NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
575687 2mi2 19618 cing 1-original 3 DYANA/DIANA distance NOE simple


  2  PHE  HA      1  MET  H     2.50            
  2  PHE  HB3     3  ASP  H     2.00            
  2  PHE  HB2     3  ASP  H     2.00            
  2  PHE  HB2     4  ILE  HG12  4.00            
  2  PHE  HB3     4  ILE  HG12  4.50            
  2  PHE  HB2     4  ILE  HG13  4.00            
  2  PHE  HZ      4  ILE  QD1   3.50            
  4  ILE  QD1     7  SER  QB    3.50            
  6  PHE  HB2     9  LEU  QQD   3.00            
  6  PHE  QD      7  SER  QB    4.00  #QB         
  8  GLU  HB2     5  GLY  H     3.50            
  8  GLU  H      12  VAL  QG2   3.50            
  9  LEU  QQD    11  LEU  H     4.01            
  9  LEU  HG     13  PHE  QD    4.01            
 10  LEU  H       7  SER  QB    4.00  #QB         
 10  LEU  H       9  LEU  HG    2.50            
 10  LEU  H      12  VAL  QG2   3.52            
 10  LEU  HA     12  VAL  H     3.00            
 10  LEU  HA     14  ILE  QG2   4.52            
 10  LEU  HA     14  ILE  QD1   3.01            
 10  LEU  QB     14  ILE  QG2   3.50            
 10  LEU  QB     14  ILE  QD1   2.50            
 11  LEU  HG     12  VAL  QG1   3.50            
 11  LEU  H      12  VAL  QQG   4.00  #comb_QQG         
 11  LEU  H      14  ILE  QD1   4.01            
 11  LEU  HG     14  ILE  QG2   3.00            
 11  LEU  HA     14  ILE  QD1   3.01            
 11  LEU  QB     15  ILE  QD1   3.00            
 11  LEU  HA     15  ILE  QD1   3.50            
 11  LEU  QB     15  ILE  QG2   4.01            
 12  VAL  HA     11  LEU  QB    3.00            
 12  VAL  H      15  ILE  QD1   3.51            
 13  PHE  HA     12  VAL  QG2   3.50            
 13  PHE  QD     12  VAL  QG2   4.52            
 13  PHE  QD     12  VAL  QG1   3.50            
 13  PHE  HA     14  ILE  QD1   3.50            
 13  PHE  QD     14  ILE  QG2   4.01            
 13  PHE  QD     14  ILE  QD1   3.00            
 13  PHE  HB2    17  LEU  QD2   4.00            
 14  ILE  H      10  LEU  QB    3.50            
 14  ILE  QD1    13  PHE  QE    3.00            
 14  ILE  HB     15  ILE  QG2   3.50            
 14  ILE  QD1    17  LEU  QB    3.00            
 15  ILE  HA     11  LEU  HG    4.01            
 15  ILE  HA     17  LEU  QD2   4.52            
 16  GLY  H      14  ILE  QG2   3.50            
 16  GLY  H      15  ILE  QG2   2.50            
 16  GLY  H      15  ILE  QD1   3.50            
 16  GLY  H      17  LEU  QD1   4.50            
 16  GLY  H      17  LEU  QB    3.50            
 16  GLY  H      17  LEU  QD2   4.50            
 16  GLY  H      19  VAL  QG2   4.50            
 17  LEU  QD2    13  PHE  QE    2.50            
 17  LEU  QD1    13  PHE  QE    2.50            
 17  LEU  H      14  ILE  QG1   4.51  #QG1         
 17  LEU  H      14  ILE  HB    3.51            
 17  LEU  H      15  ILE  QD1   4.01            
 17  LEU  H      18  VAL  HB    4.00            
 17  LEU  HA     19  VAL  QG2   4.00            
 17  LEU  H      20  LEU  QD2   4.00            
 18  VAL  H      14  ILE  QG2   2.50            
 18  VAL  HA     14  ILE  QG2   3.00            
 18  VAL  QG2    14  ILE  QG2   1.50            
 18  VAL  HB     15  ILE  QD1   4.00            
 18  VAL  HA     15  ILE  QD1   4.51            
 18  VAL  H      15  ILE  QD1   4.00            
 18  VAL  H      17  LEU  QD1   3.50            
 18  VAL  H      19  VAL  QG2   3.00            
 19  VAL  H      15  ILE  H     4.50            
 19  VAL  H      15  ILE  QG2   2.50            
 19  VAL  H      18  VAL  QG1   2.50            
 19  VAL  H      20  LEU  QD2   4.01            
 20  LEU  QD1    17  LEU  HA    4.01            
 20  LEU  H      17  LEU  QQD   4.00            
 19  VAL  H      17  LEU  QQD   4.00  #add_ov         
 20  LEU  QD1    19  VAL  H     4.01            
 21  GLY  H      20  LEU  QD2   3.50            
 21  GLY  H      20  LEU  HG    3.01            
 22  PRO  QG     21  GLY  QA    3.51  #QG_QA         
 23  GLN  HA     24  ARG  QG    3.00            
 24  ARG  HG2    27  VAL  QG1   2.50            
 24  ARG  HA     27  VAL  QG1   3.50            
 25  LEU  HA     26  PRO  HG2   3.51            
 25  LEU  H      26  PRO  QD    1.50            
 25  LEU  HA     26  PRO  QD    1.50            
 25  LEU  QD2    29  VAL  QG1   3.01            
 26  PRO  HA     30  LYS  HG3   2.50            
 26  PRO  QB     30  LYS  HG3   2.50            
 26  PRO  HA     30  LYS  HG2   2.50            
 26  PRO  QB     30  LYS  HG2   2.50            
 27  VAL  HB     24  ARG  HA    3.00            
 27  VAL  HB     24  ARG  HG2   3.51            
 27  VAL  H      28  ALA  QB    3.50            
 27  VAL  HB     28  ALA  QB    3.00            
 27  VAL  HB     28  ALA  HA    3.50            
 28  ALA  H      27  VAL  QG2   2.00            
 28  ALA  HA     31  THR  QG2   3.50            
 29  VAL  HA     28  ALA  QB    3.50            
 31  THR  QG2    28  ALA  QB    3.50            
 31  THR  HA     30  LYS  HG2   4.51            
 31  THR  QG2    32  VAL  QG2   2.50            
 31  THR  HA     32  VAL  QG1   4.00            
 32  VAL  HA     31  THR  QG2   3.00            
 32  VAL  H      31  THR  QG2   2.50            
 33  ALA  H      32  VAL  QG2   3.00            
 33  ALA  H      32  VAL  QG1   3.00            
 33  ALA  HA     36  ILE  QG2   3.00  #in_amb         
 34  GLY  H      31  THR  QG2   4.00            
 34  GLY  H      32  VAL  QG1   3.50            
 34  GLY  HA3    38  ALA  QB    3.50            
 35  TRP  HD1    31  THR  HA    4.00            
 35  TRP  HD1    31  THR  QG2   2.50            
 35  TRP  H      31  THR  QG2   3.50            
 35  TRP  HE3    31  THR  QG2   4.51            
 35  TRP  HH2    31  THR  QG2   4.01            
 35  TRP  HZ2    31  THR  QG2   4.01            
 35  TRP  HE1    31  THR  QG2   2.00            
 35  TRP  HZ3    32  VAL  HA    4.50            
 35  TRP  HD1    32  VAL  HA    4.00            
 35  TRP  HE3    32  VAL  HA    4.00            
 35  TRP  HE1    32  VAL  QG1   3.01            
 35  TRP  HH2    32  VAL  QG1   3.00            
 35  TRP  H      32  VAL  QG1   3.00            
 35  TRP  HD1    32  VAL  QG1   3.51            
 35  TRP  HE3    36  ILE  QG1   3.50  #comb_QG1         
 35  TRP  HH2    36  ILE  HG13  3.50            
 35  TRP  H      36  ILE  QD1   4.00            
 35  TRP  H      36  ILE  QG2   3.50            
 35  TRP  HH2    36  ILE  HA    4.50            
 35  TRP  HZ3    36  ILE  HG13  4.00            
 35  TRP  HD1    36  ILE  H     4.00            
 35  TRP  HE3    36  ILE  H     4.00            
 36  ILE  HG12   35  TRP  H     4.00            
 35  TRP  HE3    38  ALA  QB    4.01            
 35  TRP  HD1    38  ALA  QB    4.02            
 35  TRP  HA     38  ALA  QB    2.50            
 36  ILE  H      32  VAL  QG2   4.01            
 36  ILE  QG2    33  ALA  QB    3.50            
 36  ILE  HG13   33  ALA  QB    4.01            
 37  ARG  H      34  GLY  HA3   3.01            
 37  ARG  H      34  GLY  HA2   3.01            
 37  ARG  H      36  ILE  QG2   2.50            
 37  ARG  H      38  ALA  QB    2.50            
 38  ALA  H      36  ILE  QG2   3.50            
 39  LEU  HB3    36  ILE  QG2   4.01            
 39  LEU  QB     43  ALA  QB    3.51            
 40  ARG  HD2    36  ILE  QG2   3.50            
 40  ARG  HE     36  ILE  QG2   4.50            
 40  ARG  H      41  SER  HA    3.50            
 40  ARG  QB     43  ALA  H     3.00            
 41  SER  H      38  ALA  HA    2.00            
 41  SER  HA     42  LEU  HA    3.01            
 41  SER  HA     42  LEU  QB    3.50            
 41  SER  HA     44  THR  HB    2.50            
 42  LEU  QQD    39  LEU  H     3.50            
 42  LEU  QQD    39  LEU  HA    2.50            
 42  LEU  QQD    39  LEU  HB3   3.01            
 42  LEU  QQD    39  LEU  HB2   3.01            
 42  LEU  H      39  LEU  HG    3.50            
 42  LEU  H      40  ARG  HA    2.50            
 42  LEU  QQD    45  THR  H     3.00            
 43  ALA  HA     44  THR  QG2   4.01            
 43  ALA  HA     46  VAL  QQG   2.50            
 43  ALA  QB     47  GLN  QG    3.50  #ov         
 44  THR  H      41  SER  QB    3.51            
 44  THR  H      42  LEU  HA    3.50            
 44  THR  QG2    43  ALA  QB    3.50            
 44  THR  HA     43  ALA  QB    3.50            
 44  THR  HB     47  GLN  QG    4.50  #0mir         
 44  THR  HA     47  GLN  QG    3.50            
 44  THR  QG2    47  GLN  QG    3.52            
 45  THR  H      41  SER  HA    2.50            
 45  THR  HB     41  SER  HA    4.00            
 45  THR  H      42  LEU  QB    3.50            
 45  THR  HA     43  ALA  QB    4.50            
 45  THR  HB     46  VAL  QG2   4.00            
 45  THR  HA     47  GLN  H     2.50            
 46  VAL  HA     49  GLU  H     4.01            
 46  VAL  H      44  THR  HB    4.00            
 46  VAL  QG2    43  ALA  QB    3.52            
 46  VAL  HB     43  ALA  QB    4.53  #ov         
 47  GLN  H      43  ALA  HA    3.50            
 47  GLN  H      44  THR  HA    3.50            
 47  GLN  H      44  THR  HB    4.00            
 47  GLN  H      44  THR  QG2   3.50            
 47  GLN  HE22   43  ALA  QB    3.50            
 47  GLN  QE2    44  THR  QG2   3.50            
 47  GLN  QB     46  VAL  QG2   3.50            
 47  GLN  HE21   46  VAL  QG1   4.00            
 48  ASN  H      44  THR  H     4.01            
 48  ASN  QB     44  THR  QG2   4.00  #QB         
 48  ASN  H      44  THR  HB    3.00            
 48  ASN  H      47  GLN  QE2   4.50  #modi_QE2_weak         
 48  ASN  H      49  GLU  HB2   3.50            
 48  ASN  HA     51  THR  H     3.50            
 50  LEU  H      51  THR  HA    3.50            
 51  THR  H      49  GLU  QB    3.50            
 51  THR  H      50  LEU  QQD   2.50  #QQD         
 53  GLU  H      52  GLN  QB    2.50            
 53  GLU  H      54  LEU  QQD   3.50            
 56  LEU  H      54  LEU  H     3.00            
 56  LEU  HB2    60  GLN  HB2   4.01            
 57  GLN  H      56  LEU  QD2   3.01            
 57  GLN  HA     59  PHE  QD    4.50            
 57  GLN  QG     61  ASP  H     4.50            
 57  GLN  H      58  GLU  QG    4.00            
 58  GLU  H      55  LYS  QD    4.01            
 58  GLU  H      62  SER  H     4.01            
 59  PHE  HB2    63  LEU  QD1   4.50  #?         
 59  PHE  QD     63  LEU  QD2   3.00            
 59  PHE  QD     63  LEU  QD1   3.50            
 60  GLN  H      56  LEU  H     4.52  #ov         
 60  GLN  QG     63  LEU  QQD   4.51  #QQD         
 63  LEU  H      60  GLN  QB    3.50            
 63  LEU  HA     66  VAL  HB    2.50            
 63  LEU  HA     66  VAL  QG1   2.00            
 63  LEU  HA     66  VAL  QG2   4.00            
 65  LYS  H      64  LYS  QG    2.50            
 65  LYS  H      66  VAL  HB    4.00            
 65  LYS  HA     67  GLU  H     3.00            
 66  VAL  HB     63  LEU  QQD   4.00            
 66  VAL  HA     70  SER  H     3.50            
 67  GLU  H      63  LEU  QD1   4.51            
 67  GLU  QG     68  LYS  H     2.50  #QG         
 67  GLU  QG     70  SER  H     4.51            
