NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type subtype subsubtype
9306 1nor 5690 cing recoord 1-original 9 DYANA/DIANA distance NOE simple


#   
#  This data include all upper limit interproton distance and torsion 
#  angle restraints in DIANA format. Inerproton distance restraints have 
#  FORMAT(I3,1X,2A5,I4,1X,2A5,F7.2) and the correspondent records contain 
#  residue number, residue name and atom name of the first and second atom, 
#  respectively, and the distance limit in Angstroms. Torsion angle restraints 
#  have FORMAT(I4,1X,A5,1X,A5,2F8.1) and the correspondent records contain the 
#  residue number, the residue name, the dihedral angle name, and lower and 
#  upper bounds of the allowed interval in degrees.
#
#     
#-----------------------------------------------------------------------
#   Upper proton-proton distance limits for DIANA derived from MARDIGRAS  
  1 LEU  QB      1 LEU  HA      3.16 
  1 LEU  QD1     1 LEU  HA      4.03 
  1 LEU  QD2     1 LEU  HA      3.27 
  2 GLU  HN      1 LEU  HA      2.48 
  2 GLU  HN      1 LEU  QD2     4.20 
  2 GLU  QB      2 GLU  HN      6.31 
  2 GLU  HG2     2 GLU  HA      3.05 
  3 CYS  HN      2 GLU  HA      2.23 
  3 CYS  HN      2 GLU  HG2     4.45 
  3 CYS  HB2     3 CYS  HN      3.02 
  3 CYS  HB2     3 CYS  HA      3.57 
  3 CYS  HB3     3 CYS  HA      2.84 
  4 HIS  HN      3 CYS  HA      2.86 
  4 HIS  HN      3 CYS  HB3     3.52 
  4 HIS  HA      4 HIS  HN      4.99 
  4 HIS  HB2     4 HIS  HN      2.91 
  4 HIS  HB2     4 HIS  HA      3.62 
  4 HIS  HB3     4 HIS  HA      2.73 
  4 HIS  HD2     3 CYS  HA      6.38 
  4 HIS  HD2     4 HIS  HN      4.64 
  4 HIS  HD2     4 HIS  HA      5.61 
  4 HIS  HD2     4 HIS  HB2     3.55 
  5 ASN  HN      4 HIS  HA      2.83 
  5 ASN  HN      4 HIS  HB3     4.62 
  5 ASN  HB2     5 ASN  HN      4.26 
  5 ASN  HB2     5 ASN  HA      2.69 
  5 ASN  HB3     5 ASN  HN      5.89 
  5 ASN  HB3     5 ASN  HA      2.77 
  5 ASN  HD21    5 ASN  HB3     2.77 
  6 GLN  HN      5 ASN  HN      2.62 
  6 GLN  QB      6 GLN  HN      4.14 
  6 GLN  QG      5 ASN  HN      6.17 
  6 GLN  QG      6 GLN  HN      4.41 
  6 GLN  HE21    6 GLN  QB      3.94 
  6 GLN  HE21    6 GLN  QG      4.04 
  6 GLN  HE22    6 GLN  QB      4.59 
  6 GLN  HE22    6 GLN  QG      6.08 
  7 GLN  HN      6 GLN  HA      2.30 
  7 GLN  HN      6 GLN  QB      3.09 
  7 GLN  HB2     7 GLN  HN      2.82 
