB3   31  ASP-  HA    4.80  
         HB3   51  GLY   HN    5.00  
         HD1   22  TRP   HE3   4.40  
         HD1   22  TRP   HE1   2.90  
         HD1   23  LEU   HN    5.00  
         HD1   29  VAL   QG1   7.00  
         HD1   31  ASP-  HA    3.50  
         HD1   31  ASP-  HB2   4.00  
         HD1   31  ASP-  HB3   6.00  
         HD1   32  LEU   HN    4.30  
         HD1   76  ILE   QD1   5.80  
         HE3   22  TRP   HE1   5.90  
         HE3   22  TRP   HZ3   3.40  
         HE3   22  TRP   HH2   6.00  
         HE3   76  ILE   QD1   5.80  
         HE1   22  TRP   HZ2   3.50  
         HE1   22  TRP   HH2   5.50  
         HE1   31  ASP-  HA    4.40  
         HE1   31  ASP-  HB2   3.70  
         HE1   31  ASP-  HB3   4.40  
         HE1   76  ILE   QD1   4.40  
         HZ3   22  TRP   HZ2   4.10  
         HZ3   22  TRP   HH2   3.10  
         HZ3   29  VAL   QG1   5.10  
         HZ3   29  VAL   QG2   5.80  
         HZ3   76  ILE   QD1   5.30  
         HZ2   22  TRP   HH2   3.00  
         HZ2   76  ILE   QG2   7.00  
         HZ2   76  ILE   QD1   4.30  
         HH2   29  VAL   QG1   7.00  
         HH2   76  ILE   QG2   7.00  
         HH2   76  ILE   QD1   4.60  
 23 LEU  
         HN    23  LEU   HA    3.50  
         HN    23  LEU   HB2   4.20  
         HN    23  LEU   HB3   3.90  
         HN    23  LEU   HG    4.20  
         HN    23  LEU   QD1   4.40  
         HN    23  LEU   QD2   5.50  
         HN    24  ILE   HN    4.60  
         HN    24  ILE   HA    4.70  
         HN    29  VAL   HA    5.60  
         HN    29  VAL   QG1   5.10  
         HN    29  VAL   QG2   6.90  
         HN    30  TYR   HN    3.50  
         HN    30  TYR   CG    6.90  
         HN    31  ASP-  HA    4.90  
         HN    32  LEU   QD1   5.90  
         HA    23  LEU   HB2   3.10  
         HA    23  LEU   HB3   3.00  
         HA    23  LEU   HG    3.60  
         HA    23  LEU   QD1   5.40  
         HA    23  LEU   QD2   4.90  
         HA    24  ILE   HN    2.80  
         HA    51  GLY   HN    4.10  
         HA    52  GLY   HN    4.60  
         HB2   23  LEU   HG    3.40  
         HB2   23  LEU   QD1   5.00  
         HB2   23  LEU   QD2   4.50  
         HB2   24  ILE   HN    3.10  
         HB2   50  ALA   HA    4.30  
         HB2   51  GLY   HN    4.50  
         HB2   52  GLY   HN    5.00  
         HB2   54  ALA   QB    5.10  
         HB3   23  LEU   QD1   4.30  
         HB3   23  LEU   QD2   4.30  
         HB3   24  ILE   HN    3.60  
         HB3   50  ALA   HA    4.70  
         HB3   51  GLY   HN    4.70  
         HB3   52  GLY   HN    4.00  
         HG    23  LEU   QD1   3.60  
         HG    23  LEU   QD2   4.00  
         HG    50  ALA   HA    5.30  
         HG    51  GLY   HN    4.60  
         HG    54  ALA   QB    5.80  
         QD1   24  ILE   HN    5.20  
         QD1   24  ILE   HA    7.00  
         QD1   25  LEU   HB3   6.40  
         QD1   25  LEU   HG    4.80  
         QD1   25  LEU   QD1   5.80  
         QD1   25  LEU   QD2   5.70  
         QD1   30  TYR   HN    4.90  
         QD1   30  TYR   HB2   5.10  
         QD1   30  TYR   HB3   5.60  
         QD1   30  TYR   CG    7.10  
         QD1   30  TYR   CZ    9.00  
         QD1   46  LEU   HA    7.00  
         QD1   50  ALA   HA    5.60  
         QD1   51  GLY   HN    6.40  
         QD1   52  GLY   HN    6.40  
         QD1   54  ALA   HN    6.10  
         QD1   54  ALA   QB    5.00  
         QD1   201 HEM   QM3   4.30  
         QD2   24  ILE   HN    5.30  
         QD2   25  LEU   HG    7.00  
         QD2   25  LEU   QD1   6.00  
         QD2   25  LEU   QD2   8.00  
         QD2   30  TYR   HN    6.50  
         QD2   30  TYR   HB3   6.20  
         QD2   32  LEU   QD1   6.80  
         QD2   46  LEU   HA    5.70  
         QD2   49  GLN   HN    5.80  
         QD2   49  GLN   HA    7.00  
         QD2   49  GLN   HB2   7.00  
         QD2   49  GLN   HB3   5.10  
         QD2   49  GLN   HG3   6.50  
         QD2   50  ALA   HN    6.50  
         QD2   50  ALA   HA    4.80  
         QD2   50  ALA   QB    8.00  
         QD2   51  GLY   HN    5.30  
         QD2   54  ALA   HN    6.60  
         QD2   54  ALA   QB    5.10  
         QD2   201 HEM   QM3   3.50  
 24 ILE  
         HN    24  ILE   HA    4.10  
         HN    24  ILE   HB    3.30  
         HN    24  ILE   QG2   4.70  
         HN    24  ILE   HG12  4.40  
         HN    24  ILE   HG13  3.90  
         HN    25  LEU   HN    4.30  
         HN    25  LEU   QD1   6.20  
         HN    52  GLY   HN    4.70  
         HN    54  ALA   HN    4.60  
         HN    54  ALA   QB    5.30  
         HA    24  ILE   HB    4.00  
         HA    24  ILE   QG2   4.00  
         HA    24  ILE   HG12  4.00  
         HA    24  ILE   HG13  4.10  
         HA    25  LEU   HN    2.80  
         HA    25  LEU   QD1   7.00  
         HA    25  LEU   QD2   7.00  
         HA    29  VAL   HA    3.60  
         HA    29  VAL   QG1   6.50  
         HA    29  VAL   QG2   4.50  
         HA    30  TYR   HN    4.40  
         HA    30  TYR   CG    7.20  
         HA    30  TYR   CZ    7.60  
         HB    24  ILE   QG2   3.60  
         HB    24  ILE   HG12  3.60  
         HB    24  ILE   HG13  3.70  
         HB    25  LEU   HN    5.00  
         HB    53  ASP-  HN    4.90  
         HB    53  ASP-  HA    5.40  
         QG2   24  ILE   HG12  4.30  
         QG2   25  LEU   HN    4.00  
         QG2   25  LEU   HA    5.40  
         QG2   26  HIS   HN    5.10  
         QG2   26  HIS   HA    5.20  
         QG2   27  TYR   HN    3.90  
         QG2   27  TYR   HA    4.00  
         QG2   27  TYR   HB2   5.80  
         QG2   27  TYR   CG    7.20  
         QG2   28  LYS+  HN    4.20  
         QG2   29  VAL   HA    6.00  
         QG2   30  TYR   CG    8.80  
         QG2   30  TYR   CZ    9.00  
         QG2   79  LEU   HN    5.70  
         QG2   79  LEU   QD1   5.10  
         QG2   79  LEU   QD2   5.20  
         HG12  29  VAL   HN    4.50  
         HG12  29  VAL   QG1   4.80  
         HG12  79  LEU   QD1   3.50  
         HG13  25  LEU   HN    4.70  
         HG13  29  VAL   HA    6.00  
         HG13  29  VAL   QG1   5.00  
         HG13  54  ALA   HN    5.30  
         HG13  79  LEU   QD1   5.20  
         HG13  79  LEU   QD2   6.20  
 25 LEU  
         HN    25  LEU   HA    3.70  
         HN    25  LEU   HB2   3.40  
         HN    25  LEU   HB3   3.60  
         HN    25  LEU   HG    4.70  
         HN    25  LEU   QD1   5.20  
         HN    25  LEU   QD2   5.10  
         HN    26  HIS   HN    4.20  
         HN    27  TYR   HN    4.50  
         HN    28  LYS+  HN    3.80  
         HN    28  LYS+  QB    5.40  
         HN    29  VAL   HA    4.40  
         HN    30  TYR   HN    4.80  
         HN    30  TYR   CG    6.00  
         HN    30  TYR   CZ    5.80  
         HA    25  LEU   HB2   3.50  
         HA    25  LEU   HB3   3.40  
         HA    25  LEU   HG    3.90  
         HA    25  LEU   QD1   3.70  