 69  ALA  QB     66  VAL  QG2   3.50            
 69  ALA  QB     66  VAL  QG1   3.50            
 69  ALA  H      66  VAL  HB    3.51            
 69  ALA  H      68  LYS  QD    3.00            
 69  ALA  H      70  SER  HA    3.51            
 69  ALA  HA     70  SER  H     1.50            
 69  ALA  HA     72  THR  QG2   3.00            
 69  ALA  H      72  THR  QG2   4.00            
 69  ALA  HA     74  LEU  QQD   4.00            
 70  SER  H      67  GLU  HB2   3.50            
 70  SER  HA     69  ALA  QB    4.00            
 70  SER  H      69  ALA  QB    2.00            
 71  LEU  HA     72  THR  QG2   4.00            
 72  THR  HA     71  LEU  HB2   4.01            
 72  THR  HA     71  LEU  QD1   4.50            
 72  THR  HA     74  LEU  HB2   4.52  #?         
 73  ASN  H      70  SER  HA    3.50            
 73  ASN  H      70  SER  H     4.02  #ov         
 73  ASN  QB     72  THR  H     4.51            
 73  ASN  H      74  LEU  HA    3.50            
 73  ASN  H      74  LEU  HG    3.00            
 73  ASN  H      74  LEU  QD2   3.00            
 73  ASN  H      74  LEU  QD1   3.50            
 73  ASN  H      75  THR  H     3.51            
 74  LEU  QD1    75  THR  QG2   3.50            
 75  THR  H      74  LEU  QD1   3.52            
 75  THR  H      74  LEU  HG    4.01            
 75  THR  H      74  LEU  H     2.00            
 75  THR  H      76  PRO  HD3   3.00            
 75  THR  H      76  PRO  HD2   3.00            
 75  THR  H      77  GLU  HB2   4.50            
 75  THR  QG2    78  LEU  QD2   3.50            
 76  PRO  HA     79  LYS  HB2   2.50            
 76  PRO  HA     79  LYS  QD    2.50            
 78  LEU  HG     81  SER  HB2   4.01            
 79  LYS  HA     78  LEU  QD1   3.50            
 79  LYS  H      81  SER  H     2.50            
 80  ALA  H      78  LEU  QD1   4.01            
 80  ALA  H      83  ASP  H     3.01            
 81  SER  H      78  LEU  QB    3.00            
 82  MET  H      78  LEU  QB    3.50            
 82  MET  H      79  LYS  QG    3.50            
 82  MET  QB     81  SER  H     4.51            
 82  MET  HG2    81  SER  H     4.00            
 82  MET  HG3    81  SER  H     4.00            
 84  GLU  HA     83  ASP  H     3.51            
 84  GLU  H      85  LEU  QQD   3.50            
 84  GLU  HB2    85  LEU  HG    3.50            
 84  GLU  H      86  ARG  H     2.00            
 85  LEU  H      83  ASP  H     2.00            
 85  LEU  H      86  ARG  HA    3.00            
 85  LEU  QB     88  ALA  H     3.50            
 86  ARG  HA     85  LEU  QQD   3.00            
 86  ARG  H      88  ALA  QB    3.50            
 86  ARG  H      89  ALA  QB    3.50            
 86  ARG  HB2    89  ALA  QB    3.50            
 86  ARG  QB     89  ALA  H     3.00            
 86  ARG  HA     89  ALA  H     2.50            
 87  GLN  QB     90  GLU  H     3.01            
 88  ALA  H      85  LEU  QQD   4.01            
 88  ALA  H      85  LEU  HG    4.01            
 88  ALA  H      86  ARG  H     2.50            
 90  GLU  H      86  ARG  H     3.50            
 90  GLU  H      88  ALA  H     2.50            
 90  GLU  HG2    93  LYS  H     4.01            
 90  GLU  HG3    93  LYS  H     4.00            
 91  SER  H      88  ALA  QB    3.01            
 91  SER  H      89  ALA  QB    3.50            
 91  SER  H      92  MET  QE    4.01            
 92  MET  H      89  ALA  QB    3.00            
 92  MET  HG3    91  SER  H     3.50            
 93  LYS  H      89  ALA  H     4.01            
 93  LYS  H      89  ALA  QB    3.01            
 93  LYS  H      90  GLU  H     2.50            
 93  LYS  HA     96  TYR  QD    3.50            
 93  LYS  HB2    96  TYR  QE    4.50            
 93  LYS  HB2    96  TYR  QD    4.00            
 94  ARG  H      90  GLU  QB    3.50            
 95  SER  HA     94  ARG  HG2   3.00            
 95  SER  QB     96  TYR  QD    3.50            
 96  TYR  H      94  ARG  HA    3.00            
 96  TYR  HB2    95  SER  H     3.50            
 96  TYR  HB3    95  SER  H     3.50            
 96  TYR  QD     97  VAL  QG2   2.50            
 96  TYR  QB     98  ALA  H     3.50  #comb_QB         
 97  VAL  HB     96  TYR  QD    4.00            
 97  VAL  H      98  ALA  H     2.00            
 97  VAL  H      98  ALA  HA    4.00            
 98  ALA  HA     97  VAL  QG1   3.50            
 98  ALA  H      96  TYR  QE    4.01            
 99  ASN  H      97  VAL  QG2   3.51            
100  ASP  H      99  ASN  HA    1.50            
101  PRO  HG3   102  LEU  H     2.50            
102  LEU  HB2   101  PRO  HA    4.50            
103  GLU  H     101  PRO  HA    2.50            
  1  MET  QE      2  PHE  HZ    3.50            
  1  MET  QE      2  PHE  H     3.50            
  1  MET  QE      3  ASP  H     3.50            
  1  MET  HA      3  ASP  H     2.50            
  1  MET  QE      4  ILE  QD1   3.50            
  2  PHE  H       1  MET  HA    1.50            
  2  PHE  QD      1  MET  HA    3.50            
  2  PHE  QE      1  MET  QE    2.50            
  2  PHE  HB3     1  MET  H     3.50            
  2  PHE  HB2     2  PHE  H     2.50            
  2  PHE  HB2     2  PHE  HA    2.50            
  2  PHE  QD      3  ASP  H     2.50            
  2  PHE  H       3  ASP  HB2   3.50            
  2  PHE  HA      3  ASP  H     1.50            
  2  PHE  QE      4  ILE  QD1   3.50            
  2  PHE  HB2     4  ILE  HA    3.50            
  2  PHE  QB      4  ILE  QD1   4.50            
  2  PHE  H       4  ILE  HG12  3.50            
  2  PHE  QD      4  ILE  HG12  4.00            
  2  PHE  QD      4  ILE  HG13  4.00            
  2  PHE  QD      4  ILE  QD1   3.50            
  2  PHE  QD      4  ILE  HB    4.00            
  2  PHE  H       4  ILE  HG13  3.50            
  2  PHE  H       4  ILE  H     2.50            
  2  PHE  H       4  ILE  QD1   2.50            
  3  ASP  H       1  MET  H     1.50            
  3  ASP  HB3     3  ASP  HA    2.50            
  3  ASP  HB2     4  ILE  HA    4.00            
  3  ASP  HB3     4  ILE  H     2.50            
  3  ASP  H       4  ILE  HB    4.00            
  3  ASP  HB2     4  ILE  HB    4.00            
  3  ASP  H       4  ILE  H     1.50            
  3  ASP  HB2     4  ILE  H     2.50            
  3  ASP  H       5  GLY  H     3.50            
  3  ASP  HA      5  GLY  H     3.50            
  4  ILE  QD1     1  MET  H     3.50            
  4  ILE  QD1     2  PHE  HA    4.50            
  4  ILE  HA      3  ASP  HA    3.50            
  4  ILE  HB      3  ASP  HA    3.50            
  4  ILE  HG13    3  ASP  HA    4.01            
  4  ILE  HG12    3  ASP  HA    3.50            
  4  ILE  QD1     3  ASP  H     4.00            
  4  ILE  H       3  ASP  HA    1.50            
  4  ILE  HG13    4  ILE  H     2.50            
  4  ILE  HA      5  GLY  H     2.50            
  4  ILE  HB      5  GLY  H     1.50            
  4  ILE  HG12    5  GLY  H     3.50            
  4  ILE  HG13    5  GLY  H     3.50            
  4  ILE  H       5  GLY  H     2.50            
  4  ILE  QD1     5  GLY  H     2.50            
  4  ILE  QD1     6  PHE  H     2.50            
  4  ILE  QG2     7  SER  HB2   4.00            
  4  ILE  QD1     8  GLU  HB2   3.00            
  5  GLY  HA2     4  ILE  QG2   3.50            
  5  GLY  H       4  ILE  QG2   2.50            
  6  PHE  H       4  ILE  HA    3.50            
  6  PHE  QD      4  ILE  QG2   3.50            
  6  PHE  QE      4  ILE  HA    4.01            
  6  PHE  HB3     5  GLY  HA3   4.00            
  6  PHE  H       5  GLY  HA3   2.00            
  6  PHE  H       5  GLY  H     2.50            
  6  PHE  H       5  GLY  HA2   1.50            
  6  PHE  HB3     7  SER  H     2.50            
  6  PHE  HA      7  SER  H     1.50            
  6  PHE  QD      7  SER  H     2.50            
  6  PHE  HB2     7  SER  H     2.50            
  6  PHE  H       7  SER  H     1.50            
  6  PHE  H       8  GLU  H     3.50            
  6  PHE  HA      9  LEU  HB2   2.50            
  6  PHE  QD      9  LEU  HB3   3.50            
  6  PHE  HB3     9  LEU  HB2   3.50            
  6  PHE  HB2     9  LEU  HB2   3.50            
  6  PHE  HA      9  LEU  H     2.50            
  6  PHE  HA      9  LEU  HG    2.50            
  6  PHE  QD     10  LEU  QQD   2.50            
  6  PHE  HA     10  LEU  H     2.50            
  8  GLU  HB2     4  ILE  HA    3.50            
  8  GLU  HB2     4  ILE  HB    3.50            
  8  GLU  HB2     4  ILE  HG13  2.50            
  8  GLU  HB2     4  ILE  HG12  3.50            
  8  GLU  HB2     4  ILE  QG2   2.00            
  8  GLU  HA      4  ILE  QG2   2.50            
  8  GLU  H       4  ILE  QG2   2.00            
  8  GLU  HB3     7  SER  HB2   4.00            
  8  GLU  H       7  SER  QB    3.00            
  8  GLU  H       7  SER  H     2.50            
  8  GLU  HB2     7  SER  H     3.50            
  8  GLU  HB2     9  LEU  QQD   2.50            
  8  GLU  H       9  LEU  H     2.50            
  8  GLU  H      10  LEU  H     2.50            
  9  LEU  HB2     4  ILE  QG2   2.50            
  9  LEU  HA     12  VAL  HA    4.00            
  9  LEU  HA     12  VAL  QG1   3.00            
  9  LEU  HA     12  VAL  QG2   3.00            
  9  LEU  HA     12  VAL  H     2.50            
 10  LEU  H       9  LEU  H     2.50            
 10  LEU  HA     11  LEU  H     2.50            
 10  LEU  HA     13  PHE  QD    3.50            
 10  LEU  HA     13  PHE  QB    2.50  #comb_QB         
 10  LEU  HA     13  PHE  H     2.50            
 11  LEU  H      10  LEU  H     2.50            
 11  LEU  HA     12  VAL  H     2.50            
 11  LEU  QB     12  VAL  H     2.00            
 11  LEU  H      12  VAL  H     1.50            
 11  LEU  HA     14  ILE  QG2   2.50            
 12  VAL  HB      9  LEU  HA    2.50            
 12  VAL  HB     11  LEU  H     3.50            
 12  VAL  HA     15  ILE  H     2.50            
 13  PHE  H      11  LEU  H     3.50            
 13  PHE  QB     12  VAL  HB    4.00  #QB         
 13  PHE  HA     12  VAL  QG1   3.00            
 13  PHE  QB     12  VAL  QG2   4.50  #QB         
 13  PHE  H      12  VAL  HB    2.50            
 13  PHE  H      12  VAL  QG1   2.00            
 13  PHE  QB     12  VAL  HA    4.00  #QB         
 13  PHE  H      12  VAL  QG2   2.00            
 13  PHE  H      12  VAL  HA    2.50            
 13  PHE  H      12  VAL  H     1.50            
 13  PHE  HA     14  ILE  HA    3.50            
 13  PHE  QB     14  ILE  HB    4.00  #QB         
 13  PHE  HA     16  GLY  H     3.00            
 13  PHE  QD     17  LEU  HG    4.00            
 13  PHE  HZ     17  LEU  QD2   3.00            
 13  PHE  HZ     17  LEU  HG    4.00            
 13  PHE  HZ     17  LEU  QB    4.51  #from_amb         
 13  PHE  QD     17  LEU  QD2   3.50            
 13  PHE  HZ     17  LEU  QD1   3.00            
 13  PHE  QE     17  LEU  HG    4.00            
 14  ILE  H      11  LEU  HA    3.50            
 14  ILE  HA     13  PHE  QD    3.50            
 14  ILE  H      13  PHE  QD    3.00            
 14  ILE  QG1    13  PHE  QD    3.50  #QG1         
 14  ILE  H      13  PHE  HA    2.50            
 14  ILE  H      13  PHE  HB2   2.50            