  7 GLN  HB2     7 GLN  HA      3.03 
  8 SER  HA      8 SER  HN      2.73 
  8 SER  HB2     8 SER  HN      4.00 
  8 SER  HB3     8 SER  HA      3.02 
  9 SER  HN      8 SER  HA      3.57 
  9 SER  HN      8 SER  HB3     2.69 
  9 SER  HA      9 SER  HN      3.34 
  9 SER  HB2     9 SER  HA      3.65 
 10 GLN  HN      6 GLN  QB      5.66 
 10 GLN  HN      9 SER  HN      2.80 
 10 GLN  HN      9 SER  HA      4.08 
 10 GLN  HA     10 GLN  HN      3.04 
 10 GLN  HB2    10 GLN  HN      2.66 
 10 GLN  HB3    10 GLN  HA      2.75 
 10 GLN  HG2    10 GLN  HN      3.21 
 10 GLN  HG2    10 GLN  HA      3.14 
 10 GLN  HG3     9 SER  HN      4.82 
 10 GLN  HG3    10 GLN  HA      3.87 
 10 GLN  HE22   10 GLN  HG3     4.06 
 11 PRO  HD2    10 GLN  HA      2.89 
 11 PRO  HD2    10 GLN  HB3     2.51 
 11 PRO  HD3    10 GLN  HA      2.42 
 11 PRO  HB2    11 PRO  HD2     3.49 
 11 PRO  HB3    11 PRO  HD2     3.66 
 11 PRO  HB3    11 PRO  HA      2.93 
 11 PRO  HG2    11 PRO  HD2     2.62 
 11 PRO  HG2    11 PRO  HA      5.07 
 11 PRO  HG3    11 PRO  HD3     2.14 
 12 PRO  HD2    11 PRO  HA      2.72 
 12 PRO  HA      6 GLN  QB      4.45 
 12 PRO  HA      6 GLN  QG      3.53 
 12 PRO  HA      6 GLN  HE22    3.41 
 12 PRO  QB      4 HIS  HE1     3.37 
 12 PRO  HG3    12 PRO  HD3     2.45 
 13 THR  HN      6 GLN  HN      4.55 
 13 THR  HN      6 GLN  QG      3.74 
 13 THR  HN     12 PRO  HA      2.32 
 13 THR  HN     12 PRO  QB      4.39 
 13 THR  QG2    13 THR  HN      5.32 
 13 THR  QG2    13 THR  HA      2.83 
 14 THR  HN     13 THR  HB      3.06 
 14 THR  HA      4 HIS  HA      2.17 
 14 THR  HB      2 GLU  HG2     4.57 
 14 THR  HB      2 GLU  HG3     3.55 
 14 THR  HB      4 HIS  HA      4.55 
 14 THR  HB     14 THR  HN      3.64 
 14 THR  HB     14 THR  HA      2.78 
 14 THR  QG2     4 HIS  HE1     6.13 
 14 THR  QG2    14 THR  HN      5.18 
 14 THR  QG2    14 THR  HA      3.19 
 15 LYS+ HN     14 THR  HB      3.17 
 15 LYS+ HN     14 THR  QG2     5.36 
 15 LYS+ HA     15 LYS  HN      3.53 
 15 LYS+ HB3     5 ASN  HD21    3.33 
 15 LYS+ HB3    15 LYS  HA      2.63 
 15 LYS+ QG     15 LYS  HA      4.65 
 16 THR  HN     15 LYS+ HA      2.90 
 16 THR  HN     15 LYS+ HB3     2.69 
 16 THR  HA      2 GLU  HA      2.20 
 16 THR  HB     16 THR  HN      2.80 
 17 CYS  HN     16 THR  HB      4.84 
 17 CYS  HB2     1 LEU  QD1     5.01 
 17 CYS  HB2    17 CYS  HN      2.74 