         HA    25  LEU   QD2   4.90  
         HA    26  HIS   HN    2.90  
         HA    30  TYR   CZ    7.20  
         HA    54  ALA   HN    4.40  
         HA    55  THR   HN    4.60  
         HA    55  THR   HA    3.70  
         HA    55  THR   QG2   5.20  
         HB2   25  LEU   HG    4.00  
         HB2   25  LEU   QD1   4.70  
         HB2   25  LEU   QD2   4.00  
         HB2   26  HIS   HN    4.90  
         HB2   26  HIS   HD2   4.40  
         HB2   30  TYR   CG    6.20  
         HB2   30  TYR   CZ    5.50  
         HB2   55  THR   QG2   6.00  
         HB3   25  LEU   HG    3.20  
         HB3   25  LEU   QD1   3.50  
         HB3   25  LEU   QD2   4.20  
         HB3   26  HIS   HN    4.50  
         HB3   26  HIS   HD2   3.90  
         HB3   30  TYR   CG    6.60  
         HB3   30  TYR   CZ    5.70  
         HB3   55  THR   QG2   5.00  
         HG    25  LEU   QD1   3.50  
         HG    25  LEU   QD2   3.50  
         HG    26  HIS   HN    5.90  
         HG    30  TYR   CG    6.30  
         HG    30  TYR   CZ    6.20  
         HG    54  ALA   HN    6.00  
         QD1   26  HIS   HN    5.10  
         QD1   26  HIS   QB    8.00  
         QD1   26  HIS   HD2   6.20  
         QD1   30  TYR   CG    9.00  
         QD1   30  TYR   CZ    7.70  
         QD1   54  ALA   HN    4.60  
         QD1   54  ALA   HA    6.70  
         QD1   54  ALA   QB    4.90  
         QD1   55  THR   HN    5.80  
         QD1   55  THR   HA    3.90  
         QD1   55  THR   QG2   6.30  
         QD1   56  ALA   HN    7.00  
         QD1   57  ASN   HN    7.00  
         QD1   58  PHE   HN    4.90  
         QD1   59  GLU-  HN    6.00  
         QD1   201 HEM   QM3   4.10  
         QD2   26  HIS   HD2   6.00  
         QD2   30  TYR   CG    7.20  
         QD2   30  TYR   CZ    6.60  
         QD2   55  THR   HA    7.00  
         QD2   71  SER   QB    8.00  
         QD2   201 HEM   HV2A  3.80  
         QD2   201 HEM   HV2T  3.80  
         QD2   201 HEM   HV2C  3.70  
         QD2   201 HEM   QM3   4.20  
 26 HIS  
         HN    26  HIS   HA    2.70  
         HN    26  HIS   QB    4.40  
         HN    26  HIS   HD2   5.60  
         HN    27  TYR   HN    3.50  
         HN    28  LYS+  HN    4.90  
         HN    55  THR   HN    4.80  
         HN    55  THR   HA    3.90  
         HN    55  THR   HB    4.70  
         HN    55  THR   QG2   4.00  
         HA    26  HIS   QB    3.80  
         HA    26  HIS   HD2   4.30  
         HA    27  TYR   HN    2.80  
         HA    27  TYR   CG    5.40  
         HA    28  LYS+  HN    4.60  
         HA    55  THR   QG2   4.70  
         QB    26  HIS   HD2   5.10  
         QB    27  TYR   HN    4.70  
         QB    27  TYR   CG    9.00  
         QB    28  LYS+  HN    6.20  
         QB    55  THR   QG2   6.20  
         HD2   26  HIS   HE1   5.60  
         HD2   55  THR   QG2   5.10  
         HE1   55  THR   QG2   3.80  
 27 TYR  
         HN    27  TYR   HA    2.50  
         HN    27  TYR   HB2   3.80  
         HN    27  TYR   HB3   4.00  
         HN    27  TYR   CG    6.20  
         HN    28  LYS+  HN    3.30  
         HN    55  THR   QG2   6.70  
         HN    79  LEU   QD2   6.30  
         HA    27  TYR   HB2   3.10  
         HA    27  TYR   HB3   3.20  
         HA    27  TYR   CG    4.70  
         HA    27  TYR   CZ    6.60  
         HA    28  LYS+  HN    3.80  
         HA    79  LEU   HN    5.20  
         HA    79  LEU   QD1   6.20  
         HB2   27  TYR   CG    5.40  
         HB2   27  TYR   CZ    7.10  
         HB2   28  LYS+  HN    4.30  
         HB2   79  LEU   HN    5.40  
         HB2   79  LEU   QB    6.10  
         HB2   79  LEU   QD2   6.00  
         HB3   27  TYR   CG    5.80  
         HB3   27  TYR   CZ    7.90  
         HB3   28  LYS+  HN    4.60  
         HB3   79  LEU   HN    4.40  
         HB3   79  LEU   QB    5.60  
         HB3   79  LEU   QD1   5.80  
         HB3   79  LEU   QD2   5.70  
         CG    27  TYR   CZ    7.50  
         CG    28  LYS+  QB    9.00  
         CG    79  LEU   HN    8.00  
         CG    79  LEU   QB    8.30  
         CG    79  LEU   QD1   7.00  
         CG    79  LEU   QD2   5.90  
         CG    84  ARG+  HA    7.60  
         CG    84  ARG+  HB2   6.60  
         CG    84  ARG+  HB3   7.30  
         CZ    79  LEU   QD1   7.70  
         CZ    79  LEU   QD2   6.40  
         CZ    84  ARG+  HA    6.30  
         CZ    84  ARG+  HB2   6.30  
         CZ    84  ARG+  HB3   6.50  
 28 LYS+ 
         HN    28  LYS+  QB    4.10  
         HN    28  LYS+  HG2   5.60  
         HN    28  LYS+  HG3   3.90  
         HN    28  LYS+  HD2   5.20  
         HN    28  LYS+  HD3   6.00  
         HN    30  TYR   CG    7.60  
         HN    30  TYR   CZ    6.50  
         QB    28  LYS+  HG2   4.30  
         QB    28  LYS+  HG3   4.30  
         QB    28  LYS+  HD2   5.80  
         QB    28  LYS+  HD3   4.40  
         QB    29  VAL   HN    4.60  
         QB    30  TYR   CZ    7.10  
         QB    78  GLU-  HA    5.40  
         HG2   28  LYS+  HD2   3.60  
         HG2   28  LYS+  HD3   3.00  
         HG2   78  GLU-  HA    4.30  
         HG2   78  GLU-  QG    6.10  
         HG3   28  LYS+  HD3   2.80  
         HG3   30  TYR   CZ    7.70  
         HD2   30  TYR   CZ    7.80  
         HD2   75  ILE   QD1   5.20  
         HD3   30  TYR   CZ    6.30  
         HD3   75  ILE   QD1   4.00  
 29 VAL  
         HN    29  VAL   HA    3.70  
         HN    29  VAL   HB    3.20  
         HN    29  VAL   QG1   4.80  
         HN    29  VAL   QG2   4.00  
         HN    30  TYR   CG    8.00  
         HN    30  TYR   CZ    8.00  
         HN    75  ILE   HG12  3.90  
         HN    76  ILE   HN    4.50  
         HN    76  ILE   HG12  5.80  
         HN    76  ILE   QD1   6.10  
         HN    77  GLY   HN    4.30  
         HN    78  GLU-  HN    4.30  
         HN    78  GLU-  HA    3.60  
         HN    79  LEU   HN    4.50  
         HA    29  VAL   HB    4.30  
         HA    29  VAL   QG1   4.20  
         HA    29  VAL   QG2   4.10  
         HA    30  TYR   HN    2.60  
         HA    30  TYR   CG    6.00  
         HA    30  TYR   CZ    6.40  
         HA    76  ILE   HN    6.00  
         HA    77  GLY   HN    5.70  
         HB    29  VAL   QG1   3.80  
         HB    29  VAL   QG2   3.60  
         HB    76  ILE   HN    5.00  
         HB    76  ILE   HG12  4.60  
         HB    76  ILE   QD1   7.00  
         HB    77  GLY   HN    4.40  
         HB    78  GLU-  HN    5.30  
         HB    78  GLU-  HA    4.60  
         QG1   30  TYR   HN    4.30  
         QG1   30  TYR   HA    5.10  
         QG1   30  TYR   HB2   5.80  
         QG1   31  ASP-  HN    7.00  
         QG1   31  ASP-  HB2   6.50  
         QG1   75  ILE   HA    7.00  
         QG1   76  ILE   HN    6.20  
         QG1   76  ILE   HG12  3.70  
         QG1   76  ILE   HG13  4.20  
         QG1   76  ILE   QD1   4.80  
         QG1   77  GLY   HN    6.20  