 14  ILE  H      13  PHE  H     1.50            
 14  ILE  H      13  PHE  HB3   2.50            
 14  ILE  HB     15  ILE  H     2.00            
 14  ILE  HA     17  LEU  QB    2.50            
 14  ILE  HA     17  LEU  HG    3.00            
 14  ILE  HA     17  LEU  QD1   2.50            
 14  ILE  HA     17  LEU  QD2   2.50            
 15  ILE  HG13   12  VAL  HA    2.50            
 15  ILE  HB     12  VAL  HA    2.50            
 15  ILE  H      14  ILE  QG2   2.50            
 15  ILE  HB     16  GLY  H     2.50            
 15  ILE  HA     16  GLY  H     1.50            
 15  ILE  HG12   16  GLY  H     2.50            
 15  ILE  HA     18  VAL  QG2   2.00            
 15  ILE  HA     18  VAL  H     3.00            
 15  ILE  HA     18  VAL  QG1   2.00            
 15  ILE  HA     18  VAL  HB    3.50            
 15  ILE  HA     19  VAL  H     3.50            
 16  GLY  H      12  VAL  HA    3.50            
 16  GLY  H      15  ILE  H     1.50            
 16  GLY  H      17  LEU  HG    4.00            
 16  GLY  H      17  LEU  HA    4.00            
 16  GLY  H      18  VAL  H     3.50            
 16  GLY  H      19  VAL  H     3.00            
 17  LEU  H      14  ILE  QG2   2.50            
 17  LEU  H      16  GLY  QA    2.00            
 17  LEU  H      16  GLY  H     2.00            
 17  LEU  HA     18  VAL  H     2.50            
 17  LEU  H      18  VAL  QG2   3.50            
 17  LEU  H      18  VAL  H     2.50            
 18  VAL  H      17  LEU  QD1   2.50            
 18  VAL  H      17  LEU  QD2   2.50            
 18  VAL  H      17  LEU  HG    3.50            
 18  VAL  H      17  LEU  QB    2.50            
 18  VAL  HA     19  VAL  H     2.50            
 18  VAL  HB     19  VAL  H     2.50            
 19  VAL  H      16  GLY  QA    3.50            
 19  VAL  H      18  VAL  H     1.50            
 20  LEU  H      18  VAL  HA    3.50            
 20  LEU  H      19  VAL  QG1   2.50            
 20  LEU  H      19  VAL  HB    2.00            
 20  LEU  H      19  VAL  QG2   2.50            
 20  LEU  H      19  VAL  HA    1.50            
 21  GLY  H      17  LEU  HA    3.50            
 21  GLY  H      17  LEU  QD2   4.00            
 21  GLY  H      19  VAL  QG1   4.00            
 21  GLY  H      19  VAL  QG2   4.00            
 21  GLY  HA3    20  LEU  HB3   4.00            
 21  GLY  H      20  LEU  HB2   2.50            
 21  GLY  H      20  LEU  H     1.50            
 21  GLY  H      20  LEU  HB3   2.50            
 21  GLY  H      20  LEU  HA    2.50            
 21  GLY  H      23  GLN  H     3.50            
 22  PRO  QD     21  GLY  QA    2.00            
 22  PRO  QD     21  GLY  H     2.50            
 22  PRO  HA     23  GLN  H     3.50            
 22  PRO  HD3    23  GLN  H     3.50            
 22  PRO  HG2    23  GLN  H     2.50            
 22  PRO  HG3    23  GLN  H     2.50            
 22  PRO  HD3    24  ARG  H     4.01            
 23  GLN  H      22  PRO  QB    2.50            
 23  GLN  H      24  ARG  H     2.50            
 23  GLN  HA     24  ARG  H     2.50            
 24  ARG  H      22  PRO  QB    3.00            
 24  ARG  H      23  GLN  QB    2.50            
 24  ARG  H      27  VAL  QG1   4.00            
 25  LEU  H      23  GLN  H     2.50            
 25  LEU  HA     24  ARG  H     2.50            
 25  LEU  HA     27  VAL  QG2   4.50            
 25  LEU  HA     28  ALA  H     2.50            
 26  PRO  HA     29  VAL  QG1   3.50            
 26  PRO  HA     29  VAL  QG2   2.00            
 26  PRO  HA     29  VAL  H     3.50            
 27  VAL  H      25  LEU  HA    3.50            
 27  VAL  H      26  PRO  HA    1.50            
 27  VAL  H      26  PRO  QD    3.00            
 27  VAL  HB     26  PRO  QD    3.50            
 27  VAL  H      26  PRO  QB    2.50            
 27  VAL  H      26  PRO  HG3   3.50            
 27  VAL  HB     28  ALA  H     2.50            
 27  VAL  H      28  ALA  H     2.50            
 27  VAL  HA     30  LYS  QB    2.50            
 28  ALA  H      27  VAL  QG1   2.50            
 28  ALA  H      27  VAL  HA    3.50            
 29  VAL  H      25  LEU  HA    3.50  #ov_0mir         
 29  VAL  H      27  VAL  HA    3.01            
 29  VAL  H      28  ALA  QB    2.01            
 29  VAL  H      28  ALA  H     2.00            
 29  VAL  HA     30  LYS  H     2.50            
 29  VAL  HA     30  LYS  QB    3.50            
 29  VAL  H      30  LYS  H     1.50            
 29  VAL  H      31  THR  H     2.50            
 29  VAL  HA     32  VAL  H     2.00            
 29  VAL  HA     32  VAL  HB    2.50            
 29  VAL  HA     33  ALA  H     3.50            
 30  LYS  HG2    27  VAL  HA    3.50            
 30  LYS  HG3    27  VAL  HA    3.50            
 30  LYS  H      29  VAL  QG2   2.50            
 30  LYS  HG2    31  THR  H     2.50            
 31  THR  HB     28  ALA  QB    3.50            
 31  THR  H      30  LYS  QB    2.50            
 31  THR  HA     32  VAL  H     1.50            
 31  THR  HA     34  GLY  H     2.00            
 32  VAL  HA     33  ALA  H     2.00            
 32  VAL  HB     33  ALA  H     2.00            
 32  VAL  H      33  ALA  H     1.50            
 32  VAL  HB     34  GLY  H     4.50            
 32  VAL  HA     35  TRP  H     2.50            
 33  ALA  H      30  LYS  HA    3.00            
 33  ALA  H      31  THR  H     2.50            
 33  ALA  H      32  VAL  QG1   2.50            
 33  ALA  HA     34  GLY  H     1.50            
 33  ALA  H      34  GLY  H     1.50            
 33  ALA  HA     36  ILE  HA    4.01            
 33  ALA  HA     36  ILE  HB    2.00            
 34  GLY  H      33  ALA  QB    2.00            
 35  TRP  H      32  VAL  HB    4.01            
 35  TRP  H      34  GLY  HA2   2.50            
 35  TRP  H      34  GLY  HA3   2.50            
 35  TRP  H      34  GLY  H     1.50            
 35  TRP  H      36  ILE  HA    3.50            
 35  TRP  H      36  ILE  HB    3.50            
 35  TRP  H      37  ARG  H     3.50            
 35  TRP  HA     38  ALA  H     2.50            
 36  ILE  QG1    33  ALA  HA    3.50            
 36  ILE  HB     33  ALA  QB    3.01            
 36  ILE  H      33  ALA  HA    2.50            
 36  ILE  HB     37  ARG  H     2.50            
 37  ARG  HE     33  ALA  QB    4.00            
 37  ARG  QB     34  GLY  QA    3.00  #QA         
 37  ARG  H      36  ILE  QD1   2.50            
 37  ARG  QB     38  ALA  H     2.50            
 37  ARG  H      38  ALA  H     2.50            
 37  ARG  HA     38  ALA  H     1.50            
 37  ARG  HA     41  SER  H     3.00            
 38  ALA  H      34  GLY  HA2   3.50            
 38  ALA  H      36  ILE  HA    3.50            
 38  ALA  H      37  ARG  QG    2.50  #QG         
 38  ALA  H      39  LEU  QQD   2.50            
 39  LEU  HB2    36  ILE  HA    3.50            
 39  LEU  HB3    36  ILE  HA    2.50            
 39  LEU  H      36  ILE  HA    3.50            
 39  LEU  H      38  ALA  QB    2.50            
 40  ARG  H      37  ARG  QD    3.00            
 40  ARG  H      39  LEU  QQD   2.50            
 40  ARG  H      41  SER  H     2.50            
 40  ARG  H      42  LEU  H     2.50            
 40  ARG  HA     43  ALA  QB    2.50            
 40  ARG  HG3    44  THR  HB    4.00            
 41  SER  H      40  ARG  HA    1.50            
 41  SER  HA     42  LEU  H     1.50            
 41  SER  QB     44  THR  QG2   3.50            
 42  LEU  H      39  LEU  HB2   3.50            
 42  LEU  H      39  LEU  HA    2.50            
 42  LEU  H      41  SER  H     1.50            
 42  LEU  H      41  SER  QB    2.50            
 42  LEU  QQD    43  ALA  H     2.50            
 42  LEU  H      43  ALA  QB    3.50            
 42  LEU  H      44  THR  H     2.50            
 42  LEU  QQD    45  THR  HB    3.50            
 42  LEU  HA     45  THR  QG2   2.50            
 43  ALA  H      40  ARG  HA    2.50            
 43  ALA  H      41  SER  HA    2.50            
 43  ALA  H      41  SER  H     2.50            
 43  ALA  H      42  LEU  QB    2.50            
 43  ALA  H      42  LEU  H     2.50            
 43  ALA  H      42  LEU  HA    2.50            
 43  ALA  HA     44  THR  H     2.00            
 43  ALA  H      44  THR  H     1.50            
 43  ALA  HA     46  VAL  HB    3.01            
 44  THR  H      40  ARG  HA    3.01            
 44  THR  HB     43  ALA  QB    3.50            
 44  THR  H      43  ALA  QB    2.00            
 44  THR  H      46  VAL  QG1   3.50            
 45  THR  H      42  LEU  H     3.01            
 45  THR  H      42  LEU  HA    2.50            
 45  THR  H      44  THR  HB    2.00            
 45  THR  H      44  THR  HA    2.50            
 45  THR  HB     46  VAL  H     3.00            
 45  THR  HA     46  VAL  H     2.00            
 45  THR  HA     46  VAL  QG2   4.00            
 45  THR  H      46  VAL  H     2.50            
 45  THR  H      46  VAL  QG2   3.50            
 45  THR  H      47  GLN  H     2.50            
 45  THR  HB     48  ASN  H     4.00            
 45  THR  HA     48  ASN  H     3.00            
 45  THR  H      48  ASN  H     3.50            
 46  VAL  H      43  ALA  HA    3.00            
 46  VAL  HA     45  THR  HB    4.00            
 46  VAL  H      45  THR  QG2   2.50            
 46  VAL  HA     45  THR  QG2   3.50            
 46  VAL  HA     47  GLN  H     2.00            
 46  VAL  H      47  GLN  H     2.00            
 46  VAL  HA     48  ASN  H     4.00            
 46  VAL  H      48  ASN  H     2.50            
 47  GLN  HA     46  VAL  QQG   3.51            
 47  GLN  H      46  VAL  QG2   2.50            
 47  GLN  HA     46  VAL  HB    4.01            
 47  GLN  H      46  VAL  QG1   2.50            
 47  GLN  QB     48  ASN  H     2.00  #pull         
 47  GLN  HA     48  ASN  H     2.00            
 47  GLN  QG     48  ASN  H     2.50            
 48  ASN  HA     47  GLN  HG2   4.51            
 48  ASN  HA     49  GLU  HB2   4.00            
 48  ASN  HB3    49  GLU  H     2.50            
 48  ASN  HB2    49  GLU  H     2.50            
 48  ASN  HA     51  THR  QG2   2.50            
 48  ASN  HA     52  GLN  HE21  3.50            
 49  GLU  H      48  ASN  HA    2.50            
 50  LEU  H      49  GLU  QB    1.50  #comb_QB         
 50  LEU  H      51  THR  H     1.50            
 50  LEU  HA     51  THR  H     2.00            
 51  THR  HB     48  ASN  HA    3.50            
 51  THR  HA     50  LEU  HA    3.50            
 51  THR  H      50  LEU  QB    2.50            
 51  THR  HA     52  GLN  H     2.50            
 51  THR  HA     52  GLN  QG    4.00  #QG         
 51  THR  HB     52  GLN  QG    3.50  #QG         
 51  THR  HB     52  GLN  H     2.50            
 51  THR  HA     53  GLU  H     3.50            
 73  ASN  H      71  LEU  H     2.50            
 52  GLN  HA     51  THR  QG2   3.50            
 52  GLN  QG     51  THR  QG2   3.50  #QG         
 52  GLN  H      51  THR  H     2.50            
 52  GLN  H      51  THR  QG2   2.50            
 52  GLN  HE21   51  THR  QG2   3.50            
 52  GLN  H      53  GLU  QG    3.50            
 52  GLN  H      53  GLU  H     1.50            