 17 CYS  HB2    17 CYS  HA      3.56 
 17 CYS  HB3    17 CYS  HA      2.83 
 18 SER  HN     17 CYS  HA      4.84 
 18 SER  HN     17 CYS  HB2     5.76 
 18 SER  HN     17 CYS  HB3     3.98 
 18 SER  HA     18 SER  HN      4.41 
 18 SER  HB2    18 SER  HN      3.54 
 18 SER  HB2    18 SER  HA      3.12 
 18 SER  HB3    18 SER  HN      4.48 
 18 SER  HB3    18 SER  HA      3.05 
 19 GLY  HN     18 SER  HA      2.86 
 19 GLY  HA1    19 GLY  HN      4.11 
 19 GLY  HA2    19 GLY  HN      2.90 
 20 GLU  HN     19 GLY  HN      3.56 
 20 GLU  HG2    20 GLU  HA      2.59 
 21 THR  QG2    21 THR  HN      4.01 
 22 ASN  HN      1 LEU  QD1     5.62 
 22 ASN  HA      1 LEU  QD1     4.10 
 22 ASN  HA      1 LEU  QD2     4.58 
 22 ASN  HA     22 ASN  HN      4.96 
 22 ASN  HB2    22 ASN  HA      4.08 
 22 ASN  HB3    22 ASN  HN      4.92 
 22 ASN  HB3    22 ASN  HA      2.53 
 22 ASN  HD21   21 THR  HB      4.94 
 22 ASN  HD21   22 ASN  HA      4.32 
 22 ASN  HD21   22 ASN  HB2     2.75 
 22 ASN  HD22   22 ASN  HA      4.00 
 23 CYS  HN      1 LEU  QD1     6.92 
 23 CYS  HN     22 ASN  HA      2.48 
 23 CYS  HN     22 ASN  HB3     2.84 
 23 CYS  HA     23 CYS  HN      3.71 
 23 CYS  HB2    23 CYS  HA      4.07 
 23 CYS  HB3    23 CYS  HA      2.76 
 24 TYR  HN     23 CYS  HA      2.52 
 24 TYR  HN     23 CYS  HB3     3.09 
 24 TYR  HA     24 TYR  HN      2.91 
 24 TYR  HB2    24 TYR  HA      2.73 
 24 TYR  HB3    24 TYR  HA      2.42 
 24 TYR  QR     24 TYR  HB2     5.88 
 24 TYR  QR     24 TYR  HB3     5.45 
 25 LYS+ HN     24 TYR  HB2     3.00 
 25 LYS+ HA     24 TYR  QR      6.48 
 25 LYS+ QB     24 TYR  HA      5.69 
 25 LYS+ HG2    25 LYS  HA      2.62 
 25 LYS+ QE     25 LYS  HG2     2.85 
 26 LYS+ HN     25 LYS  HG2     4.04 
 26 LYS+ HA     26 LYS  HN      3.66 
 26 LYS+ QB     24 TYR  QR      6.35 
 27 TRP  HB2    27 TRP  HA      2.50 
 27 TRP  HB3    27 TRP  HA      2.71 
 27 TRP  HD1    27 TRP  HB2     3.16 
 27 TRP  HD1    27 TRP  HB3     4.57 
 27 TRP  HE3    27 TRP  HB3     2.99 
 27 TRP  HE1    27 TRP  HD1     2.75 
 27 TRP  HZ3    25 LYS+ HG2     3.63 
 27 TRP  HZ2    27 TRP  HE1     3.20 
 28 TRP  HN     27 TRP  HA      2.48 
 28 TRP  HB2    28 TRP  HA      2.31 
 28 TRP  HB3    28 TRP  HN      5.97 
 28 TRP  HB3    28 TRP  HA      3.13 
 28 TRP  HD1    28 TRP  HA      6.60 
 28 TRP  HD1    28 TRP  HB2     3.02 
 28 TRP  HD1    28 TRP  HB3     4.08 