         QG1   78  GLU-  HN    7.00  
         QG1   78  GLU-  HA    7.00  
         QG2   30  TYR   CG    8.10  
         QG2   76  ILE   HN    7.00  
         QG2   76  ILE   HG12  5.80  
         QG2   76  ILE   HG13  5.50  
         QG2   76  ILE   QD1   7.70  
         QG2   77  GLY   HN    6.20  
         QG2   78  GLU-  HN    5.10  
         QG2   78  GLU-  HA    4.20  
         QG2   79  LEU   HN    4.50  
         QG2   79  LEU   HA    5.50  
         QG2   80  HIS   HN    5.80  
 30 TYR  
         HN    30  TYR   HA    3.70  
         HN    30  TYR   HB2   3.10  
         HN    30  TYR   HB3   3.80  
         HN    30  TYR   CG    5.60  
         HN    30  TYR   CZ    6.20  
         HN    31  ASP-  HN    4.40  
         HN    32  LEU   QD1   5.50  
         HN    75  ILE   HA    5.40  
         HN    76  ILE   HG13  4.40  
         HN    76  ILE   QD1   5.80  
         HA    30  TYR   HB2   3.40  
         HA    30  TYR   HB3   3.00  
         HA    30  TYR   CG    5.90  
         HA    31  ASP-  HN    2.70  
         HA    32  LEU   QD1   5.30  
         HA    32  LEU   QD2   6.60  
         HA    74  PHE   QB    7.00  
         HA    75  ILE   HA    3.50  
         HA    76  ILE   HN    3.70  
         HA    76  ILE   HG13  3.90  
         HA    76  ILE   QD1   6.80  
         HB2   30  TYR   CG    5.40  
         HB2   30  TYR   CZ    6.50  
         HB2   31  ASP-  HN    4.60  
         HB2   32  LEU   QD1   4.60  
         HB2   32  LEU   QD2   5.90  
         HB2   75  ILE   HA    6.00  
         HB3   30  TYR   CG    5.50  
         HB3   30  TYR   CZ    7.30  
         HB3   31  ASP-  HN    3.90  
         HB3   32  LEU   QD1   4.80  
         HB3   75  ILE   HA    5.10  
         CG    30  TYR   CZ    7.50  
         CG    31  ASP-  HN    7.70  
         CG    32  LEU   QD1   6.70  
         CG    71  SER   HA    7.30  
         CG    71  SER   QB    8.90  
         CG    74  PHE   HN    7.10  
         CG    74  PHE   QB    7.20  
         CG    74  PHE   CG    8.60  
         CG    75  ILE   HN    6.50  
         CG    75  ILE   HA    7.00  
         CG    75  ILE   HB    8.00  
         CG    75  ILE   QG2   7.70  
         CG    75  ILE   HG12  6.80  
         CG    75  ILE   HG13  6.80  
         CG    75  ILE   QD1   8.10  
         CG    76  ILE   HN    8.00  
         CG    201 HEM   QM1   9.00  
         CG    201 HEM   HV2T  5.60  
         CZ    32  LEU   QD1   9.00  
         CZ    71  SER   HA    6.30  
         CZ    71  SER   QB    7.60  
         CZ    74  PHE   HN    8.00  
         CZ    74  PHE   QB    9.00  
         CZ    74  PHE   CG    10.00 
         CZ    75  ILE   HN    8.00  
         CZ    75  ILE   HA    6.80  
         CZ    75  ILE   HB    7.80  
         CZ    75  ILE   QG2   8.00  
         CZ    75  ILE   HG12  6.30  
         CZ    75  ILE   HG13  6.10  
         CZ    75  ILE   QD1   7.20  
         CZ    201 HEM   QM1   9.00  
         CZ    201 HEM   HV2T  7.10  
 31 ASP- 
         HN    31  ASP-  HA    4.10  
         HN    31  ASP-  HB2   3.50  
         HN    31  ASP-  HB3   3.30  
         HN    32  LEU   HN    5.00  
         HN    32  LEU   QD1   4.80  
         HN    74  PHE   QB    5.90  
         HN    75  ILE   HA    4.30  
         HN    76  ILE   HN    4.00  
         HN    76  ILE   QG2   4.30  
         HN    76  ILE   HG12  4.70  
         HN    76  ILE   QD1   4.90  
         HA    31  ASP-  HB2   3.20  
         HA    31  ASP-  HB3   3.50  
         HA    32  LEU   HN    2.70  
         HA    32  LEU   HG    5.30  
         HA    32  LEU   QD1   6.10  
         HA    32  LEU   QD2   6.90  
         HA    76  ILE   QG2   5.20  
         HA    76  ILE   QD1   5.50  
         HB2   32  LEU   HN    4.60  
         HB2   76  ILE   HG13  4.60  
         HB2   76  ILE   QD1   4.10  
         HB3   32  LEU   HN    4.60  
         HB3   76  ILE   QG2   4.10  
         HB3   76  ILE   QD1   4.40  
 32 LEU  
         HN    32  LEU   HA    2.90  
         HN    32  LEU   HB2   3.30  
         HN    32  LEU   HB3   4.10  
         HN    32  LEU   HG    4.10  
         HN    32  LEU   QD1   4.70  
         HN    32  LEU   QD2   5.10  
         HN    33  THR   HN    3.00  
         HA    32  LEU   HB2   3.40  
         HA    32  LEU   HB3   3.00  
         HA    32  LEU   HG    4.00  
         HA    32  LEU   QD1   3.60  
         HA    32  LEU   QD2   5.50  
         HA    33  THR   HN    3.80  
         HA    34  LYS+  HN    4.60  
         HA    35  PHE   HN    4.10  
         HA    35  PHE   HB2   4.30  
         HA    35  PHE   HB3   4.10  
         HA    35  PHE   CG    7.20  
         HB2   32  LEU   QD1   4.40  
         HB2   32  LEU   QD2   4.50  
         HB2   33  THR   HN    4.00  
         HB2   35  PHE   HB2   4.40  
         HB2   35  PHE   HB3   3.50  
         HB2   35  PHE   CG    6.80  
         HB2   36  LEU   HG    4.70  
         HB3   32  LEU   HG    3.80  
         HB3   32  LEU   QD1   4.60  
         HB3   32  LEU   QD2   4.70  
         HB3   33  THR   HN    4.60  
         HB3   35  PHE   HB2   4.00  
         HB3   35  PHE   HB3   3.00  
         HB3   35  PHE   CG    6.80  
         HG    32  LEU   QD1   4.20  
         HG    32  LEU   QD2   4.00  
         HG    33  THR   HN    5.20  
         QD1   33  THR   HN    6.00  
         QD1   35  PHE   HB2   5.00  
         QD1   35  PHE   HB3   5.50  
         QD1   35  PHE   CG    6.80  
         QD1   35  PHE   CZ    8.70  
         QD1   74  PHE   QB    6.20  
         QD1   74  PHE   CG    6.70  
         QD1   74  PHE   CZ    7.70  
         QD1   74  PHE   HZ    7.00  
         QD1   201 HEM   QM1   6.90  
         QD1   201 HEM   HV2A  3.50  
         QD1   201 HEM   HV2T  3.70  
         QD2   35  PHE   CG    7.40  
         QD2   35  PHE   CZ    7.70  
         QD2   74  PHE   CG    9.00  
         QD2   201 HEM   HV2T  5.50  
 33 THR  
         HN    33  THR   HA    3.20  
         HN    33  THR   HB    3.60  
         HN    33  THR   QG2   4.80  
         HN    34  LYS+  HN    3.70  
         HN    35  PHE   HN    4.30  
         HA    33  THR   HB    3.00  
         HA    33  THR   QG2   4.30  
         HA    34  LYS+  HN    4.90  
         HA    34  LYS+  HA    4.80  
         HA    35  PHE   HN    4.50  
         HA    36  LEU   HN    4.80  
         HA    36  LEU   HG    3.80  
         HA    36  LEU   QD1   4.10  
         HA    36  LEU   QD2   4.80  
         HB    33  THR   QG2   3.50  
         HB    34  LYS+  HN    3.80  
         QG2   34  LYS+  HN    5.10  
         QG2   34  LYS+  HA    5.50  
         QG2   36  LEU   HG    7.00  
 34 LYS+ 
         HN    34  LYS+  HA    3.90  
         HN    34  LYS+  HB2   3.30  
         HN    34  LYS+  HB3   4.20  
         HN    34  LYS+  HG2   4.30  
         HN    34  LYS+  HG3   4.70  
         HN    34  LYS+  QD    5.40  
         HN    35  PHE   HN    3.20  
         HN    35  PHE   HB2   4.80  
         HN    35  PHE   HB3   4.40  
         HN    36  LEU   HN    4.70  
         HA    34  LYS+  HB2   3.00  