 52  GLN  H      53  GLU  QB    2.50            
 52  GLN  HA     53  GLU  H     1.50            
 55  LYS  H      54  LEU  QB    2.50  #QB         
 53  GLU  H      52  GLN  QG    3.00  #QG         
 53  GLU  H      54  LEU  H     1.50            
 54  LEU  H      52  GLN  QB    3.50            
 54  LEU  H      53  GLU  QG    3.50            
 54  LEU  H      53  GLU  QB    2.50            
 54  LEU  HG     55  LYS  H     4.01            
 55  LYS  H      53  GLU  QG    3.50            
 55  LYS  H      54  LEU  HA    1.50            
 55  LYS  H      54  LEU  QQD   2.50            
 55  LYS  HA     54  LEU  H     3.50            
 55  LYS  H      54  LEU  H     1.50            
 55  LYS  H      54  LEU  HB2   2.50            
 55  LYS  H      56  LEU  H     1.50            
 55  LYS  QG     56  LEU  H     2.50            
 56  LEU  H      55  LYS  HA    1.50            
 56  LEU  HA     57  GLN  H     1.50            
 56  LEU  HB2    60  GLN  HE21  4.50            
 57  GLN  H      55  LYS  HG3   4.00            
 57  GLN  H      56  LEU  HG    2.50            
 60  GLN  HE22   56  LEU  HB2   4.50            
 60  GLN  HE21   56  LEU  QD1   4.50            
 60  GLN  HA     59  PHE  QD    4.01            
 60  GLN  H      59  PHE  QD    2.50            
 60  GLN  QG     61  ASP  H     3.50            
 60  GLN  HA     61  ASP  H     2.50            
 60  GLN  H      61  ASP  H     1.50            
 60  GLN  HA     63  LEU  QD2   3.51            
 60  GLN  H      63  LEU  QD1   4.01            
 60  GLN  HA     63  LEU  QD1   3.00            
 60  GLN  QE2    63  LEU  QD1   4.00            
 61  ASP  QB     58  GLU  HA    2.50            
 61  ASP  H      58  GLU  QG    3.50            
 61  ASP  HB2    60  GLN  HA    4.00            
 61  ASP  H      60  GLN  HB2   2.50            
 60 GLN  HB3    61 ASP  H       0.00
 61  ASP  HB2    62  SER  HA    4.00            
 61  ASP  HA     62  SER  H     3.50            
 61  ASP  H      62  SER  HB3   4.00            
 61  ASP  HB2    62  SER  H     2.50            
 61  ASP  HB3    62  SER  H     2.50            
 61  ASP  HA     64  LYS  H     2.50            
 61  ASP  HA     64  LYS  QG    2.50            
 62  SER  H      60  GLN  HA    3.50            
 62  SER  H      60  GLN  H     2.50            
 62  SER  H      61  ASP  H     1.50            
 62  SER  H      63  LEU  QD1   4.00            
 62  SER  HA     63  LEU  HB2   4.00  #ov         
 63  LEU  QB     59  PHE  QD    4.00            
 63  LEU  HG     59  PHE  QD    3.50            
 63  LEU  H      59  PHE  QD    4.00            
 63  LEU  H      60  GLN  HA    2.50            
 63  LEU  HG     60  GLN  HA    3.01            
 63  LEU  H      61  ASP  H     3.00            
 63  LEU  HB2    62  SER  HB2   4.00            
 63  LEU  HG     62  SER  HB3   3.50            
 63  LEU  H      62  SER  HA    1.50            
 63  LEU  H      62  SER  HB2   2.50            
 63  LEU  HG     66  VAL  QG1   3.01            
 63  LEU  QD2    66  VAL  QG1   3.00            
 63  LEU  H      66  VAL  HB    4.00            
 63  LEU  H      66  VAL  QG1   4.00            
 63  LEU  HA     66  VAL  H     2.50            
 64  LYS  H      60  GLN  HA    3.50            
 64  LYS  H      61  ASP  H     3.50            
 64  LYS  H      62  SER  HA    4.00            
 64  LYS  H      62  SER  H     2.50            
 64  LYS  H      63  LEU  HA    1.50            
 64  LYS  H      63  LEU  HB2   2.50            
 64  LYS  H      63  LEU  HB3   3.50            
 64  LYS  H      63  LEU  HG    3.00            
 64  LYS  H      63  LEU  QD2   3.01            
 64  LYS  H      63  LEU  QD1   3.50            
 64  LYS  H      63  LEU  H     1.50            
 64  LYS  HA     66  VAL  H     2.50            
 64  LYS  H      67  GLU  H     3.50            
 65  LYS  H      61  ASP  HA    3.50            
 65  LYS  QB     62  SER  HA    3.00            
 65  LYS  H      62  SER  HB2   3.50            
 65  LYS  H      62  SER  HA    2.50            
 65  LYS  H      63  LEU  H     3.00            
 65  LYS  H      63  LEU  QD2   4.50            
 65  LYS  H      63  LEU  HA    3.00            
 65  LYS  H      64  LYS  QG    3.50            
 65  LYS  H      64  LYS  QE    3.50            
 65  LYS  H      64  LYS  QD    2.50            
 65  LYS  H      64  LYS  H     2.50            
 65  LYS  H      64  LYS  HA    2.50            
 65  LYS  HA     66  VAL  H     2.00            
 65  LYS  H      66  VAL  H     1.50            
 65  LYS  H      66  VAL  QG2   4.01            
 65  LYS  H      66  VAL  QG1   3.01            
 65  LYS  H      67  GLU  H     3.50            
 65  LYS  HA     68  LYS  QG    3.01            
 65  LYS  HA     68  LYS  H     2.50            
 65  LYS  H      68  LYS  H     3.01            
 65  LYS  HA     69  ALA  QB    2.50            
 66  VAL  H      65  LYS  QE    2.50            
 66  VAL  HA     67  GLU  H     1.50            
 66  VAL  HA     69  ALA  H     2.50            
 66  VAL  HA     69  ALA  HA    3.50            
 66  VAL  HB     69  ALA  QB    4.00            
 66  VAL  HA     69  ALA  QB    2.50            
 67  GLU  HG3    63  LEU  QD1   3.50            
 67  GLU  HG2    63  LEU  QD2   3.50            
 67  GLU  H      63  LEU  HA    3.50            
 67  GLU  H      66  VAL  HB    2.00            
 67  GLU  HA     66  VAL  QG2   2.50            
 67  GLU  QG     66  VAL  QG2   3.50            
 67  GLU  QG     66  VAL  H     4.00  #QG         
 67  GLU  H      66  VAL  H     1.50            
 67  GLU  H      66  VAL  QQG   2.00            
 67  GLU  HA     68  LYS  H     1.50            
 67  GLU  QG     68  LYS  H     3.00  #QG         
 67  GLU  HG3    70  SER  HB2   4.00            
 67  GLU  HA     71  LEU  QD2   3.01            
 67  GLU  HG3    71  LEU  QD1   4.01            
 68  LYS  H      65  LYS  QE    3.51            
 68  LYS  H      66  VAL  HA    2.50            
 68  LYS  HG3    67  GLU  HB2   3.50            
 68  LYS  H      67  GLU  HB2   2.50            
 68  LYS  H      67  GLU  H     1.50            
 68  LYS  HG2    69  ALA  H     2.50            
 68  LYS  HA     69  ALA  H     1.50            
 68  LYS  QB     69  ALA  H     2.01            
 68  LYS  HA     71  LEU  H     2.50            
 69  ALA  H      65  LYS  QE    3.50            
 69  ALA  H      66  VAL  H     3.00            
 69  ALA  H      70  SER  H     1.80            
 69  ALA  HA     72  THR  H     3.00            
 69  ALA  HA     73  ASN  QD2   4.00  #QD2         
 70  SER  H      68  LYS  QB    4.00            
 70  SER  QB     69  ALA  QB    3.50            
 70  SER  HA     72  THR  QG2   4.00            
 70  SER  H      72  THR  QG2   3.50            
 70  SER  HA     72  THR  H     2.50            
 70  SER  H      72  THR  H     3.50            
 70  SER  QB     74  LEU  HG    3.00            
 70  SER  HB3    74  LEU  QD1   2.50            
 70  SER  QB     74  LEU  QD2   3.50            
 70  SER  HA     74  LEU  HG    3.00            
 71  LEU  H      67  GLU  HB2   4.01            
 71  LEU  H      69  ALA  HA    4.00            
 71  LEU  H      70  SER  HB3   2.50            
 71  LEU  H      70  SER  HB2   2.50            
 71  LEU  H      70  SER  HA    1.50            
 71  LEU  H      70  SER  H     1.50            
 71  LEU  H      72  THR  HB    4.51            
 71  LEU  H      72  THR  HA    4.00            
 71  LEU  H      72  THR  QG2   3.50            
 71  LEU  H      72  THR  H     1.50            
 71  LEU  HB3    72  THR  H     2.50            
 71  LEU  QD2    72  THR  H     3.51            
 72  THR  H      69  ALA  QB    3.50            
 72  THR  H      71  LEU  QD1   3.50            
 72  THR  H      74  LEU  QD2   3.01            
 73  ASN  QD2    69  ALA  HA    4.50  #QD2_ov72hb         
 73  ASN  QD2    69  ALA  QB    4.50            
 73  ASN  H      71  LEU  HA    3.50            
 73  ASN  H      71  LEU  QD1   4.51            
 73  ASN  H      72  THR  HB    2.50            
 73  ASN  QD2    72  THR  HB    3.50  #QD2_ov         
 73  ASN  QB     72  THR  HB    4.00            
 73  ASN  QB     72  THR  QG2   4.50            
 73  ASN  H      72  THR  HA    2.50            
 73  ASN  H      72  THR  QG2   2.50            
 73  ASN  HA     72  THR  QG2   3.50            
 73  ASN  HA     72  THR  HA    4.00            
 73  ASN  H      72  THR  H     1.50            
 73  ASN  QD2    72  THR  QG2   4.50            
 73  ASN  HA     72  THR  H     3.50            
 73  ASN  QB     74  LEU  HA    4.00            
 73  ASN  HB3    74  LEU  H     3.00            
 73  ASN  HB2    74  LEU  H     2.50            
 73  ASN  QB     74  LEU  QQD   2.50            
 73  ASN  H      74  LEU  HB2   3.50            
 73  ASN  H      74  LEU  HB3   4.00            
 73  ASN  H      74  LEU  H     1.50            
 73  ASN  HA     74  LEU  H     1.50            
 73  ASN  HD21   74  LEU  QD1   4.50            
 73  ASN  HA     75  THR  H     3.50            
 74  LEU  H      71  LEU  HA    2.50            
 74  LEU  H      72  THR  QG2   3.50            
 74  LEU  HA     75  THR  H     1.50            
 74  LEU  HB2    75  THR  H     2.50            
 74  LEU  HB3    75  THR  H     2.50            
 74  LEU  H      75  THR  QG2   3.50            
 74  LEU  HA     75  THR  QG2   3.01            
 75  THR  H      71  LEU  HA    3.50            
 75  THR  H      74  LEU  QD2   3.50            
 75  THR  H      78  LEU  QD2   3.01            
 75  THR  H      78  LEU  H     3.50            
 75  THR  H      79  LYS  QG    4.00            
 76  PRO  QD     75  THR  QG2   2.00            
 76  PRO  QD     75  THR  HB    3.00            
 76  PRO  QG     75  THR  HA    2.50            
 76  PRO  QD     75  THR  HA    2.00            
 76  PRO  HA     77  GLU  H     2.50            
 76  PRO  HB2    77  GLU  H     2.50            
 76  PRO  HB3    77  GLU  H     2.50            
 76  PRO  HA     79  LYS  H     3.50            
 76  PRO  HA     79  LYS  QG    3.50            
 76  PRO  HA     79  LYS  HB3   2.50            
 76  PRO  HA     80  ALA  H     4.00            
 77  GLU  H      75  THR  QG2   3.50            
 77  GLU  H      75  THR  HA    3.50            
 77  GLU  H      76  PRO  QD    2.50            
 77  GLU  HA     76  PRO  HB2   2.50            
 77  GLU  HG2    78  LEU  H     3.50            
 77  GLU  HA     78  LEU  H     3.50            
 77  GLU  HG3    78  LEU  H     3.50            
 77  GLU  H      78  LEU  H     2.50            
 77  GLU  HA     79  LYS  H     3.50            
 77  GLU  HA     80  ALA  H     3.50            
 77  GLU  HG2    80  ALA  QB    3.50            
 77  GLU  HA     80  ALA  QB    2.50            
 78  LEU  H      75  THR  QG2   3.50            
 78  LEU  HG     75  THR  QG2   4.01            
 78  LEU  H      77  GLU  HB3   2.50            
 78  LEU  HA     79  LYS  H     1.50            
 78  LEU  HA     79  LYS  HA    3.50            
 78  LEU  HA     81  SER  HB3   3.50            
 78  LEU  HA     81  SER  H     2.00            
 78  LEU  QD1    82  MET  QE    3.50            
 79  LYS  H      75  THR  H     3.50            
 79  LYS  H      77  GLU  H     3.50            
 79  LYS  HA     78  LEU  QD2   4.00            