 28 TRP  HE3    26 LYS+ QB      6.92 
 28 TRP  HE3    27 TRP  HA      3.08 
 28 TRP  HE3    28 TRP  HN      3.50 
 28 TRP  HE3    28 TRP  HB2     4.31 
 28 TRP  HE3    28 TRP  HB3     3.18 
 28 TRP  HE1    28 TRP  HD1     2.74 
 28 TRP  HZ2    28 TRP  HE1     3.09 
 29 SER  HB2    29 SER  HA      3.24 
 29 SER  HB3    29 SER  HA      2.87 
 30 ASP  HB2    28 TRP  HD1     4.47 
 30 ASP  HB2    28 TRP  HE1     5.01 
 30 ASP  HB2    30 ASP  HA      2.60 
 30 ASP  HB3    28 TRP  HE1     6.36 
 30 ASP  HB3    30 ASP  HA      2.92 
 31 HIS  HN     30 ASP  HA      4.88 
 31 HIS  HN     30 ASP  HB2     4.17 
 31 HIS  HN     30 ASP  HB3     2.93 
 31 HIS  HA     31 HIS  HN      3.05 
 31 HIS  QB     31 HIS  HN      6.86 
 31 HIS  QB     31 HIS  HA      3.41 
 32 ARG+ HN     31 HIS  HN      3.42 
 32 ARG+ HN     31 HIS  HA      4.27 
 32 ARG+ HN     31 HIS  QB      2.57 
 32 ARG+ HA     32 ARG  HN      3.08 
 32 ARG+ HB2    32 ARG  HN      3.02 
 32 ARG+ HB2    32 ARG  HA      3.37 
 32 ARG+ HB3    32 ARG  HN      4.95 
 32 ARG+ HG2    32 ARG  HN      3.37 
 32 ARG+ HG2    32 ARG  HA      4.67 
 32 ARG+ HG3    32 ARG  HN      4.97 
 32 ARG+ HG3    32 ARG  HA      3.36 
 32 ARG+ HE     32 ARG  HB2     3.57 
 32 ARG+ HE     32 ARG  HG2     3.89 
 32 ARG+ HE     32 ARG  QD      4.63 
 33 GLY  HN     30 ASP  HN      3.65 
 33 GLY  HN     31 HIS  HA      6.05 
 33 GLY  HN     32 ARG+ HN      2.83 
 33 GLY  HN     32 ARG+ HA      3.40 
 33 GLY  HN     32 ARG+ HB3     3.60 
 33 GLY  HA1    33 GLY  HN      3.13 
 33 GLY  HA2    33 GLY  HN      3.23 
 34 THR  HN     33 GLY  HA1     3.06 
 34 THR  HN     33 GLY  HA2     2.85 
 34 THR  HA     29 SER  HA      2.28 
 34 THR  HA     34 THR  HN      4.86 
 34 THR  HB     34 THR  HN      2.97 
 34 THR  HB     34 THR  HA      3.11 
 34 THR  QG2    27 TRP  HD1     4.05 
 35 ILE  HB     28 TRP  HZ2     4.81 
 35 ILE  HB     35 ILE  HA      3.43 
 35 ILE  QG2    28 TRP  HZ2     4.84 
 35 ILE  QG2    28 TRP  HH2     4.29 
 35 ILE  QG2    35 ILE  HN      5.76 
 35 ILE  QG2    35 ILE  HA      3.33 
 35 ILE  HG12   28 TRP  HE1     4.05 
 35 ILE  HG12   28 TRP  HZ2     3.97 
 35 ILE  HG12   35 ILE  HA      3.24 
 35 ILE  HG13   35 ILE  HA      3.67 
 35 ILE  QD1    35 ILE  QG2     6.27 
 36 ILE  HN      8 SER  HN      3.60 
 36 ILE  HN      8 SER  HA      3.77 
 36 ILE  HN     35 ILE  HA      2.31 
 36 ILE  HN     35 ILE  QG2     4.09 
 36 ILE  HA     27 TRP  HA      2.70 