         HA    34  LYS+  HB3   3.50  
         HA    34  LYS+  HG2   3.50  
         HA    34  LYS+  HG3   3.40  
         HA    34  LYS+  QD    4.60  
         HA    35  PHE   HN    3.70  
         HA    36  LEU   HN    4.50  
         HB2   34  LYS+  HG2   2.60  
         HB2   34  LYS+  QD    3.90  
         HB2   35  PHE   HN    4.30  
         HB2   74  PHE   CZ    7.20  
         HB3   34  LYS+  HG2   2.50  
         HB3   34  LYS+  QD    4.70  
         HB3   34  LYS+  QE    4.90  
         HG2   34  LYS+  QD    4.70  
         HG2   34  LYS+  QE    7.00  
         HG3   34  LYS+  QD    4.80  
         HG3   34  LYS+  QE    6.80  
 35 PHE  
         HN    35  PHE   HA    3.30  
         HN    35  PHE   HB2   3.10  
         HN    35  PHE   HB3   3.20  
         HN    35  PHE   CG    6.50  
         HN    36  LEU   HN    2.80  
         HN    36  LEU   HB2   4.30  
         HN    36  LEU   HG    3.50  
         HN    36  LEU   QD1   7.00  
         HN    36  LEU   QD2   7.00  
         HA    35  PHE   HB2   2.80  
         HA    35  PHE   HB3   3.00  
         HA    35  PHE   CG    4.40  
         HA    36  LEU   HN    4.20  
         HA    37  GLU-  HN    5.30  
         HA    38  GLU-  HN    3.50  
         HA    38  GLU-  HB2   3.30  
         HA    38  GLU-  HB3   3.60  
         HA    38  GLU-  HG2   3.70  
         HA    39  HIS   HN    5.90  
         HA    74  PHE   CZ    8.00  
         HA    74  PHE   HZ    5.60  
         HB2   35  PHE   CG    5.60  
         HB2   36  LEU   HN    4.20  
         HB2   74  PHE   CG    8.00  
         HB2   74  PHE   CZ    6.50  
         HB2   74  PHE   HZ    3.90  
         HB3   35  PHE   CG    5.60  
         HB3   36  LEU   HN    4.30  
         HB3   74  PHE   CG    7.60  
         HB3   74  PHE   CZ    7.00  
         HB3   74  PHE   HZ    4.30  
         CG    35  PHE   CZ    9.50  
         CG    36  LEU   HN    8.00  
         CG    36  LEU   QD2   9.00  
         CG    38  GLU-  HN    7.60  
         CG    38  GLU-  HB2   6.00  
         CG    38  GLU-  HB3   6.30  
         CG    39  HIS   HN    8.00  
         CG    74  PHE   CG    9.70  
         CG    74  PHE   CZ    8.60  
         CG    74  PHE   HZ    5.80  
         CG    201 HEM   QM1   7.50  
         CZ    201 HEM   QM1   7.80  
         HZ    38  GLU-  HB2   4.90  
         HZ    201 HEM   QM1   7.00  
 36 LEU  
         HN    36  LEU   HB2   2.90  
         HN    36  LEU   HB3   3.70  
         HN    36  LEU   HG    3.00  
         HN    36  LEU   QD1   4.10  
         HN    36  LEU   QD2   4.20  
         HN    37  GLU-  HN    3.30  
         HN    38  GLU-  HN    4.60  
         HA    39  HIS   HN    4.20  
         HB2   36  LEU   QD1   3.60  
         HB2   36  LEU   QD2   4.10  
         HB2   37  GLU-  HN    3.30  
         HB2   43  GLU-  HA    5.10  
         HB2   43  GLU-  HB2   3.90  
         HB3   36  LEU   HG    3.20  
         HB3   36  LEU   QD1   3.50  
         HB3   36  LEU   QD2   3.50  
         HB3   37  GLU-  HN    3.30  
         HB3   43  GLU-  HA    5.00  
         HB3   43  GLU-  HB2   4.50  
         HB3   43  GLU-  HB3   4.00  
         HG    36  LEU   QD1   3.60  
         HG    36  LEU   QD2   3.50  
         QD1   37  GLU-  HN    5.00  
         QD1   43  GLU-  HA    7.00  
         QD1   43  GLU-  HB2   5.50  
         QD1   43  GLU-  HB3   6.30  
         QD1   47  ARG+  HA    5.70  
         QD1   47  ARG+  QB    6.50  
         QD1   47  ARG+  QD    7.10  
         QD2   37  GLU-  HN    5.70  
         QD2   43  GLU-  HA    5.00  
         QD2   43  GLU-  HB2   5.10  
         QD2   43  GLU-  HB3   7.00  
         QD2   46  LEU   QB    6.10  
         QD2   47  ARG+  HN    4.80  
         QD2   47  ARG+  HA    5.80  
         QD2   47  ARG+  QB    6.60  
         QD2   47  ARG+  QD    7.20  
 37 GLU- 
         HN    37  GLU-  HA    3.20  
         HN    37  GLU-  HB2   3.60  
         HN    37  GLU-  HB3   3.20  
         HN    37  GLU-  QG    4.60  
         HN    38  GLU-  HN    2.70  
         HN    39  HIS   HN    4.30  
         HA    37  GLU-  HB2   2.80  
         HA    37  GLU-  HB3   3.00  
         HA    37  GLU-  QG    4.40  
         HA    38  GLU-  HN    3.80  
         HA    39  HIS   HN    4.60  
         HB3   37  GLU-  QG    4.10  
         HB3   38  GLU-  HN    3.50  
 38 GLU- 
         HN    38  GLU-  HA    3.70  
         HN    38  GLU-  HB2   2.90  
         HN    38  GLU-  HB3   4.20  
         HN    38  GLU-  HG2   3.80  
         HN    38  GLU-  HG3   4.10  
         HN    39  HIS   HN    2.60  
         HA    38  GLU-  HB2   3.00  
         HA    38  GLU-  HB3   3.00  
         HA    38  GLU-  HG2   4.50  
         HA    38  GLU-  HG3   4.00  
         HA    39  HIS   HN    4.70  
         HB2   39  HIS   HN    3.60  
         HB3   39  HIS   HN    3.90  
         HG2   39  HIS   HN    4.80  
         HG3   39  HIS   HN    4.80  
 39 HIS  
         HN    39  HIS   HA    2.80  
         HN    39  HIS   HB2   2.60  
         HN    39  HIS   HB3   2.50  
         HA    39  HIS   HB3   3.50  
         HA    40  PRO   HG3   6.00  
 40 PRO  
         HA    40  PRO   HB3   3.10  
         HB2   201 HEM   HAP72 6.00  
         HB3   201 HEM   HAP72 6.00  
         HG2   201 HEM   HAP71 5.80  
         HG2   201 HEM   HAP72 6.00  
         HG2   201 HEM   QM8   5.50  
         HG3   201 HEM   HAP72 6.00  
 41 GLY  
         HN    41  GLY   HA1   4.20  
         HN    41  GLY   HA2   3.40  
         HA1   201 HEM   HBM   5.80  
         HA1   201 HEM   HAP61 6.00  
         HA1   201 HEM   HAP62 6.00  
         HA2   201 HEM   HBM   5.10  
 42 GLY  
         HN    42  GLY   HA1   3.30  
         HN    42  GLY   HA2   3.30  
         HN    43  GLU-  HN    5.70  
         HA1   43  GLU-  HN    3.50  
         HA1   44  ALA   HN    6.00  
         HA2   43  GLU-  HN    3.40  
         HA2   44  ALA   HN    6.00  
         HA2   45  VAL   HN    6.00  
 43 GLU- 
         HN    43  GLU-  HA    3.80  
         HN    43  GLU-  HB2   3.60  
         HN    43  GLU-  HB3   3.60  
         HA    43  GLU-  HB2   3.30  
         HA    43  GLU-  HB3   3.40  
         HA    44  ALA   HN    5.40  
         HA    45  VAL   HN    6.00  
         HA    46  LEU   HN    4.60  
         HA    46  LEU   QB    5.20  
         HA    46  LEU   HG    5.20  
         HA    47  ARG+  HN    5.90  
         HB2   44  ALA   HN    4.00  
         HB3   44  ALA   HN    4.30  
         HB3   44  ALA   QB    7.00  
 44 ALA  
         HN    44  ALA   HA    3.60  
         HN    44  ALA   QB    3.50  
         HN    45  VAL   HN    5.10  
         HN    46  LEU   HN    6.00  
         HN    47  ARG+  HN    6.00  
         HA    44  ALA   QB    3.50  
         HA    45  VAL   HN    4.20  
         HA    46  LEU   HN    5.90  
         HA    47  ARG+  HN    3.80  
         HA    47  ARG+  QB    4.20  
         HA    47  ARG+  QG    5.00  
         HA    47  ARG+  QD    6.60  
         HA    48  ALA   HN    4.60  