 79  LYS  H      78  LEU  QD1   2.50            
 79  LYS  H      78  LEU  QD2   2.50            
 79  LYS  H      78  LEU  HG    3.50            
 79  LYS  H      78  LEU  H     1.50            
 79  LYS  H      78  LEU  QB    2.00            
 79  LYS  H      80  ALA  HA    3.50            
 79  LYS  QB     80  ALA  H     2.00  #comb_QB         
 79  LYS  H      80  ALA  H     1.50            
 79  LYS  HA     81  SER  H     3.50            
 79  LYS  H      82  MET  QG    4.01            
 80  ALA  H      79  LYS  HA    1.50            
 80  ALA  H      79  LYS  QD    4.00            
 80  ALA  H      79  LYS  QG    3.50            
 80  ALA  HA     81  SER  H     2.50            
 80  ALA  H      81  SER  H     1.50            
 81  SER  HA     78  LEU  QD1   4.00            
 81  SER  HB3    78  LEU  QD1   3.50            
 81  SER  H      78  LEU  QD1   4.00            
 81  SER  HA     80  ALA  QB    3.50            
 81  SER  H      80  ALA  QB    2.50            
 81  SER  HA     82  MET  H     2.00            
 81  SER  H      82  MET  QE    4.00            
 81  SER  HA     82  MET  QE    4.50            
 81  SER  HB3    82  MET  H     2.50            
 81  SER  HB2    82  MET  H     2.50            
 81  SER  HA     84  GLU  HG3   3.50            
 81  SER  HA     84  GLU  HG2   3.50            
 82  MET  QG     78  LEU  QD1   2.50  #comb_QG         
 82  MET  HG3    78  LEU  QD2   4.00            
 82  MET  H      78  LEU  QD1   2.50            
 82  MET  QG     79  LYS  HA    3.00            
 82  MET  HB3    79  LYS  HA    3.50            
 82  MET  H      79  LYS  HA    2.50            
 82  MET  H      81  SER  H     1.50            
 82  MET  HG3    83  ASP  H     3.50            
 82  MET  HA     83  ASP  H     2.50            
 82  MET  H      83  ASP  HB2   3.50            
 82  MET  HA     85  LEU  HB3   2.50            
 82  MET  HA     85  LEU  QQD   2.50            
 82  MET  HG3    85  LEU  QQD   3.50            
 82  MET  HG2    85  LEU  QQD   2.50            
 82  MET  HA     86  ARG  H     2.50            
 83  ASP  H      79  LYS  HA    3.50            
 83  ASP  QB     80  ALA  HA    2.50            
 83  ASP  H      80  ALA  HA    2.50            
 83  ASP  QB     80  ALA  QB    4.00            
 83  ASP  H      80  ALA  QB    3.00            
 83  ASP  H      82  MET  HB3   2.50            
 83  ASP  H      82  MET  HB2   2.50            
 83  ASP  HA     82  MET  H     3.50            
 83  ASP  HA     85  LEU  H     2.50            
 83  ASP  HA     86  ARG  HA    4.00            
 83  ASP  HA     86  ARG  HG3   4.00            
 83  ASP  HA     86  ARG  HG2   3.50            
 83  ASP  H      86  ARG  QD    3.50            
 83  ASP  HA     86  ARG  HE    3.50            
 83  ASP  HA     86  ARG  H     2.50            
 83  ASP  HA     87  GLN  H     3.50            
 84  GLU  HG3    80  ALA  QB    3.50            
 84  GLU  HG2    80  ALA  QB    3.50            
 84  GLU  H      80  ALA  QB    3.01            
 84  GLU  HB2    81  SER  HA    3.00            
 84  GLU  HB3    81  SER  HA    3.00            
 84  GLU  HB2    81  SER  HB3   4.00            
 84  GLU  H      81  SER  HA    2.50            
 84  GLU  H      82  MET  QE    4.52            
 84  GLU  H      83  ASP  HB2   2.50            
 84  GLU  HA     83  ASP  HB3   3.50            
 84  GLU  HG3    83  ASP  H     3.50            
 84  GLU  HG2    83  ASP  H     4.00            
 84  GLU  H      83  ASP  H     1.50            
 84  GLU  H      83  ASP  HB3   2.50            
 84  GLU  HB2    85  LEU  H     3.00            
 84  GLU  HG3    85  LEU  QQD   3.50            
 84  GLU  HA     85  LEU  H     2.50            
 84  GLU  HG2    85  LEU  QQD   3.50            
 84  GLU  H      85  LEU  H     1.50            
 84  GLU  H      85  LEU  HB2   2.50            
 84  GLU  HA     86  ARG  H     3.50            
 84  GLU  HA     87  GLN  HE21  4.00            
 84  GLU  HA     87  GLN  H     2.50            
 85  LEU  H      82  MET  HB2   3.50            
 85  LEU  H      84  GLU  HG3   3.50            
 85  LEU  H      84  GLU  HG2   3.50            
 85  LEU  HA     86  ARG  H     2.50            
 85  LEU  HB2    86  ARG  H     2.50            
 85  LEU  H      86  ARG  H     1.50            
 85  LEU  HB3    86  ARG  H     2.50            
 85  LEU  HA     88  ALA  QB    2.50            
 85  LEU  HB3    89  ALA  H     3.50            
 86  ARG  HB2    83  ASP  HA    2.50            
 86  ARG  QB     83  ASP  HB2   3.50            
 86  ARG  HB3    83  ASP  HA    2.50            
 86  ARG  H      85  LEU  QQD   2.50            
 86  ARG  HG3    86  ARG  H     3.50            
 86  ARG  HG3    87  GLN  H     3.50            
 86  ARG  HG2    87  GLN  H     3.50            
 86  ARG  HA     87  GLN  H     2.50            
 86  ARG  HA     88  ALA  H     2.50            
 86  ARG  HA     89  ALA  QB    2.50            
 86  ARG  HG2    90  GLU  HG3   3.50            
 86  ARG  HG3    90  GLU  HG3   3.50            
 86  ARG  HG3    90  GLU  HG2   3.50            
 86  ARG  HA     90  GLU  HG2   3.50            
 86  ARG  HA     90  GLU  HG3   3.50            
 86  ARG  HA     90  GLU  H     2.50            
 86  ARG  HG3    90  GLU  H     2.50            
 87  GLN  HE21   83  ASP  HB3   3.50            
 87  GLN  HG2    84  GLU  HA    3.01            
 87  GLN  H      86  ARG  QD    3.50            
 87  GLN  HG2    86  ARG  H     3.50            
 87  GLN  HG3    86  ARG  H     3.50            
 87  GLN  H      86  ARG  H     1.50            
 87  GLN  HG2    88  ALA  H     2.50            
 87  GLN  HG3    88  ALA  H     2.50            
 87  GLN  QB     88  ALA  H     2.50            
 87  GLN  H      88  ALA  QB    2.50            
 87  GLN  HA     88  ALA  H     1.50            
 87  GLN  HA     90  GLU  H     1.50            
 87  GLN  HA     91  SER  H     1.50            
 89  ALA  H      88  ALA  QB    2.50            
 89  ALA  H      88  ALA  HA    2.50            
 89  ALA  H      88  ALA  H     1.50            
 89  ALA  HA     90  GLU  H     2.50            
 89  ALA  HA     91  SER  H     3.50            
 89  ALA  H      91  SER  H     2.50            
 89  ALA  HA     92  MET  QE    2.50            
 89  ALA  H      92  MET  QE    3.50            
 89  ALA  HA     92  MET  QG    4.50            
 90  GLU  H      87  GLN  H     2.50            
 90  GLU  HA     89  ALA  QB    2.50            
 90  GLU  HG3    89  ALA  QB    3.00            
 90  GLU  HG2    89  ALA  QB    3.00            
 90  GLU  H      89  ALA  QB    2.50            
 90  GLU  H      89  ALA  H     1.50            
 90  GLU  HG3    91  SER  H     3.00            
 90  GLU  HG2    91  SER  H     3.00            
 90  GLU  QB     91  SER  H     2.50            
 90  GLU  H      91  SER  H     1.50            
 91  SER  QB     87  GLN  HG2   4.00            
 91  SER  H      88  ALA  HA    2.00            
 91  SER  HA     90  GLU  QB    3.50            
 91  SER  QB     92  MET  HG3   4.00            
 91  SER  HA     92  MET  HB3   4.50            
 91  SER  HA     93  LYS  H     2.50            
 92  MET  QG     89  ALA  QB    4.52            
 92  MET  HB2    89  ALA  HA    3.00            
 92  MET  HB3    89  ALA  HA    3.50            
 92  MET  HA     93  LYS  H     1.50            
 92  MET  HB2    93  LYS  H     2.50            
 92  MET  HA     95  SER  QB    3.50  #QB         
 92  MET  HA     95  SER  H     1.50            
 93  LYS  QB     90  GLU  HA    2.50            
 93  LYS  H      92  MET  QE    3.50            
 93  LYS  HA     94  ARG  H     2.00            
 93  LYS  HA     95  SER  H     2.50            
 93  LYS  H      95  SER  H     2.50            
 93  LYS  HA     96  TYR  QB    2.50            
 93  LYS  HG3    97  VAL  HB    3.50            
 93  LYS  HG3    97  VAL  QG2   2.51            
 94  ARG  QB     91  SER  HA    2.50            
 94  ARG  H      91  SER  HA    3.50            
 94  ARG  H      92  MET  HA    2.50            
 94  ARG  H      93  LYS  HG2   3.50            
 94  ARG  H      93  LYS  QE    3.50            
 94  ARG  H      93  LYS  QB    2.00            
 94  ARG  H      93  LYS  H     1.50            
 94  ARG  QB     95  SER  QB    4.00  #comb_QB         
 94  ARG  HG2    95  SER  H     3.50            
 94  ARG  QB     95  SER  H     2.50            
 94  ARG  HA     95  SER  H     1.50            
 94  ARG  H      95  SER  H     1.50            
 94  ARG  HG3    95  SER  H     2.50            
 94  ARG  HA     97  VAL  QQG   3.00            
 94  ARG  HA     97  VAL  HB    3.50            
 94  ARG  H      97  VAL  QG2   2.50            
 95  SER  QB     96  TYR  QD    3.50            
 95  SER  QB     98  ALA  QB    4.50  #QB         
 95  SER  HA     98  ALA  QB    3.00            
 96  TYR  QD     92  MET  QE    3.50            
 96  TYR  HB2    95  SER  QB    4.00  #comb_QB         
 96  TYR  H      95  SER  HA    2.50            
 96  TYR  H      95  SER  HB2   2.50            
 96  TYR  H      95  SER  HB3   2.50            
 96  TYR  HA     95  SER  H     3.50            
 96  TYR  QE     97  VAL  QG2   4.00            
 96  TYR  QE     97  VAL  QG1   4.00            
 96  TYR  HB3    97  VAL  HA    4.00            
 96  TYR  HB2    97  VAL  HA    4.00            
 96  TYR  HA     97  VAL  QG2   4.50            
 96  TYR  QB     97  VAL  QQG   3.00            
 96  TYR  QD     97  VAL  QG1   3.00            
 96  TYR  HB3    97  VAL  H     2.50            
 96  TYR  H      97  VAL  QG1   3.50            
 96  TYR  HB2    97  VAL  H     2.50            
 96  TYR  HA     97  VAL  H     1.50            
 96  TYR  H      97  VAL  H     1.50            
 96  TYR  HA     98  ALA  H     4.00            
 96  TYR  HA     99  ASN  QB    4.00            
 96  TYR  HA    100  ASP  H     3.50            
 96  TYR  H     100  ASP  H     4.50            
 96  TYR  H     102  LEU  QD1   4.01            
 96  TYR  QD    102  LEU  QD1   4.00            
 97  VAL  H      94  ARG  HA    2.50            
 97  VAL  H      96  TYR  QD    2.50            
 97  VAL  HA     96  TYR  QE    4.00            
 97  VAL  H      96  TYR  QE    4.00            
 97  VAL  HA     96  TYR  QD    2.50            
 97  VAL  H      98  ALA  QB    3.50            
 97  VAL  HA     98  ALA  QB    3.00            
 97  VAL  HB     98  ALA  QB    3.50            
 97  VAL  QG2    98  ALA  QB    3.50            
 97  VAL  HA    100  ASP  H     3.50            
 97  VAL  H     100  ASP  H     4.50            
 98  ALA  HA     97  VAL  HB    4.00            
 98  ALA  H      97  VAL  HB    2.50            
 98  ALA  H      97  VAL  QG1   2.50            
 98  ALA  H      97  VAL  HA    1.50            
 98  ALA  H      99  ASN  HA    3.50            
 98  ALA  HA    100  ASP  H     3.50            
 99  ASN  H      96  TYR  QD    3.50            
 99  ASN  H      97  VAL  H     3.50            
 99  ASN  HB3    98  ALA  QB    3.50            
 99  ASN  HB2    98  ALA  QB    4.00            
 99  ASN  HA     98  ALA  QB    3.50            
 99  ASN  H      98  ALA  QB    2.50            
 99  ASN  H      98  ALA  H     1.50            
 99  ASN  H      98  ALA  HA    1.50            
 99  ASN  HB3   100  ASP  H     3.50            