 36 ILE  HA     36 ILE  HN      3.44 
 36 ILE  HB      8 SER  HN      3.10 
 36 ILE  HB      8 SER  HA      2.57 
 36 ILE  HB     36 ILE  HN      3.65 
 36 ILE  QG2     8 SER  HA      4.32 
 36 ILE  HG12    8 SER  HA      3.17 
 36 ILE  QD1     8 SER  HA      6.03 
 36 ILE  QD1    36 ILE  HN      5.99 
 37 GLU  HN     26 LYS+ HN      3.44 
 37 GLU  HN     27 TRP  HA      4.61 
 37 GLU  HN     28 TRP  HN      7.00 
 37 GLU  HA      7 GLN  HA      3.27 
 37 GLU  HA     37 GLU  HN      4.28 
 37 GLU  HB2    28 TRP  HH2     4.94 
 37 GLU  HB3    37 GLU  HN      3.82 
 37 GLU  HB3    37 GLU  HA      2.84 
 37 GLU  HG2    37 GLU  HA      3.18 
 38 ARG+ HN     37 GLU  HA      2.81 
 38 ARG+ HN     37 GLU  HB3     3.63 
 38 ARG+ HN     37 GLU  HG2     4.50 
 38 ARG+ HA     25 LYS+ HA      2.51 
 38 ARG+ HA     26 LYS+ QG      3.59 
 39 GLY  HN     25 LYS+ HA      3.97 
 39 GLY  HN     38 ARG+ HA      2.56 
 40 CYS  HA     23 CYS  HA      2.81 
 40 CYS  HA     40 CYS  HN      3.55 
 40 CYS  HB2    40 CYS  HN      2.60 
 40 CYS  HB3    23 CYS  HA      5.56 
 41 GLY  HN     20 GLU  HG2     3.92 
 41 GLY  HN     20 GLU  HG3     4.31 
 41 GLY  HN     23 CYS  HA      3.17 
 41 GLY  HN     40 CYS  HA      2.50 
 41 GLY  HN     40 CYS  HB3     3.25 
 41 GLY  HA1    20 GLU  HG3     3.01 
 41 GLY  HA1    41 GLY  HN      2.96 
 41 GLY  HA2    41 GLY  HN      3.57 
 42 CYS  HN     41 GLY  HN      6.62 
 42 CYS  HN     41 GLY  HA1     3.29 
 42 CYS  HN     41 GLY  HA2     2.80 
 42 CYS  HA     24 TYR  HB3     2.89 
 42 CYS  HA     42 CYS  HN      3.88 
 42 CYS  HB2    22 ASN  HD21    6.17 
 42 CYS  HB2    22 ASN  HD22    5.81 
 42 CYS  HB2    42 CYS  HA      2.87 
 42 CYS  HB3    42 CYS  HN      3.71 
 43 PRO  HD2    24 TYR  HB3     3.64 
 43 PRO  HD2    24 TYR  QR      5.18 
 43 PRO  HD2    42 CYS  HN      4.54 
 43 PRO  HD2    42 CYS  HA      3.08 
 43 PRO  HD3    42 CYS  HN      4.50 
 43 PRO  HD3    42 CYS  HA      2.30 
 43 PRO  HA     43 PRO  HD2     3.99 
 43 PRO  HA     43 PRO  HD3     3.84 
 43 PRO  HB2    43 PRO  HA      2.52 
 43 PRO  HB3    43 PRO  HA      2.88 
 43 PRO  HG2    24 TYR  QR      6.52 
 43 PRO  HG2    43 PRO  HD2     2.53 
 43 PRO  HG2    43 PRO  HB2     3.07 
 43 PRO  HG3    43 PRO  HD3     2.51 
 43 PRO  HG3    43 PRO  HB3     2.86 
 44 LYS+ HN     43 PRO  HA      2.42 
 44 LYS+ HN     43 PRO  HB2     3.96 
 44 LYS+ HA     44 LYS  HN      3.20 