         QB    45  VAL   HN    3.50  
         QB    45  VAL   HA    5.40  
 45 VAL  
         HN    45  VAL   HA    3.30  
         HN    45  VAL   HB    3.50  
         HN    45  VAL   QG1   5.30  
         HN    45  VAL   QG2   4.70  
         HN    46  LEU   HN    3.40  
         HN    47  ARG+  HN    4.40  
         HN    48  ALA   HN    6.00  
         HN    48  ALA   QB    6.10  
         HA    45  VAL   HB    3.10  
         HA    45  VAL   QG1   5.00  
         HA    45  VAL   QG2   3.70  
         HA    46  LEU   HN    4.50  
         HA    48  ALA   HN    3.90  
         HA    48  ALA   QB    3.50  
         HB    45  VAL   QG1   5.60  
         HB    45  VAL   QG2   4.10  
         HB    46  LEU   HN    4.70  
         QG1   46  LEU   HN    6.80  
         QG1   201 HEM   QM5   4.30  
         QG2   46  LEU   HN    7.00  
         QG2   201 HEM   QM5   6.60  
 46 LEU  
         HN    46  LEU   HA    3.70  
         HN    46  LEU   QB    4.40  
         HN    46  LEU   HG    4.10  
         HN    47  ARG+  HN    3.10  
         HN    47  ARG+  QB    5.10  
         HN    48  ALA   HN    4.60  
         HA    46  LEU   QB    4.30  
         HA    46  LEU   HG    3.70  
         HA    46  LEU   QD2   6.10  
         HA    47  ARG+  HN    3.90  
         HA    49  GLN   HN    5.20  
         HA    49  GLN   HB3   4.60  
         QB    46  LEU   HG    4.70  
         QB    46  LEU   QD2   7.30  
         QB    47  ARG+  HN    4.50  
         HG    47  ARG+  HN    5.30  
         HG    201 HEM   QM3   6.00  
 47 ARG+ 
         HN    47  ARG+  HA    3.00  
         HN    47  ARG+  QB    3.40  
         HN    47  ARG+  QG    5.00  
         HN    47  ARG+  QD    6.40  
         HN    48  ALA   HN    3.20  
         HN    48  ALA   QB    4.90  
         HN    49  GLN   HN    5.80  
         HA    47  ARG+  QB    3.40  
         HA    47  ARG+  QG    4.40  
         HA    47  ARG+  QD    5.50  
         HA    48  ALA   HN    3.80  
         HA    49  GLN   HN    4.80  
         HA    50  ALA   HN    3.90  
         HA    50  ALA   QB    3.50  
         QB    47  ARG+  QG    5.10  
         QB    47  ARG+  QD    5.30  
         QB    48  ALA   HN    4.40  
         QB    48  ALA   HA    5.20  
         QG    47  ARG+  QD    5.90  
         QG    48  ALA   HN    6.70  
 48 ALA  
         HN    48  ALA   HA    3.10  
         HN    48  ALA   QB    3.50  
         HN    49  GLN   HN    2.90  
         HN    49  GLN   HB2   4.60  
         HN    50  ALA   HN    6.00  
         HA    48  ALA   QB    3.50  
         HA    49  GLN   HN    3.70  
         HA    50  ALA   HN    4.30  
         QB    49  GLN   HN    3.50  
         QB    49  GLN   HG2   5.30  
         QB    50  ALA   HN    5.30  
 49 GLN  
         HN    49  GLN   HA    3.10  
         HN    49  GLN   HB2   3.40  
         HN    49  GLN   HB3   3.40  
         HN    49  GLN   HG2   4.10  
         HN    49  GLN   HG3   3.90  
         HN    50  ALA   HN    2.60  
         HN    50  ALA   HA    5.10  
         HN    50  ALA   QB    5.40  
         HA    49  GLN   HB2   3.30  
         HA    49  GLN   HB3   3.00  
         HA    49  GLN   HG2   3.40  
         HA    49  GLN   HG3   4.00  
         HA    49  GLN   QE2   6.60  
         HA    50  ALA   HN    3.70  
         HA    54  ALA   QB    5.80  
         HB2   49  GLN   HG2   2.60  
         HB2   49  GLN   HG3   3.20  
         HB2   49  GLN   QE2   6.80  
         HB2   50  ALA   HN    3.40  
         HB2   54  ALA   QB    5.40  
         HB3   49  GLN   HG2   3.50  
         HB3   49  GLN   HG3   2.50  
         HB3   49  GLN   QE2   6.90  
         HB3   50  ALA   HN    4.60  
         HB3   54  ALA   HA    6.00  
         HB3   54  ALA   QB    4.70  
         HG2   49  GLN   QE2   5.30  
         HG2   54  ALA   QB    6.40  
         HG2   57  ASN   HB2   5.50  
         HG3   49  GLN   QE2   6.00  
         HG3   54  ALA   HA    4.80  
         HG3   54  ALA   QB    3.90  
 50 ALA  
         HN    50  ALA   HA    3.30  
         HN    50  ALA   QB    3.50  
         HN    51  GLY   HN    5.00  
         HA    50  ALA   QB    3.50  
         HA    51  GLY   HN    2.50  
         HA    51  GLY   HA1   4.70  
         HA    52  GLY   HN    3.90  
         QB    51  GLY   HN    3.90  
         QB    51  GLY   HA1   5.70  
         QB    51  GLY   HA2   5.10  
         QB    52  GLY   HN    5.80  
 51 GLY  
         HN    51  GLY   HA1   3.20  
         HN    51  GLY   HA2   3.00  
         HN    52  GLY   HN    3.20  
         HA1   52  GLY   HN    3.80  
         HA2   52  GLY   HN    3.80  
 52 GLY  
         HN    52  GLY   HA1   3.20  
         HN    52  GLY   HA2   3.10  
         HN    53  ASP-  HN    4.50  
         HA1   53  ASP-  HN    3.10  
         HA2   53  ASP-  HN    3.70  
         HA2   53  ASP-  HB3   5.10  
 53 ASP- 
         HN    53  ASP-  HA    5.00  
         HN    53  ASP-  HB3   3.20  
 54 ALA  
         HN    54  ALA   HA    3.90  
         HN    54  ALA   QB    3.50  
         HN    55  THR   HN    6.00  
         HN    55  THR   HA    4.40  
         HN    55  THR   HB    4.70  
         HN    55  THR   QG2   7.00  
         HA    54  ALA   QB    3.50  
         HA    55  THR   HN    4.90  
         HA    55  THR   HA    4.90  
         HA    56  ALA   HN    4.90  
         HA    57  ASN   HN    4.70  
         HA    57  ASN   HB2   3.20  
         HA    58  PHE   HN    4.10  
         QB    55  THR   HN    5.20  
         QB    55  THR   HA    5.60  
         QB    56  ALA   HN    6.10  
         QB    57  ASN   HN    5.00  
         QB    57  ASN   HB2   7.00  
         QB    58  PHE   HN    4.00  
         QB    201 HEM   QM3   3.70  
 55 THR  
         HN    55  THR   HA    3.70  
         HN    55  THR   HB    3.40  
         HN    55  THR   QG2   4.50  
         HN    56  ALA   HN    5.20  
         HN    57  ASN   HN    4.20  
         HA    55  THR   HB    3.30  
         HA    55  THR   QG2   3.60  
         HA    56  ALA   HN    4.20  
         HA    57  ASN   HN    6.00  
         HA    58  PHE   HN    4.10  
         HA    59  GLU-  HN    4.80  
         HB    55  THR   QG2   3.50  
         HB    56  ALA   HN    3.10  
         HB    56  ALA   QB    6.20  
         QG2   56  ALA   HN    4.70  
         QG2   56  ALA   HA    5.60  
         QG2   57  ASN   HN    7.00  
         QG2   58  PHE   QB    6.10  
         QG2   59  GLU-  HN    5.80  
         QG2   59  GLU-  HA    7.00  
         QG2   59  GLU-  HB2   5.90  
         QG2   59  GLU-  HB3   7.00  
         QG2   59  GLU-  HG3   4.30  
 56 ALA  
         HN    56  ALA   HA    3.00  
         HN    56  ALA   QB    3.50  
         HN    57  ASN   HN    3.50  
         HN    58  PHE   HN    4.40  
         HA    56  ALA   QB    3.50  
         HA    57  ASN   HN    3.70  
         HA    58  PHE   HN    4.90  
         HA    59  GLU-  HN    4.10  
         HA    59  GLU-  HA    5.70  
         HA    59  GLU-  HB2   5.30  
         HA    59  GLU-  HB3   4.70  
         HA    60  ALA   HN    5.20  