 99  ASN  HB2   100  ASP  H     3.50            
100  ASP  H      98  ALA  QB    3.50            
101  PRO  QD     98  ALA  QB    4.00            
101  PRO  QD     98  ALA  H     4.00            
101  PRO  QD     99  ASN  HB3   4.00            
101  PRO  QD     99  ASN  HB2   4.00            
101  PRO  QD    100  ASP  HA    1.50            
101  PRO  QG    100  ASP  HA    3.50  #QG         
101  PRO  QD    100  ASP  H     2.50            
101  PRO  QD    102  LEU  H     2.50            
101  PRO  HG2   102  LEU  H     3.00            
101  PRO  HG2   102  LEU  HG    3.50            
101  PRO  HA    102  LEU  HG    4.00            
101  PRO  HB2   102  LEU  H     2.50            
101  PRO  QD    103  GLU  H     4.00            
102  LEU  H     100  ASP  HA    2.50            
102  LEU  H     101  PRO  HA    1.50            
102  LEU  HA    103  GLU  QB    3.50            
102  LEU  H     103  GLU  HA    3.50            
103  GLU  H     100  ASP  QB    3.50            
103  GLU  H     100  ASP  H     3.50            
103  GLU  H     102  LEU  HA    2.50            
103  GLU  QB    102  LEU  HG    2.50            
103  GLU  HG3   102  LEU  HA    3.50            
103  GLU  H     102  LEU  HB3   3.50            
103  GLU  H     102  LEU  QD1   2.50            
103  GLU  H     102  LEU  HB2   2.50            
103  GLU  H     102  LEU  H     1.50            
103  GLU  H     102  LEU  QD2   2.50            
 13  PHE  QE     25  LEU  QD2   4.00            
 13  PHE  HZ     25  LEU  QD2   4.50            
 13  PHE  QD     25  LEU  QD2   4.50            
 13  PHE  QE     29  VAL  QG1   5.50            
 17  LEU  H      22  PRO  HA    5.50            
 17  LEU  HA     24  ARG  HE    5.50            
 17  LEU  H      25  LEU  QD2   4.00            
 17  LEU  HA     25  LEU  QD2   4.00            
 18  VAL  H      25  LEU  QD2   5.50            
 20  LEU  QD1    24  ARG  H     4.50            
 20  LEU  H      25  LEU  QD2   5.00            
 20  LEU  HA     25  LEU  QD2   5.50            
 20  LEU  QD1    28  ALA  QB    4.50  #add         
 20  LEU  QD2    28  ALA  QB    3.00            
 21  GLY  HA2    17  LEU  QQD   5.50  #w_0mir         
 21  GLY  H      17  LEU  QQD   5.00            
 21  GLY  H      24  ARG  H     5.00            
 21  GLY  H      25  LEU  QD2   5.50            
 22  PRO  HA     17  LEU  QD1   3.50            
 22  PRO  HA     17  LEU  QD2   3.50            
 22  PRO  HA     25  LEU  QD2   4.50            
 22  PRO  QG     17  LEU  QD1   5.00            
 22  PRO  QG     17  LEU  QD2   5.00            
 22  PRO  QG     24  ARG  H     5.01  #comb_QG         
 22  PRO  QD     17  LEU  QD2   5.00            
 22  PRO  QD     17  LEU  QD1   5.00            
 23  GLN  H      24  ARG  HG3   4.01            
 23  GLN  QB     26  PRO  QD    5.00            
 24  ARG  HB2    20  LEU  QD1   5.50            
 24  ARG  HG3    20  LEU  QD2   4.50            
 24  ARG  HB3    20  LEU  QD2   5.50            
 25  LEU  QD2    17  LEU  QB    3.50  #from_amb         
 25  LEU  HA     20  LEU  QD2   4.00            
 25  LEU  H      20  LEU  QD2   5.01            
 27  VAL  H      24  ARG  QD    3.50            
 45  THR  HB     47  GLN  QG    5.50  #QG         
 45  THR  QG2    47  GLN  QG    5.52  #comb_QG         
 45  THR  HA     48  ASN  HD22  5.51            
 45  THR  HA     48  ASN  HD21  5.51            
 45  THR  HA     48  ASN  QB    4.00  #comb_QB         
 45  THR  HA     49  GLU  H     4.50            
 45  THR  HA     50  LEU  H     5.00            
 45  THR  H      50  LEU  QD2   5.52            
 47  GLN  HA     50  LEU  QD2   4.00            
 47  GLN  HA     51  THR  H     4.00            
 48  ASN  QB     45  THR  QG2   5.50  #QB         
 48  ASN  QB     47  GLN  QG    5.50            
 48  ASN  QB     47  GLN  QB    4.50  #comb_QB         
 48  ASN  QB     49  GLU  QB    4.50  #add         
 48  ASN  QB     51  THR  QG2   4.50            
 48  ASN  H      50  LEU  QQD   5.00            
 48  ASN  HD22   51  THR  QG2   4.52            
 48  ASN  HD22   44  THR  QG2   3.50            
 48  ASN  HD21   51  THR  QG2   4.01            
 48  ASN  HD21   44  THR  QG2   3.50            
 49  GLU  H      44  THR  HA    5.01            
 49  GLU  HA     47  GLN  H     5.00            
 49  GLU  HA     51  THR  QG2   5.01            
 49  GLU  H      51  THR  HA    4.50            
 49  GLU  HA     52  GLN  QG    4.50            
 49  GLU  HA     53  GLU  H     5.01            
 49  GLU  HA     53  GLU  QB    4.00            
 49  GLU  HA     54  LEU  H     5.53            
 50  LEU  QD2    47  GLN  HG2   5.01            
 50  LEU  H      53  GLU  H     4.50            
 50  LEU  H      54  LEU  HB3   5.00            
 51  THR  HB     44  THR  HA    5.52            
 51  THR  HB     44  THR  HA    5.52            
 51  THR  HB     50  LEU  QQD   4.50            
 51  THR  HA     54  LEU  QB    5.01            
 51  THR  HA     54  LEU  QQD   5.01            
 51  THR  HB     54  LEU  H     5.01            
 52  GLN  H      48  ASN  HA    5.50            
 52  GLN  H      50  LEU  QD2   5.00            
 52  GLN  H      54  LEU  QQD   5.50            
 52  GLN  H      56  LEU  QD2   5.51            
 53  GLU  H      50  LEU  QQD   5.01  #QQD         
 53  GLU  QB     50  LEU  QD2   4.50            
 53  GLU  H      51  THR  H     4.00            
 54  LEU  H      50  LEU  QD2   4.50            
 55  LYS  H      52  GLN  QG    5.01  #QG         
 55  LYS  QG     54  LEU  H     4.50  #modi_QG         
 55  LYS  QG     56  LEU  HB3   4.52  #ov         
 56  LEU  HB3    51  THR  H     5.01            
 56  LEU  QD1    52  GLN  QG    5.50            
 56  LEU  HA     59  PHE  QD    5.00            
 56  LEU  HA     59  PHE  QB    4.00            
 56  LEU  QB     59  PHE  QD    5.00            
 57  GLN  QE2    51  THR  QG2   5.51  #n_w         
 57  GLN  H      54  LEU  HA    4.50  #from_amb         
 57  GLN  HE21   54  LEU  QQD   5.00            
 57  GLN  QG     54  LEU  QQD   5.00            
 57  GLN  HE22   54  LEU  QQD   5.00            
 57  GLN  HE21   55  LYS  HA    5.00            
 58  GLU  H      56  LEU  HA    5.00            
 59  PHE  QD     50  LEU  QD2   5.00            
 59  PHE  QD     54  LEU  QQD   5.00            
 59  PHE  H      54  LEU  QQD   5.00            
 59  PHE  QD     56  LEU  QQD   5.51            
 59  PHE  H      56  LEU  QD1   5.00            
 59  PHE  H      56  LEU  QB    5.01  #comb_QB         
 59  PHE  H      60  GLN  QG    5.51            
 60  GLN  QG     59  PHE  QD    5.51  #QG_OV_test         
 60  GLN  QG     56  LEU  QQD   5.01  #QQD         
 67  GLU  HA     78  LEU  QD2   5.01            
 68  LYS  QD     78  LEU  QD1   4.00            
 70  SER  H      74  LEU  QD1   4.50            
 70  SER  H      78  LEU  QQD   5.01            
 71  LEU  H      68  LYS  HG2   5.01            
 71  LEU  HG     72  THR  QG2   5.51            
 71  LEU  HA     74  LEU  QD2   3.50            
 71  LEU  HA     74  LEU  QD1   4.00            
 71  LEU  HB3    75  THR  H     4.50            
 71  LEU  HA     75  THR  QG2   4.50            
 71  LEU  H      78  LEU  QD1   4.00            
 72  THR  HB     74  LEU  QQD   5.00            
 72  THR  QG2    78  LEU  QQD   4.50  #add         
 72  THR  HB     78  LEU  QD1   5.51  #?         
 72  THR  HA     79  LYS  HA    5.50            
 72  THR  QG2    82  MET  QE    3.50            
 73  ASN  H      71  LEU  H     3.50            
 74  LEU  QD1    69  ALA  QB    5.01            
 74  LEU  HB2    71  LEU  QD1   4.00            
 74  LEU  HA     71  LEU  QD1   5.01            
 74  LEU  HA     78  LEU  QD2   5.52            
 78  LEU  QB     72  THR  QG2   5.00            
 78  LEU  HG     72  THR  QG2   4.01            
 78  LEU  QB     75  THR  QG2   5.00            
 79  LYS  QG     74  LEU  QD2   5.50            
 79  LYS  H      75  THR  QG2   5.50            
 79  LYS  QE     75  THR  QG2   5.00            
 13  PHE  QE     25  LEU  QD2   4.00            
 13  PHE  HZ     25  LEU  QD2   4.50            
 13  PHE  QD     25  LEU  QD2   4.50            
 13  PHE  QE     29  VAL  QG1   5.50            
 17  LEU  H      22  PRO  HA    5.50            
 17  LEU  HA     24  ARG  HE    5.50            
 17  LEU  H      25  LEU  QD2   4.00            
 17  LEU  HA     25  LEU  QD2   4.00            
 18  VAL  H      25  LEU  QD2   5.50            
 20  LEU  QD1    24  ARG  H     4.50            
 20  LEU  H      25  LEU  QD2   5.00            
 20  LEU  HA     25  LEU  QD2   5.50            
 20  LEU  QD1    28  ALA  QB    4.50  #add         
 20  LEU  QD2    28  ALA  QB    3.00            
 21  GLY  HA2    17  LEU  QQD   5.50  #w_0mir         
 21  GLY  H      17  LEU  QQD   5.00            
 21  GLY  H      24  ARG  H     5.00            
 21  GLY  H      25  LEU  QD2   5.50            
 22  PRO  HA     17  LEU  QD1   3.50            
 22  PRO  HA     17  LEU  QD2   3.50            
 22  PRO  HA     25  LEU  QD2   4.50            
 22  PRO  QG     17  LEU  QD1   5.00            
 22  PRO  QG     17  LEU  QD2   5.00            
 22  PRO  QG     24  ARG  H     5.01  #comb_QG         
 22  PRO  QD     17  LEU  QD2   5.00            
 22  PRO  QD     17  LEU  QD1   5.00            
 23  GLN  H      24  ARG  HG3   4.01            
 23  GLN  QB     26  PRO  QD    5.00            
 24  ARG  HB2    20  LEU  QD1   5.50            
 24  ARG  HG3    20  LEU  QD2   4.50            
 24  ARG  HB3    20  LEU  QD2   5.50            
 25  LEU  QD2    17  LEU  QB    3.50  #from_amb         
 25  LEU  HA     20  LEU  QD2   4.00            
 25  LEU  H      20  LEU  QD2   5.01            
 27  VAL  H      24  ARG  QD    3.50            
 45  THR  HB     47  GLN  QG    5.50  #QG         
 45  THR  QG2    47  GLN  QG    5.52  #comb_QG         
 45  THR  HA     48  ASN  HD22  5.51            
 45  THR  HA     48  ASN  HD21  5.51            
 45  THR  HA     48  ASN  QB    4.00  #comb_QB         
 45  THR  HA     49  GLU  H     4.50            
 45  THR  HA     50  LEU  H     5.00            
 45  THR  H      50  LEU  QD2   5.52            
 47  GLN  HA     50  LEU  QD2   4.00            
 47  GLN  HA     51  THR  H     4.00            
 48  ASN  QB     45  THR  QG2   5.50  #QB         
 48  ASN  QB     47  GLN  QG    5.50            
 48  ASN  QB     47  GLN  QB    4.50  #comb_QB         
 48  ASN  QB     49  GLU  QB    4.50  #add         
 48  ASN  QB     51  THR  QG2   4.50            
 48  ASN  H      50  LEU  QQD   5.00            
 48  ASN  HD22   51  THR  QG2   4.52            
 48  ASN  HD22   44  THR  QG2   3.50            
 48  ASN  HD21   51  THR  QG2   4.01            
 48  ASN  HD21   44  THR  QG2   3.50            
 49  GLU  H      44  THR  HA    5.01            
 49  GLU  HA     47  GLN  H     5.00            
 49  GLU  HA     51  THR  QG2   5.01            
 49  GLU  H      51  THR  HA    4.50            
 49  GLU  HA     52  GLN  QG    4.50            
 49  GLU  HA     53  GLU  H     5.01            
 49  GLU  HA     53  GLU  QB    4.00            
 49  GLU  HA     54  LEU  H     5.53            
 50  LEU  QD2    47  GLN  HG2   5.01            
 50  LEU  H      53  GLU  H     4.50            
 50  LEU  H      54  LEU  HB3   5.00            