 44 LYS+ HG2    44 LYS  HN      4.94 
 44 LYS+ HG2    44 LYS  HA      3.59 
 45 VAL  HN     44 LYS+ HA      2.09 
 45 VAL  HN     44 LYS+ HG2     6.39 
 45 VAL  HA     45 VAL  HN      3.38 
 46 LYS+ HN     45 VAL  HA      2.38 
 46 LYS+ HA     46 LYS  HN      3.59 
 46 LYS+ QB     46 LYS  HN      3.65 
 46 LYS+ QB     46 LYS  HA      3.43 
 46 LYS+ HG2    46 LYS  HN      3.26 
 46 LYS+ HG2    46 LYS  HA      3.55 
 46 LYS+ HG3    46 LYS  HN      4.22 
 46 LYS+ HG3    46 LYS  HA      2.81 
 47 PRO  HD2    46 LYS+ HG3     2.50 
 47 PRO  HB2    47 PRO  HD2     3.39 
 47 PRO  HB2    47 PRO  HA      4.41 
 47 PRO  HG3    47 PRO  HD2     2.82 
 48 GLY  HN     47 PRO  HA      2.43 
 48 GLY  HN     47 PRO  HB2     6.14 
 48 GLY  HA1    48 GLY  HN      2.75 
 49 VAL  HN     47 PRO  HA      3.76 
 49 VAL  HN     48 GLY  HN      2.99 
 49 VAL  HN     48 GLY  HA1     3.54 
 49 VAL  HN     48 GLY  HA2     3.54 
 49 VAL  HA     28 TRP  HB2     4.37 
 49 VAL  HA     28 TRP  HB3     3.35 
 49 VAL  HA     49 VAL  HN      2.98 
 49 VAL  HB     49 VAL  HN      2.58 
 49 VAL  HB     49 VAL  HA      3.21 
 49 VAL  QG1    28 TRP  HB2     6.77 
 49 VAL  QG1    28 TRP  HB3     4.16 
 49 VAL  QG1    49 VAL  HN      4.85 
 49 VAL  QG1    49 VAL  HA      3.35 
 49 VAL  QG2    28 TRP  HB2     4.89 
 49 VAL  QG2    28 TRP  HB3     4.62 
 49 VAL  QG2    28 TRP  HE3     5.95 
 49 VAL  QG2    46 LYS+ HN      6.08 
 49 VAL  QG2    49 VAL  HN      3.67 
 49 VAL  QG2    49 VAL  HA      3.06 
 50 ASN  HN     27 TRP  HN      3.82 
 50 ASN  HN     28 TRP  HB3     5.25 
 50 ASN  HN     49 VAL  HA      2.40 
 50 ASN  HN     49 VAL  QG1     3.60 
 50 ASN  HN     49 VAL  QG2     5.71 
 50 ASN  HA     50 ASN  HN      3.33 
 50 ASN  HB2    27 TRP  HN      3.87 
 50 ASN  HB2    50 ASN  HN      2.88 
 50 ASN  HB2    50 ASN  HA      3.34 
 50 ASN  HB3    27 TRP  HN      3.88 
 50 ASN  HB3    27 TRP  HD1     5.75 
 50 ASN  HB3    50 ASN  HA      2.68 
 50 ASN  HD21   50 ASN  HB3     4.80 
 50 ASN  HD22   27 TRP  HD1     3.65 
 50 ASN  HD22   27 TRP  HE1     5.21 
 51 LEU  HN     50 ASN  HA      2.38 
 51 LEU  HN     50 ASN  HB3     3.24 
 51 LEU  HA     26 LYS+ HA      2.54 
 51 LEU  HA     27 TRP  HZ3     4.44 
 51 LEU  HA     51 LEU  HN      3.67 
 51 LEU  HB2    26 LYS+ HA      4.52 
 51 LEU  HB2    51 LEU  HN      3.09 
 51 LEU  HB2    51 LEU  HA      2.62 
 51 LEU  HB3    51 LEU  HN      3.96 
 51 LEU  HB3    51 LEU  HA      3.30 