         QB    57  ASN   HN    3.50  
         QB    58  PHE   HN    7.00  
 57 ASN  
         HN    57  ASN   HA    3.10  
         HN    57  ASN   HB2   3.30  
         HN    57  ASN   HB3   3.60  
         HN    58  PHE   HN    3.20  
         HN    59  GLU-  HN    6.00  
         HN    60  ALA   QB    5.30  
         HA    57  ASN   HB2   3.20  
         HA    57  ASN   HB3   3.10  
         HA    57  ASN   HD21  4.60  
         HA    57  ASN   HD22  5.90  
         HA    58  PHE   HN    3.70  
         HA    59  GLU-  HN    6.00  
         HA    60  ALA   HN    4.10  
         HA    60  ALA   QB    3.50  
         HB2   57  ASN   HD21  3.90  
         HB2   57  ASN   HD22  4.30  
         HB2   58  PHE   HN    3.50  
         HB2   201 HEM   HV4T  5.10  
         HB3   57  ASN   HD21  4.00  
         HB3   57  ASN   HD22  4.50  
         HB3   58  PHE   HN    3.80  
 58 PHE  
         HN    58  PHE   QB    5.00  
         HN    59  GLU-  HN    3.10  
         HN    59  GLU-  HG2   4.30  
         HN    60  ALA   HN    4.60  
         QB    59  GLU-  HN    6.90  
         CG    58  PHE   CZ    8.30  
         CG    58  PHE   HZ    6.60  
         CZ    58  PHE   HZ    5.60  
         CZ    201 HEM   QM1   9.00  
 59 GLU- 
         HN    59  GLU-  HA    3.10  
         HN    59  GLU-  HB2   3.60  
         HN    59  GLU-  HB3   3.10  
         HN    59  GLU-  HG2   3.50  
         HN    59  GLU-  HG3   3.50  
         HN    60  ALA   HN    2.90  
         HN    60  ALA   HA    5.40  
         HN    60  ALA   QB    5.30  
         HN    61  VAL   HN    4.80  
         HA    59  GLU-  HB2   3.00  
         HA    59  GLU-  HB3   2.90  
         HA    59  GLU-  HG2   4.30  
         HA    59  GLU-  HG3   4.70  
         HA    60  ALA   HN    3.80  
         HA    61  VAL   HN    4.60  
         HA    62  GLY   HN    5.00  
         HA    63  HIS   HN    6.00  
         HB2   59  GLU-  HG2   3.00  
         HB2   59  GLU-  HG3   2.90  
         HB2   60  ALA   HN    3.90  
         HB3   59  GLU-  HG2   3.20  
         HB3   59  GLU-  HG3   3.30  
         HB3   60  ALA   HN    4.00  
         HG2   60  ALA   HN    6.00  
         HG3   60  ALA   HN    5.80  
 60 ALA  
         HN    60  ALA   HA    2.90  
         HN    60  ALA   QB    3.50  
         HN    61  VAL   HN    3.30  
         HA    60  ALA   QB    3.50  
         HA    61  VAL   HN    4.30  
         HA    62  GLY   HN    5.00  
         QB    61  VAL   HN    3.70  
 61 VAL  
         HN    61  VAL   HA    3.50  
         HN    62  GLY   HN    3.40  
         HA    201 HEM   HBP63 4.90  
 62 GLY  
         HN    62  GLY   HA1   3.70  
         HN    62  GLY   HA2   3.60  
         HN    63  HIS   HN    5.00  
         HA1   63  HIS   HN    4.80  
         HA2   63  HIS   HN    5.60  
 63 HIS  
         HN    63  HIS   HA    6.00  
         HN    63  HIS   HB2   6.00  
         HA    64  SER   HN    4.10  
 64 SER  
         HN    64  SER   HA    3.50  
         HN    64  SER   HB2   3.80  
         HN    64  SER   HB3   3.60  
         HN    65  THR   HN    6.00  
         HN    67  ALA   HN    6.00  
         HN    67  ALA   QB    7.00  
         HA    64  SER   HB2   3.30  
         HA    64  SER   HB3   3.20  
         HA    65  THR   HN    3.90  
         HA    65  THR   HA    4.80  
         HB2   65  THR   HN    4.60  
         HB2   67  ALA   HN    6.00  
         HB3   65  THR   HN    5.00  
         HB3   67  ALA   HN    6.00  
 65 THR  
         HN    65  THR   HA    3.10  
         HN    65  THR   HB    4.00  
         HN    66  ASP-  HN    3.70  
         HN    67  ALA   HN    4.30  
         HA    65  THR   HB    3.20  
         HA    66  ASP-  HN    3.80  
         HA    67  ALA   HN    4.70  
         HA    68  ARG+  HN    3.40  
         HA    68  ARG+  HB3   3.60  
         HA    68  ARG+  HG2   4.80  
         HA    68  ARG+  HG3   6.00  
         HA    68  ARG+  HD2   5.80  
         HA    68  ARG+  HD3   4.10  
         HA    69  GLU-  HN    4.10  
         HB    66  ASP-  HN    3.60  
         HB    69  GLU-  HN    5.40  
 66 ASP- 
         HN    66  ASP-  HA    3.00  
         HN    66  ASP-  HB2   3.10  
         HN    66  ASP-  HB3   3.30  
         HA    66  ASP-  HB2   2.80  
         HA    66  ASP-  HB3   3.10  
         HA    67  ALA   HN    3.80  
         HA    69  GLU-  HN    3.60  
         HA    69  GLU-  HB2   4.00  
         HA    69  GLU-  HB3   4.10  
         HA    70  LEU   HN    5.10  
         HB2   67  ALA   HN    3.30  
         HB2   67  ALA   HA    6.00  
         HB3   67  ALA   HN    3.40  
 67 ALA  
         HN    67  ALA   HA    4.50  
         HN    67  ALA   QB    4.30  
         HN    68  ARG+  HN    3.40  
         HN    69  GLU-  HN    4.00  
         HN    70  LEU   HB3   5.30  
         HA    67  ALA   QB    4.60  
         HA    68  ARG+  HN    4.60  
         HA    69  GLU-  HN    6.00  
         HA    70  LEU   HN    4.00  
         HA    70  LEU   HB2   3.70  
         HA    70  LEU   HB3   3.70  
         HA    70  LEU   QD2   4.90  
         HA    71  SER   HN    4.60  
         HA    201 HEM   QM8   4.10  
         HA    201 HEM   QM1   6.50  
         QB    68  ARG+  HN    4.30  
         QB    201 HEM   QM8   6.20  
 68 ARG+ 
         HN    68  ARG+  HA    4.00  
         HN    68  ARG+  HB2   3.10  
         HN    68  ARG+  HB3   3.60  
         HN    68  ARG+  HG2   4.70  
         HN    68  ARG+  HG3   5.10  
         HN    68  ARG+  HD2   3.70  
         HN    68  ARG+  HD3   4.70  
         HN    69  GLU-  HN    3.10  
         HN    69  GLU-  HB2   4.50  
         HN    70  LEU   HN    5.40  
         HA    68  ARG+  HB2   3.70  
         HA    68  ARG+  HB3   3.80  
         HA    68  ARG+  HG3   4.60  
         HA    68  ARG+  HD2   4.50  
         HA    69  GLU-  HN    4.20  
         HA    71  SER   HN    6.00  
         HA    71  SER   QB    7.00  
         HB2   68  ARG+  HG2   4.00  
         HB2   68  ARG+  HD2   3.50  
         HB2   68  ARG+  HD3   4.30  
         HB2   69  GLU-  HN    4.30  
         HB3   68  ARG+  HG2   4.30  
         HB3   68  ARG+  HD2   4.10  
         HB3   68  ARG+  HD3   3.90  
         HB3   69  GLU-  HN    4.00  
         HG2   68  ARG+  HD2   4.10  
         HG2   68  ARG+  HD3   2.70  
         HG3   68  ARG+  HD2   2.90  
         HG3   68  ARG+  HD3   4.30  
         HG3   69  GLU-  HN    6.00  
 69 GLU- 
         HN    69  GLU-  HA    3.00  
         HN    69  GLU-  HB2   3.00  
         HN    69  GLU-  HB3   3.50  
         HN    69  GLU-  HG2   3.60  
         HN    69  GLU-  HG3   3.80  
         HN    70  LEU   HN    3.00  
         HN    70  LEU   HA    5.00  
         HN    70  LEU   HB2   4.60  
         HN    70  LEU   HB3   4.40  
         HN    71  SER   HN    5.60  
         HA    69  GLU-  HB2   2.90  
         HA    69  GLU-  HB3   2.80  
         HA    69  GLU-  HG2   3.50  
         HA    69  GLU-  HG3   3.70  
         HA    70  LEU   HN    3.90  
         HA    71  SER   HN    6.00  