 51  THR  HB     44  THR  HA    5.52            
 51  THR  HB     44  THR  HA    5.52            
 51  THR  HB     50  LEU  QQD   4.50            
 51  THR  HA     54  LEU  QB    5.01            
 51  THR  HA     54  LEU  QQD   5.01            
 51  THR  HB     54  LEU  H     5.01            
 52  GLN  H      48  ASN  HA    5.50            
 52  GLN  H      50  LEU  QD2   5.00            
 52  GLN  H      54  LEU  QQD   5.50            
 52  GLN  H      56  LEU  QD2   5.51            
 53  GLU  H      50  LEU  QQD   5.01  #QQD         
 53  GLU  QB     50  LEU  QD2   4.50            
 53  GLU  H      51  THR  H     4.00            
 54  LEU  H      50  LEU  QD2   4.50            
 55  LYS  H      52  GLN  QG    5.01  #QG         
 55  LYS  QG     54  LEU  H     4.50  #modi_QG         
 55  LYS  QG     56  LEU  HB3   4.52  #ov         
 56  LEU  HB3    51  THR  H     5.01            
 56  LEU  QD1    52  GLN  QG    5.50            
 56  LEU  HA     59  PHE  QD    5.00            
 56  LEU  HA     59  PHE  QB    4.00            
 56  LEU  QB     59  PHE  QD    5.00            
 57  GLN  QE2    51  THR  QG2   5.51  #n_w         
 57  GLN  H      54  LEU  HA    4.50  #from_amb         
 57  GLN  HE21   54  LEU  QQD   5.00            
 57  GLN  QG     54  LEU  QQD   5.00            
 57  GLN  HE22   54  LEU  QQD   5.00            
 57  GLN  HE21   55  LYS  HA    5.00            
 58  GLU  H      56  LEU  HA    5.00            
 59  PHE  QD     50  LEU  QD2   5.00            
 59  PHE  QD     54  LEU  QQD   5.00            
 59  PHE  H      54  LEU  QQD   5.00            
 59  PHE  QD     56  LEU  QQD   5.51            
 59  PHE  H      56  LEU  QD1   5.00            
 59  PHE  H      56  LEU  QB    5.01  #comb_QB         
 59  PHE  H      60  GLN  QG    5.51            
 60  GLN  QG     59  PHE  QD    5.51  #QG_OV_test         
 60  GLN  QG     56  LEU  QQD   5.01  #QQD         
 67  GLU  HA     78  LEU  QD2   5.01            
 68  LYS  QD     78  LEU  QD1   4.00            
 70  SER  H      74  LEU  QD1   4.50            
 70  SER  H      78  LEU  QQD   5.01            
 71  LEU  H      68  LYS  HG2   5.01            
 71  LEU  HG     72  THR  QG2   5.51            
 71  LEU  HA     74  LEU  QD2   3.50            
 71  LEU  HA     74  LEU  QD1   4.00            
 71  LEU  HB3    75  THR  H     4.50            
 71  LEU  HA     75  THR  QG2   4.50            
 71  LEU  H      78  LEU  QD1   4.00            
 72  THR  HB     74  LEU  QQD   5.00            
 72  THR  QG2    78  LEU  QQD   4.50  #add         
 72  THR  HB     78  LEU  QD1   5.51  #?         
 72  THR  HA     79  LYS  HA    5.50            
 72  THR  QG2    82  MET  QE    3.50            
 73  ASN  H      71  LEU  H     3.50            
 74  LEU  QD1    69  ALA  QB    5.01            
 74  LEU  HB2    71  LEU  QD1   4.00            
 74  LEU  HA     71  LEU  QD1   5.01            
 74  LEU  HA     78  LEU  QD2   5.52            
 78  LEU  QB     72  THR  QG2   5.00            
 78  LEU  HG     72  THR  QG2   4.01            
 78  LEU  QB     75  THR  QG2   5.00            
 79  LYS  QG     74  LEU  QD2   5.50            
 79  LYS  H      75  THR  QG2   5.50            
 79  LYS  QE     75  THR  QG2   5.00            
 13  PHE  QE     25  LEU  QD2   4.00            
 13  PHE  HZ     25  LEU  QD2   4.50            
 13  PHE  QD     25  LEU  QD2   4.50            
 13  PHE  QE     29  VAL  QG1   5.50            
 17  LEU  H      22  PRO  HA    5.50            
 17  LEU  HA     24  ARG  HE    5.50            
 17  LEU  H      25  LEU  QD2   4.00            
 17  LEU  HA     25  LEU  QD2   4.00            
 18  VAL  H      25  LEU  QD2   5.50            
 20  LEU  QD1    24  ARG  H     4.50            
 20  LEU  H      25  LEU  QD2   5.00            
 20  LEU  HA     25  LEU  QD2   5.50            
 20  LEU  QD1    28  ALA  QB    4.50  #add         
 20  LEU  QD2    28  ALA  QB    3.00            
 21  GLY  HA2    17  LEU  QQD   5.50  #w_0mir         
 21  GLY  H      17  LEU  QQD   5.00            
 21  GLY  H      24  ARG  H     5.00            
 21  GLY  H      25  LEU  QD2   5.50            
 22  PRO  HA     17  LEU  QD1   3.50            
 22  PRO  HA     17  LEU  QD2   3.50            
 22  PRO  HA     25  LEU  QD2   4.50            
 22  PRO  QG     17  LEU  QD1   5.00            
 22  PRO  QG     17  LEU  QD2   5.00            
 22  PRO  QG     24  ARG  H     5.01  #comb_QG         
 22  PRO  QD     17  LEU  QD2   5.00            
 22  PRO  QD     17  LEU  QD1   5.00            
 23  GLN  H      24  ARG  HG3   4.01            
 23  GLN  QB     26  PRO  QD    5.00            
 24  ARG  HB2    20  LEU  QD1   5.50            
 24  ARG  HG3    20  LEU  QD2   4.50            
 24  ARG  HB3    20  LEU  QD2   5.50            
 25  LEU  QD2    17  LEU  QB    3.50  #from_amb         
 25  LEU  HA     20  LEU  QD2   4.00            
 25  LEU  H      20  LEU  QD2   5.01            
 27  VAL  H      24  ARG  QD    3.50            
 45  THR  HB     47  GLN  QG    5.50  #QG         
 45  THR  QG2    47  GLN  QG    5.52  #comb_QG         
 45  THR  HA     48  ASN  HD22  5.51            
 45  THR  HA     48  ASN  HD21  5.51            
 45  THR  HA     48  ASN  QB    4.00  #comb_QB         
 45  THR  HA     49  GLU  H     4.50            
 45  THR  HA     50  LEU  H     5.00            
 45  THR  H      50  LEU  QD2   5.52            
 47  GLN  HA     50  LEU  QD2   4.00            
 47  GLN  HA     51  THR  H     4.00            
 48  ASN  QB     45  THR  QG2   5.50  #QB         
 48  ASN  QB     47  GLN  QG    5.50            
 48  ASN  QB     47  GLN  QB    4.50  #comb_QB         
 48  ASN  QB     49  GLU  QB    4.50  #add         
 48  ASN  QB     51  THR  QG2   4.50            
 48  ASN  H      50  LEU  QQD   5.00            
 48  ASN  HD22   51  THR  QG2   4.52            
 48  ASN  HD22   44  THR  QG2   3.50            
 48  ASN  HD21   51  THR  QG2   4.01            
 48  ASN  HD21   44  THR  QG2   3.50            
 49  GLU  H      44  THR  HA    5.01            
 49  GLU  HA     47  GLN  H     5.00            
 49  GLU  HA     51  THR  QG2   5.01            
 49  GLU  H      51  THR  HA    4.50            
 49  GLU  HA     52  GLN  QG    4.50            
 49  GLU  HA     53  GLU  H     5.01            
 49  GLU  HA     53  GLU  QB    4.00            
 49  GLU  HA     54  LEU  H     5.53            
 50  LEU  QD2    47  GLN  HG2   5.01            
 50  LEU  H      53  GLU  H     4.50            
 50  LEU  H      54  LEU  HB3   5.00            
 51  THR  HB     44  THR  HA    5.52            
 51  THR  HB     44  THR  HA    5.52            
 51  THR  HB     50  LEU  QQD   4.50            
 51  THR  HA     54  LEU  QB    5.01            
 51  THR  HA     54  LEU  QQD   5.01            
 51  THR  HB     54  LEU  H     5.01            
 52  GLN  H      48  ASN  HA    5.50            
 52  GLN  H      50  LEU  QD2   5.00            
 52  GLN  H      54  LEU  QQD   5.50            
 52  GLN  H      56  LEU  QD2   5.51            
 53  GLU  H      50  LEU  QQD   5.01  #QQD         
 53  GLU  QB     50  LEU  QD2   4.50            
 53  GLU  H      51  THR  H     4.00            
 54  LEU  H      50  LEU  QD2   4.50            
 55  LYS  H      52  GLN  QG    5.01  #QG         
 55  LYS  QG     54  LEU  H     4.50  #modi_QG         
 55  LYS  QG     56  LEU  HB3   4.52  #ov         
 56  LEU  HB3    51  THR  H     5.01            
 56  LEU  QD1    52  GLN  QG    5.50            
 56  LEU  HA     59  PHE  QD    5.00            
 56  LEU  HA     59  PHE  QB    4.00            
 56  LEU  QB     59  PHE  QD    5.00            
 57  GLN  QE2    51  THR  QG2   5.51  #n_w         
 57  GLN  H      54  LEU  HA    4.50  #from_amb         
 57  GLN  HE21   54  LEU  QQD   5.00            
 57  GLN  QG     54  LEU  QQD   5.00            
 57  GLN  HE22   54  LEU  QQD   5.00            
 57  GLN  HE21   55  LYS  HA    5.00            
 58  GLU  H      56  LEU  HA    5.00            
 59  PHE  QD     50  LEU  QD2   5.00            
 59  PHE  QD     54  LEU  QQD   5.00            
 59  PHE  H      54  LEU  QQD   5.00            
 59  PHE  QD     56  LEU  QQD   5.51            
 59  PHE  H      56  LEU  QD1   5.00            
 59  PHE  H      56  LEU  QB    5.01  #comb_QB         
 59  PHE  H      60  GLN  QG    5.51            
 60  GLN  QG     59  PHE  QD    5.51  #QG_OV_test         
 60  GLN  QG     56  LEU  QQD   5.01  #QQD         
 67  GLU  HA     78  LEU  QD2   5.01            
 68  LYS  QD     78  LEU  QD1   4.00            
 70  SER  H      74  LEU  QD1   4.50            
 70  SER  H      78  LEU  QQD   5.01            
 71  LEU  H      68  LYS  HG2   5.01            
 71  LEU  HG     72  THR  QG2   5.51            
 71  LEU  HA     74  LEU  QD2   3.50            
 71  LEU  HA     74  LEU  QD1   4.00            
 71  LEU  HB3    75  THR  H     4.50            
 71  LEU  HA     75  THR  QG2   4.50            
 71  LEU  H      78  LEU  QD1   4.00            
 72  THR  HB     74  LEU  QQD   5.00            
 72  THR  QG2    78  LEU  QQD   4.50  #add         
 72  THR  HB     78  LEU  QD1   5.51  #?         
 72  THR  HA     79  LYS  HA    5.50            
 72  THR  QG2    82  MET  QE    3.50            
 73  ASN  H      71  LEU  H     3.50            
 74  LEU  QD1    69  ALA  QB    5.01            
 74  LEU  HB2    71  LEU  QD1   4.00            
 74  LEU  HA     71  LEU  QD1   5.01            
 74  LEU  HA     78  LEU  QD2   5.52            
 78  LEU  QB     72  THR  QG2   5.00            
 78  LEU  HG     72  THR  QG2   4.01            
 78  LEU  QB     75  THR  QG2   5.00            
 79  LYS  QG     74  LEU  QD2   5.50            
 79  LYS  H      75  THR  QG2   5.50            
 79  LYS  QE     75  THR  QG2   5.00            
 13  PHE  QE     25  LEU  QD2   4.00            
 13  PHE  HZ     25  LEU  QD2   4.50            
 13  PHE  QD     25  LEU  QD2   4.50            
 13  PHE  QE     29  VAL  QG1   5.50            
 17  LEU  H      22  PRO  HA    5.50            
 17  LEU  HA     24  ARG  HE    5.50            
 17  LEU  H      25  LEU  QD2   4.00            
 17  LEU  HA     25  LEU  QD2   4.00            
 18  VAL  H      25  LEU  QD2   5.50            
 20  LEU  QD1    24  ARG  H     4.50            
 20  LEU  H      25  LEU  QD2   5.00            
 20  LEU  HA     25  LEU  QD2   5.50            
 20  LEU  QD1    28  ALA  QB    4.50  #add         
 20  LEU  QD2    28  ALA  QB    3.00            
 21  GLY  HA2    17  LEU  QQD   5.50  #w_0mir         
 21  GLY  H      17  LEU  QQD   5.00            
 21  GLY  H      24  ARG  H     5.00            
 21  GLY  H      25  LEU  QD2   5.50            
 22  PRO  HA     17  LEU  QD1   3.50            
 22  PRO  HA     17  LEU  QD2   3.50            
 22  PRO  HA     25  LEU  QD2   4.50            
 22  PRO  QG     17  LEU  QD1   5.00            
 22  PRO  QG     17  LEU  QD2   5.00            
 22  PRO  QG     24  ARG  H     5.01  #comb_QG         
 22  PRO  QD     17  LEU  QD2   5.00            
 22  PRO  QD     17  LEU  QD1   5.00            
 23  GLN  H      24  ARG  HG3   4.01            
 23  GLN  QB     26  PRO  QD    5.00            
 24  ARG  HB2    20  LEU  QD1   5.50            
 24  ARG  HG3    20  LEU  QD2   4.50            