 51 LEU  HG     51 LEU  HA      3.54 
 52 ASN  HN     26 LYS+ HA      3.64 
 52 ASN  HN     27 TRP  HZ3     3.06 
 52 ASN  HN     51 LEU  HN      7.00 
 52 ASN  HN     51 LEU  HA      2.38 
 52 ASN  HA     27 TRP  HZ3     5.04 
 52 ASN  HA     52 ASN  HN      3.17 
 52 ASN  QB     25 LYS+ HN      5.38 
 52 ASN  QB     27 TRP  HZ3     3.98 
 52 ASN  QB     27 TRP  HZ2     6.54 
 52 ASN  QB     52 ASN  HN      3.61 
 52 ASN  HD21   52 ASN  HA      4.80 
 53 CYS  HN     52 ASN  HA      2.37 
 53 CYS  HN     52 ASN  QB      5.35 
 53 CYS  HA     24 TYR  HA      2.60 
 53 CYS  HA     24 TYR  HB2     4.73 
 53 CYS  HA     24 TYR  HB3     4.05 
 53 CYS  HA     25 LYS+ HN      4.88 
 53 CYS  HA     53 CYS  HN      3.98 
 53 CYS  HB2    53 CYS  HN      3.08 
 53 CYS  HB2    53 CYS  HA      3.46 
 53 CYS  HB3    42 CYS  HB2     2.85 
 53 CYS  HB3    53 CYS  HA      2.65 
 54 CYS  HN     22 ASN  HB3     4.91 
 54 CYS  HN     24 TYR  HA      4.78 
 54 CYS  HN     25 LYS+ HN      5.35 
 54 CYS  HN     53 CYS  HA      2.58 
 54 CYS  HN     53 CYS  HB2     5.02 
 54 CYS  HN     53 CYS  HB3     3.46 
 54 CYS  HA     54 CYS  HN      3.17 
 54 CYS  HB2    54 CYS  HA      2.81 
 54 CYS  HB3    54 CYS  HA      2.64 
 55 ARG+ HN     54 CYS  HA      2.46 
 55 ARG+ HN     54 CYS  HB2     2.89 
 55 ARG+ HN     54 CYS  HB3     3.62 
 55 ARG+ HA      1 LEU  QD1     6.45 
 55 ARG+ HA      1 LEU  QD2     5.79 
 55 ARG+ HA     22 ASN  HA      2.53 
 55 ARG+ HA     23 CYS  HN      5.42 
 55 ARG+ HA     55 ARG  HN      4.01 
 55 ARG+ HB2    55 ARG  HN      2.98 
 55 ARG+ HB3    55 ARG  HN      3.70 
 55 ARG+ HB3    55 ARG  HA      2.64 
 55 ARG+ HG2    55 ARG  HN      4.22 
 55 ARG+ HG3    22 ASN  HA      3.74 
 55 ARG+ HG3    54 CYS  HA      4.47 
 55 ARG+ HG3    55 ARG  HN      2.77 
 55 ARG+ HG3    55 ARG  HA      2.83 
 55 ARG+ QD     55 ARG  HG2     3.52 
 55 ARG+ QD     55 ARG  HG3     4.41 
 55 ARG+ HE     55 ARG  HG3     3.80 
 55 ARG+ HE     55 ARG  QD      3.95 
 56 THR  HN     55 ARG+ HN      2.97 
 56 THR  HN     55 ARG+ HA      3.50 
 56 THR  HA      1 LEU  QD2     4.43 
 56 THR  HA     56 THR  HN      3.60 
 56 THR  HB     56 THR  HA      2.49 
 56 THR  QG2    56 THR  HN      3.89 
 56 THR  QG2    56 THR  HA      3.02 
 57 ASP  HN      1 LEU  QD2     6.06 
 57 ASP  HN     56 THR  HA      3.66 
 57 ASP  HN     56 THR  HB      2.88 
 57 ASP  HN     56 THR  QG2     6.70 