         HA    72  LYS+  HN    4.50  
         HB2   69  GLU-  HG2   2.80  
         HB2   69  GLU-  HG3   2.90  
         HB2   70  LEU   HN    3.10  
         HB2   70  LEU   HB2   5.20  
         HB3   69  GLU-  HG2   3.10  
         HB3   69  GLU-  HG3   3.00  
         HB3   70  LEU   HN    3.50  
 70 LEU  
         HN    70  LEU   HA    3.00  
         HN    70  LEU   HB2   2.90  
         HN    70  LEU   HB3   3.30  
         HN    70  LEU   HG    4.50  
         HN    70  LEU   QD1   5.30  
         HN    70  LEU   QD2   5.30  
         HN    71  SER   HN    3.10  
         HN    72  LYS+  HN    6.00  
         HN    201 HEM   QM1   6.70  
         HA    70  LEU   HB2   2.70  
         HA    70  LEU   HB3   3.00  
         HA    70  LEU   HG    4.10  
         HA    70  LEU   QD1   3.90  
         HA    70  LEU   QD2   4.50  
         HA    71  SER   HN    4.00  
         HA    72  LYS+  HN    4.70  
         HA    73  THR   HN    5.00  
         HA    201 HEM   QM1   5.20  
         HB2   70  LEU   HG    3.60  
         HB2   70  LEU   QD1   4.00  
         HB2   70  LEU   QD2   3.60  
         HB2   71  SER   HN    4.00  
         HB2   74  PHE   CZ    8.00  
         HB2   201 HEM   QM1   7.00  
         HB3   70  LEU   HG    3.40  
         HB3   70  LEU   QD1   3.50  
         HB3   70  LEU   QD2   3.60  
         HB3   71  SER   HN    3.60  
         HB3   74  PHE   CG    8.00  
         HB3   74  PHE   CZ    8.00  
         HB3   201 HEM   QM1   4.30  
         HG    70  LEU   QD1   3.70  
         HG    70  LEU   QD2   3.50  
         HG    71  SER   HN    4.80  
         HG    74  PHE   CG    7.20  
         HG    74  PHE   CZ    5.60  
         HG    201 HEM   QM1   5.50  
         QD1   71  SER   HN    4.30  
         QD1   73  THR   HN    5.30  
         QD1   73  THR   HB    7.00  
         QD1   74  PHE   CZ    6.80  
         QD1   74  PHE   HZ    5.50  
         QD1   201 HEM   QM1   6.50  
         QD2   71  SER   HN    6.90  
         QD2   71  SER   HA    7.00  
         QD2   74  PHE   CZ    6.80  
         QD2   74  PHE   HZ    7.00  
         QD2   201 HEM   QM8   5.30  
         QD2   201 HEM   QM1   4.80  
 71 SER  
         HN    71  SER   HA    3.50  
         HN    71  SER   QB    4.50  
         HN    72  LYS+  HN    3.60  
         HN    72  LYS+  HG2   5.30  
         HN    74  PHE   CG    8.00  
         HN    201 HEM   QM1   4.50  
         HA    71  SER   QB    3.80  
         HA    72  LYS+  HN    3.70  
         HA    74  PHE   HN    5.00  
         HA    74  PHE   QB    7.00  
         HA    74  PHE   CG    5.40  
         HA    74  PHE   CZ    6.20  
         HA    201 HEM   QM1   3.50  
         HA    201 HEM   HV2A  4.00  
         QB    72  LYS+  HN    6.30  
         QB    201 HEM   QM1   5.60  
         QB    201 HEM   HV2A  5.80  
         QB    201 HEM   HV2T  4.80  
         QB    201 HEM   HV2C  7.00  
 72 LYS+ 
         HN    72  LYS+  HA    3.20  
         HN    72  LYS+  QB    3.60  
         HN    72  LYS+  HG2   3.60  
         HN    72  LYS+  HG3   3.10  
         HN    73  THR   HN    3.10  
         HN    201 HEM   QM1   7.00  
         HA    72  LYS+  QB    4.20  
         HA    72  LYS+  HG2   3.20  
         HA    72  LYS+  HG3   3.70  
         HA    73  THR   HN    4.40  
         HA    74  PHE   HN    4.40  
         HA    75  ILE   HN    4.40  
         HA    75  ILE   HB    4.80  
         HA    75  ILE   QG2   5.80  
         HA    75  ILE   HG13  3.00  
         HA    75  ILE   QD1   6.70  
         QB    72  LYS+  HG2   4.70  
         QB    72  LYS+  HG3   3.70  
         QB    73  THR   HN    5.30  
 73 THR  
         HN    73  THR   HA    3.00  
         HN    73  THR   HB    3.30  
         HN    73  THR   QG2   5.70  
         HN    74  PHE   HN    3.00  
         HN    74  PHE   CG    6.80  
         HN    74  PHE   CZ    8.00  
         HN    75  ILE   HN    3.90  
         HA    73  THR   HB    3.30  
         HA    73  THR   QG2   3.50  
         HA    74  PHE   HN    3.40  
         HA    75  ILE   HN    5.60  
         HB    73  THR   QG2   3.50  
         HB    74  PHE   HN    4.20  
         HB    74  PHE   CG    6.20  
         QG2   74  PHE   HN    6.80  
         QG2   74  PHE   CG    7.10  
         QG2   74  PHE   CZ    7.20  
         QG2   74  PHE   HZ    6.00  
 74 PHE  
         HN    74  PHE   HA    5.50  
         HN    74  PHE   QB    4.90  
         HN    74  PHE   CG    5.80  
         HN    75  ILE   HN    2.90  
         HN    75  ILE   HA    5.30  
         HN    75  ILE   HB    4.70  
         HN    75  ILE   HG12  5.30  
         HN    75  ILE   QD1   7.00  
         HA    74  PHE   QB    6.70  
         QB    74  PHE   CG    7.20  
         QB    75  ILE   HN    4.90  
         QB    201 HEM   QM1   5.30  
         QB    201 HEM   HV2T  6.10  
         CG    74  PHE   CZ    7.20  
         CG    74  PHE   HZ    6.00  
         CG    201 HEM   QM1   7.40  
         CG    201 HEM   HV2A  7.10  
         CG    201 HEM   HV2C  8.00  
         CZ    74  PHE   HZ    4.90  
         CZ    201 HEM   QM1   6.10  
         HZ    201 HEM   QM1   6.60  
 75 ILE  
         HN    75  ILE   HA    3.40  
         HN    75  ILE   HB    2.50  
         HN    75  ILE   QG2   3.90  
         HN    75  ILE   HG12  4.60  
         HN    75  ILE   HG13  4.70  
         HN    75  ILE   QD1   5.30  
         HN    76  ILE   HN    5.10  
         HA    75  ILE   HB    3.30  
         HA    75  ILE   QG2   3.80  
         HA    75  ILE   HG12  3.70  
         HA    75  ILE   HG13  4.00  
         HA    75  ILE   QD1   4.30  
         HA    76  ILE   HN    2.70  
         HA    76  ILE   HA    5.70  
         HA    76  ILE   QG2   7.00  
         HA    76  ILE   HG12  4.50  
         HA    76  ILE   HG13  4.00  
         HA    76  ILE   QD1   6.70  
         HA    77  GLY   HN    4.20  
         HB    75  ILE   QG2   3.50  
         HB    75  ILE   HG12  3.60  
         HB    75  ILE   HG13  2.60  
         HB    75  ILE   QD1   4.80  
         HB    76  ILE   HN    4.50  
         QG2   75  ILE   HG12  3.50  
         QG2   75  ILE   QD1   4.90  
         QG2   76  ILE   HN    4.30  
         QG2   77  GLY   HN    6.60  
         HG12  75  ILE   QD1   3.50  
         HG12  76  ILE   HN    4.30  
         HG12  77  GLY   HN    4.50  
         HG13  75  ILE   QD1   3.50  
         HG13  76  ILE   HN    4.70  
         HG13  77  GLY   HN    5.00  
         QD1   76  ILE   HN    6.10  
         QD1   77  GLY   HN    5.40  
         QD1   77  GLY   HA1   7.00  
         QD1   77  GLY   HA2   4.90  
 76 ILE  
         HN    76  ILE   HA    3.70  
         HN    76  ILE   HB    3.70  
         HN    76  ILE   QG2   4.60  
         HN    76  ILE   HG12  3.40  
         HN    76  ILE   HG13  3.40  
         HN    76  ILE   QD1   4.40  
         HN    77  GLY   HN    2.80  
         HA    76  ILE   HB    3.00  
         HA    76  ILE   QG2   3.50  
         HA    76  ILE   HG12  4.70  