 57 ASP  HA      1 LEU  QD1     5.64 
 57 ASP  HA      1 LEU  QD2     3.26 
 57 ASP  HB2    57 ASP  HN      2.90 
 57 ASP  HB2    57 ASP  HA      3.58 
 58 ARG+ HN      3 CYS  HA      3.67 
 58 ARG+ HN     57 ASP  HN      5.25 
 58 ARG+ HN     57 ASP  HA      2.67 
 58 ARG+ HA      3 CYS  HA      2.94 
 58 ARG+ HA     58 ARG  HN      2.47 
 58 ARG+ HB2     4 HIS  HD2     3.71 
 58 ARG+ HB2    58 ARG  HN      4.57 
 58 ARG+ HB3    58 ARG  HN      6.22 
 58 ARG+ HB3    58 ARG  HA      3.10 
 58 ARG+ HG2     4 HIS  HD2     6.32 
 58 ARG+ HG2     4 HIS  HE1     5.58 
 58 ARG+ HG2    58 ARG  HN      4.60 
 58 ARG+ HG2    58 ARG  HA      2.98 
 58 ARG+ HD2     4 HIS  HD2     6.67 
 58 ARG+ HD2     4 HIS  HE1     5.71 
 58 ARG+ HD3     4 HIS  HE1     3.99 
 58 ARG+ HD3     6 GLN  HE22    4.53 
 58 ARG+ HD3    58 ARG  HG2     2.56 
 58 ARG+ HE     58 ARG  HB2     4.73 
 58 ARG+ HE     58 ARG  HB3     4.95 
 58 ARG+ HE     58 ARG  HG2     5.13 
 58 ARG+ HE     58 ARG  HG3     6.55 
 58 ARG+ HE     58 ARG  HD2     3.18 
 59 CYS  HN     58 ARG+ HN      3.85 
 59 CYS  HN     58 ARG+ HA      3.53 
 59 CYS  HA     59 CYS  HN      3.16 
 59 CYS  HB2    59 CYS  HN      4.19 
 59 CYS  HB2    59 CYS  HA      2.85 
 59 CYS  HB3    56 THR  HN      3.10 
 59 CYS  HB3    59 CYS  HN      2.98 
 59 CYS  HB3    59 CYS  HA      2.60 
 60 ASN  HN      4 HIS  HD2     3.43 
 60 ASN  HN     59 CYS  HN      3.45 
 60 ASN  HN     59 CYS  HA      4.92 
 60 ASN  HB2    60 ASN  HA      3.07 
 60 ASN  HB3    60 ASN  HA      2.41 
 60 ASN  HD21   23 CYS  HB3     3.74 
 60 ASN  HD21   39 GLY  HN      2.88 
 60 ASN  HD21   60 ASN  HB2     2.51 
 60 ASN  HD22    3 CYS  HB3     2.62 
 60 ASN  HD22   23 CYS  HB2     3.53 
 60 ASN  HD22   23 CYS  HB3     3.83 
 60 ASN  HD22   38 ARG+ QB      5.49 
 60 ASN  HD22   39 GLY  HN      3.23 
 60 ASN  HD22   60 ASN  HB3     4.49 
 61 ASN  HN     25 LYS+ QE      3.49 
 61 ASN  HN     38 ARG+ HG2     3.17 
 61 ASN  HN     60 ASN  HN      3.76 
 61 ASN  HA      4 HIS  HD2     3.29 
 61 ASN  HA     38 ARG+ HE      2.93 
 61 ASN  HA     61 ASN  HN      3.11 
 61 ASN  HB2     4 HIS  HD2     3.91 
 61 ASN  HB2    61 ASN  HA      3.34 
 61 ASN  HB3     4 HIS  HD2     4.66 
 61 ASN  HB3    61 ASN  HN      3.35 
 61 ASN  HB3    61 ASN  HA      2.75 
 61 ASN  HD21   61 ASN  HB2     3.11 
 61 ASN  HD22   61 ASN  HB2     4.97



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