         HA    76  ILE   HG13  4.60  
         HA    76  ILE   QD1   5.10  
         HA    77  GLY   HN    4.30  
         HB    76  ILE   QG2   3.50  
         HB    76  ILE   HG12  3.70  
         HB    76  ILE   HG13  3.90  
         HB    76  ILE   QD1   3.50  
         HB    77  GLY   HN    4.10  
         QG2   76  ILE   HG12  3.90  
         QG2   76  ILE   HG13  4.10  
         QG2   76  ILE   QD1   4.50  
         QG2   77  GLY   HN    6.30  
         HG12  76  ILE   QD1   3.50  
         HG12  77  GLY   HN    4.00  
         HG13  76  ILE   QD1   3.50  
         HG13  77  GLY   HN    3.80  
         QD1   77  GLY   HN    5.50  
 77 GLY  
         HN    77  GLY   HA1   3.70  
         HN    77  GLY   HA2   3.70  
         HN    78  GLU-  HN    4.20  
         HA1   78  GLU-  HN    3.00  
         HA1   78  GLU-  HB3   4.70  
         HA2   78  GLU-  HN    3.10  
 78 GLU- 
         HN    78  GLU-  HA    3.60  
         HN    78  GLU-  HB2   3.30  
         HN    78  GLU-  HB3   3.70  
         HN    78  GLU-  QG    5.90  
         HA    78  GLU-  HB2   3.60  
         HA    78  GLU-  HB3   3.60  
         HA    78  GLU-  QG    4.50  
         HA    79  LEU   HN    3.10  
         HB2   78  GLU-  QG    5.20  
         HB2   79  LEU   HN    3.80  
         HB3   78  GLU-  QG    4.60  
         HB3   79  LEU   HN    3.60  
         QG    79  LEU   HN    5.10  
 79 LEU  
         HN    79  LEU   HA    3.60  
         HN    79  LEU   QB    4.20  
         HN    79  LEU   HG    5.30  
         HN    79  LEU   QD1   5.40  
         HN    79  LEU   QD2   5.00  
         HN    80  HIS   HN    4.60  
         HN    84  ARG+  HE    6.00  
         HA    79  LEU   QB    4.90  
         HA    79  LEU   HG    5.00  
         HA    79  LEU   QD1   3.70  
         HA    79  LEU   QD2   4.90  
         HA    80  HIS   HN    2.90  
         HA    80  HIS   HB2   5.00  
         HA    80  HIS   HB3   5.30  
         QB    79  LEU   QD1   5.30  
         QB    79  LEU   QD2   5.30  
         QB    80  HIS   HN    5.50  
         HG    79  LEU   QD1   3.50  
         HG    79  LEU   QD2   3.50  
         HG    80  HIS   HN    4.50  
         HG    83  ASP-  HN    4.50  
         HG    83  ASP-  HB3   3.80  
         HG    84  ARG+  HN    5.90  
         HG    84  ARG+  HE    5.80  
         QD1   80  HIS   HN    3.90  
         QD1   83  ASP-  HN    5.40  
         QD1   83  ASP-  HA    5.70  
         QD1   83  ASP-  HB2   4.80  
         QD2   80  HIS   HN    5.20  
         QD2   83  ASP-  HN    5.30  
         QD2   83  ASP-  HA    6.00  
         QD2   83  ASP-  HB2   7.00  
         QD2   83  ASP-  HB3   4.10  
         QD2   84  ARG+  HA    4.10  
         QD2   84  ARG+  HE    5.20  
 80 HIS  
         HN    80  HIS   HA    3.10  
         HN    80  HIS   HB2   3.10  
         HN    80  HIS   HB3   3.50  
         HN    80  HIS   HD2   5.30  
         HA    80  HIS   HB2   3.70  
         HA    80  HIS   HB3   3.90  
         HA    80  HIS   HD2   4.10  
         HA    81  PRO   QG    4.40  
         HA    82  ASP-  HN    5.30  
         HA    83  ASP-  HB3   5.70  
         HA    84  ARG+  HE    6.00  
         HB2   80  HIS   HD2   3.80  
         HB2   82  ASP-  HN    4.20  
         HB3   80  HIS   HD2   4.20  
         HB3   82  ASP-  HN    4.20  
         HB3   83  ASP-  HN    3.50  
         HD2   80  HIS   HE1   4.80  
         HE1   81  PRO   QG    5.50  
         HE1   82  ASP-  HN    4.00  
         HE1   82  ASP-  HA    5.30  
         HE1   82  ASP-  HB2   4.00  
         HE1   82  ASP-  HB3   3.70  
         HE1   83  ASP-  HN    6.00  
 81 PRO  
         HA    81  PRO   HB2   2.60  
         HA    81  PRO   HB3   2.70  
         HA    81  PRO   QG    4.80  
         HA    82  ASP-  HN    4.10  
         HA    83  ASP-  HN    4.20  
         HA    84  ARG+  HN    4.10  
         HA    84  ARG+  HB3   4.30  
         HA    84  ARG+  HE    3.80  
         HB2   81  PRO   QG    3.90  
         HB2   82  ASP-  HN    4.90  
         HB2   84  ARG+  HE    3.90  
         HB3   81  PRO   QG    5.20  
         HB3   82  ASP-  HN    3.80  
         HB3   82  ASP-  HA    4.50  
         QG    82  ASP-  HN    5.50  
         QG    82  ASP-  HB3   7.00  
 82 ASP- 
         HN    82  ASP-  HA    3.10  
         HN    82  ASP-  HB2   3.10  
         HN    82  ASP-  HB3   3.70  
         HN    83  ASP-  HN    3.00  
         HN    83  ASP-  HA    6.00  
         HN    83  ASP-  HB2   5.30  
         HN    84  ARG+  HN    4.40  
         HA    82  ASP-  HB2   3.10  
         HA    82  ASP-  HB3   3.10  
         HA    83  ASP-  HN    3.60  
         HA    84  ARG+  HN    5.30  
         HB2   83  ASP-  HN    3.70  
 83 ASP- 
         HN    83  ASP-  HA    3.50  
         HN    83  ASP-  HB2   3.40  
         HN    83  ASP-  HB3   2.90  
         HN    84  ARG+  HN    2.80  
         HN    84  ARG+  HB3   4.30  
         HA    83  ASP-  HB2   2.90  
         HA    83  ASP-  HB3   3.00  
         HA    84  ARG+  HN    4.00  
         HB2   84  ARG+  HN    4.30  
         HB3   84  ARG+  HN    3.30  
         HB3   84  ARG+  HE    4.20  
 84 ARG+ 
         HN    84  ARG+  HA    3.30  
         HN    84  ARG+  HB2   3.60  
         HN    84  ARG+  HB3   3.90  
         HN    84  ARG+  HE    5.20  
         HA    84  ARG+  HB2   2.90  
         HA    84  ARG+  HB3   3.30  
         HA    84  ARG+  HE    5.40  
         HB2   84  ARG+  HE    4.90  
         HB3   84  ARG+  HE    4.80  
117 HEM  
         HAP71 201 HEM   HAP72 2.50  
         HAP71 201 HEM   HBP73 3.00  
         HAP71 201 HEM   HBP74 2.50  
         HAP71 201 HEM   QM8   4.20  
         HAP71 201 HEM   HGM   3.20  
         HAP72 201 HEM   HBP73 3.10  
         HAP72 201 HEM   HBP74 2.50  
         HAP72 201 HEM   QM8   3.50  
         HAP72 201 HEM   HGM   4.20  
         HBP73 201 HEM   HBP74 2.50  
         HBP73 201 HEM   HGM   4.10  
         HBP74 201 HEM   HGM   3.30  
         QM8   201 HEM   HDM   3.60  
         QM8   201 HEM   QM1   5.40  
         HDM   201 HEM   QM1   3.50  
         QM1   201 HEM   HV2A  4.30  
         QM1   201 HEM   HV2T  5.40  
         QM1   201 HEM   HV2C  4.20  
         HV2A  201 HEM   HV2T  2.90  
         HV2A  201 HEM   HV2C  3.00  
         HV2A  201 HEM   HAM   3.20  
         HV2T  201 HEM   HV2C  2.50  
         HV2C  201 HEM   HAM   3.30  
         HAM   201 HEM   QM3   3.50  
         QM3   201 HEM   HV4A  4.20  
         QM3   201 HEM   HV4T  3.80  
         HBM   201 HEM   QM5   3.60  
         QM5   201 HEM   HAP61 3.50  
         QM5   201 HEM   HAP62 4.60  
         QM5   201 HEM   HBP63 4.40  
         QM5   201 HEM   HBP64 4.80  
         HGM   201 HEM   HAP61 3.80  
         HGM   201 HEM   HAP62 3.50  
         HGM   201 HEM   HBP64 4.40  
         HAP61 201 HEM   HBP63 2.90  
         HAP61 201 HEM   HBP64 2.70  
         HAP62 201 HEM   HBP63 2.80  
         HAP62 201 HEM   HBP64 2.60  
         HBP63 201 HEM   HBP64 2.50  







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