 24  ARG  HB3    20  LEU  QD2   5.50            
 25  LEU  QD2    17  LEU  QB    3.50  #from_amb         
 25  LEU  HA     20  LEU  QD2   4.00            
 25  LEU  H      20  LEU  QD2   5.01            
 27  VAL  H      24  ARG  QD    3.50            
 45  THR  HB     47  GLN  QG    5.50  #QG         
 45  THR  QG2    47  GLN  QG    5.52  #comb_QG         
 45  THR  HA     48  ASN  HD22  5.51            
 45  THR  HA     48  ASN  HD21  5.51            
 45  THR  HA     48  ASN  QB    4.00  #comb_QB         
 45  THR  HA     49  GLU  H     4.50            
 45  THR  HA     50  LEU  H     5.00            
 45  THR  H      50  LEU  QD2   5.52            
 47  GLN  HA     50  LEU  QD2   4.00            
 47  GLN  HA     51  THR  H     4.00            
 48  ASN  QB     45  THR  QG2   5.50  #QB         
 48  ASN  QB     47  GLN  QG    5.50            
 48  ASN  QB     47  GLN  QB    4.50  #comb_QB         
 48  ASN  QB     49  GLU  QB    4.50  #add         
 48  ASN  QB     51  THR  QG2   4.50            
 48  ASN  H      50  LEU  QQD   5.00            
 48  ASN  HD22   51  THR  QG2   4.52            
 48  ASN  HD22   44  THR  QG2   3.50            
 48  ASN  HD21   51  THR  QG2   4.01            
 48  ASN  HD21   44  THR  QG2   3.50            
 49  GLU  H      44  THR  HA    5.01            
 49  GLU  HA     47  GLN  H     5.00            
 49  GLU  HA     51  THR  QG2   5.01            
 49  GLU  H      51  THR  HA    4.50            
 49  GLU  HA     52  GLN  QG    4.50            
 49  GLU  HA     53  GLU  H     5.01            
 49  GLU  HA     53  GLU  QB    4.00            
 49  GLU  HA     54  LEU  H     5.53            
 50  LEU  QD2    47  GLN  HG2   5.01            
 50  LEU  H      53  GLU  H     4.50            
 50  LEU  H      54  LEU  HB3   5.00            
 51  THR  HB     44  THR  HA    5.52            
 51  THR  HB     44  THR  HA    5.52            
 51  THR  HB     50  LEU  QQD   4.50            
 51  THR  HA     54  LEU  QB    5.01            
 51  THR  HA     54  LEU  QQD   5.01            
 51  THR  HB     54  LEU  H     5.01            
 52  GLN  H      48  ASN  HA    5.50            
 52  GLN  H      50  LEU  QD2   5.00            
 52  GLN  H      54  LEU  QQD   5.50            
 52  GLN  H      56  LEU  QD2   5.51            
 53  GLU  H      50  LEU  QQD   5.01  #QQD         
 53  GLU  QB     50  LEU  QD2   4.50            
 53  GLU  H      51  THR  H     4.00            
 54  LEU  H      50  LEU  QD2   4.50            
 55  LYS  H      52  GLN  QG    5.01  #QG         
 55  LYS  QG     54  LEU  H     4.50  #modi_QG         
 55  LYS  QG     56  LEU  HB3   4.52  #ov         
 56  LEU  HB3    51  THR  H     5.01            
 56  LEU  QD1    52  GLN  QG    5.50            
 56  LEU  HA     59  PHE  QD    5.00            
 56  LEU  HA     59  PHE  QB    4.00            
 56  LEU  QB     59  PHE  QD    5.00            
 57  GLN  QE2    51  THR  QG2   5.51  #n_w         
 57  GLN  H      54  LEU  HA    4.50  #from_amb         
 57  GLN  HE21   54  LEU  QQD   5.00            
 57  GLN  QG     54  LEU  QQD   5.00            
 57  GLN  HE22   54  LEU  QQD   5.00            
 57  GLN  HE21   55  LYS  HA    5.00            
 58  GLU  H      56  LEU  HA    5.00            
 59  PHE  QD     50  LEU  QD2   5.00            
 59  PHE  QD     54  LEU  QQD   5.00            
 59  PHE  H      54  LEU  QQD   5.00            
 59  PHE  QD     56  LEU  QQD   5.51            
 59  PHE  H      56  LEU  QD1   5.00            
 59  PHE  H      56  LEU  QB    5.01  #comb_QB         
 59  PHE  H      60  GLN  QG    5.51            
 60  GLN  QG     59  PHE  QD    5.51  #QG_OV_test         
 60  GLN  QG     56  LEU  QQD   5.01  #QQD         
 67  GLU  HA     78  LEU  QD2   5.01            
 68  LYS  QD     78  LEU  QD1   4.00            
 70  SER  H      74  LEU  QD1   4.50            
 70  SER  H      78  LEU  QQD   5.01            
 71  LEU  H      68  LYS  HG2   5.01            
 71  LEU  HG     72  THR  QG2   5.51            
 71  LEU  HA     74  LEU  QD2   3.50            
 71  LEU  HA     74  LEU  QD1   4.00            
 71  LEU  HB3    75  THR  H     4.50            
 71  LEU  HA     75  THR  QG2   4.50            
 71  LEU  H      78  LEU  QD1   4.00            
 72  THR  HB     74  LEU  QQD   5.00            
 72  THR  QG2    78  LEU  QQD   4.50  #add         
 72  THR  HB     78  LEU  QD1   5.51  #?         
 72  THR  HA     79  LYS  HA    5.50            
 72  THR  QG2    82  MET  QE    3.50            
 73  ASN  H      71  LEU  H     3.50            
 74  LEU  QD1    69  ALA  QB    5.01            
 74  LEU  HB2    71  LEU  QD1   4.00            
 74  LEU  HA     71  LEU  QD1   5.01            
 74  LEU  HA     78  LEU  QD2   5.52            
 78  LEU  QB     72  THR  QG2   5.00            
 78  LEU  HG     72  THR  QG2   4.01            
 78  LEU  QB     75  THR  QG2   5.00            
 79  LYS  QG     74  LEU  QD2   5.50            
 79  LYS  H      75  THR  QG2   5.50            
 79  LYS  QE     75  THR  QG2   5.00            
 13  PHE  QE     25  LEU  QD2   4.00            
 13  PHE  HZ     25  LEU  QD2   4.50            
 13  PHE  QD     25  LEU  QD2   4.50            
 13  PHE  QE     29  VAL  QG1   5.50            
 17  LEU  H      22  PRO  HA    5.50            
 17  LEU  HA     24  ARG  HE    5.50            
 17  LEU  H      25  LEU  QD2   4.00            
 17  LEU  HA     25  LEU  QD2   4.00            
 18  VAL  H      25  LEU  QD2   5.50            
 20  LEU  QD1    24  ARG  H     4.50            
 20  LEU  H      25  LEU  QD2   5.00            
 20  LEU  HA     25  LEU  QD2   5.50            
 20  LEU  QD1    28  ALA  QB    4.50  #add         
 20  LEU  QD2    28  ALA  QB    3.00            
 21  GLY  HA2    17  LEU  QQD   5.50  #w_0mir         
 21  GLY  H      17  LEU  QQD   5.00            
 21  GLY  H      24  ARG  H     5.00            
 21  GLY  H      25  LEU  QD2   5.50            
 22  PRO  HA     17  LEU  QD1   3.50            
 22  PRO  HA     17  LEU  QD2   3.50            
 22  PRO  HA     25  LEU  QD2   4.50            
 22  PRO  QG     17  LEU  QD1   5.00            
 22  PRO  QG     17  LEU  QD2   5.00            
 22  PRO  QG     24  ARG  H     5.01  #comb_QG         
 22  PRO  QD     17  LEU  QD2   5.00            
 22  PRO  QD     17  LEU  QD1   5.00            
 23  GLN  H      24  ARG  HG3   4.01            
 23  GLN  QB     26  PRO  QD    5.00            
 24  ARG  HB2    20  LEU  QD1   5.50            
 24  ARG  HG3    20  LEU  QD2   4.50            
 24  ARG  HB3    20  LEU  QD2   5.50            
 25  LEU  QD2    17  LEU  QB    3.50  #from_amb         
 25  LEU  HA     20  LEU  QD2   4.00            
 25  LEU  H      20  LEU  QD2   5.01            
 27  VAL  H      24  ARG  QD    3.50            
 45  THR  HB     47  GLN  QG    5.50  #QG         
 45  THR  QG2    47  GLN  QG    5.52  #comb_QG         
 45  THR  HA     48  ASN  HD22  5.51            
 45  THR  HA     48  ASN  HD21  5.51            
 45  THR  HA     48  ASN  QB    4.00  #comb_QB         
 45  THR  HA     49  GLU  H     4.50            
 45  THR  HA     50  LEU  H     5.00            
 45  THR  H      50  LEU  QD2   5.52            
 47  GLN  HA     50  LEU  QD2   4.00            
 47  GLN  HA     51  THR  H     4.00            
 48  ASN  QB     45  THR  QG2   5.50  #QB         
 48  ASN  QB     47  GLN  QG    5.50            
 48  ASN  QB     47  GLN  QB    4.50  #comb_QB         
 48  ASN  QB     49  GLU  QB    4.50  #add         
 48  ASN  QB     51  THR  QG2   4.50            
 48  ASN  H      50  LEU  QQD   5.00            
 48  ASN  HD22   51  THR  QG2   4.52            
 48  ASN  HD22   44  THR  QG2   3.50            
 48  ASN  HD21   51  THR  QG2   4.01            
 48  ASN  HD21   44  THR  QG2   3.50            
 49  GLU  H      44  THR  HA    5.01            
 49  GLU  HA     47  GLN  H     5.00            
 49  GLU  HA     51  THR  QG2   5.01            
 49  GLU  H      51  THR  HA    4.50            
 49  GLU  HA     52  GLN  QG    4.50            
 49  GLU  HA     53  GLU  H     5.01            
 49  GLU  HA     53  GLU  QB    4.00            
 49  GLU  HA     54  LEU  H     5.53            
 50  LEU  QD2    47  GLN  HG2   5.01            
 50  LEU  H      53  GLU  H     4.50            
 50  LEU  H      54  LEU  HB3   5.00            
 51  THR  HB     44  THR  HA    5.52            
 51  THR  HB     44  THR  HA    5.52            
 51  THR  HB     50  LEU  QQD   4.50            
 51  THR  HA     54  LEU  QB    5.01            
 51  THR  HA     54  LEU  QQD   5.01            
 51  THR  HB     54  LEU  H     5.01            
 52  GLN  H      48  ASN  HA    5.50            
 52  GLN  H      50  LEU  QD2   5.00            
 52  GLN  H      54  LEU  QQD   5.50            
 52  GLN  H      56  LEU  QD2   5.51            
 53  GLU  H      50  LEU  QQD   5.01  #QQD         
 53  GLU  QB     50  LEU  QD2   4.50            
 53  GLU  H      51  THR  H     4.00            
 54  LEU  H      50  LEU  QD2   4.50            
 55  LYS  H      52  GLN  QG    5.01  #QG         
 55  LYS  QG     54  LEU  H     4.50  #modi_QG         
 55  LYS  QG     56  LEU  HB3   4.52  #ov         
 56  LEU  HB3    51  THR  H     5.01            
 56  LEU  QD1    52  GLN  QG    5.50            
 56  LEU  HA     59  PHE  QD    5.00            
 56  LEU  HA     59  PHE  QB    4.00            
 56  LEU  QB     59  PHE  QD    5.00            
 57  GLN  QE2    51  THR  QG2   5.51  #n_w         
 57  GLN  H      54  LEU  HA    4.50  #from_amb         
 57  GLN  HE21   54  LEU  QQD   5.00            
 57  GLN  QG     54  LEU  QQD   5.00            
 57  GLN  HE22   54  LEU  QQD   5.00            
 57  GLN  HE21   55  LYS  HA    5.00            
 58  GLU  H      56  LEU  HA    5.00            
 59  PHE  QD     50  LEU  QD2   5.00            
 59  PHE  QD     54  LEU  QQD   5.00            
 59  PHE  H      54  LEU  QQD   5.00            
 59  PHE  QD     56  LEU  QQD   5.51            
 59  PHE  H      56  LEU  QD1   5.00            
 59  PHE  H      56  LEU  QB    5.01  #comb_QB         
 59  PHE  H      60  GLN  QG    5.51            
 60  GLN  QG     59  PHE  QD    5.51  #QG_OV_test         
 60  GLN  QG     56  LEU  QQD   5.01  #QQD         
 67  GLU  HA     78  LEU  QD2   5.01            
 68  LYS  QD     78  LEU  QD1   4.00            
 70  SER  H      74  LEU  QD1   4.50            
 70  SER  H      78  LEU  QQD   5.01            
 71  LEU  H      68  LYS  HG2   5.01            
 71  LEU  HG     72  THR  QG2   5.51            
 71  LEU  HA     74  LEU  QD2   3.50            
 71  LEU  HA     74  LEU  QD1   4.00            
 71  LEU  HB3    75  THR  H     4.50            
 71  LEU  HA     75  THR  QG2   4.50            
 71  LEU  H      78  LEU  QD1   4.00            
 72  THR  HB     74  LEU  QQD   5.00            
 72  THR  QG2    78  LEU  QQD   4.50  #add         
 72  THR  HB     78  LEU  QD1   5.51  #?         
 72  THR  HA     79  LYS  HA    5.50            
 72  THR  QG2    82  MET  QE    3.50            
 73  ASN  H      71  LEU  H     3.50            
 74  LEU  QD1    69  ALA  QB    5.01            
 74  LEU  HB2    71  LEU  QD1   4.00            
 74  LEU  HA     71  LEU  QD1   5.01            
 74  LEU  HA     78  LEU  QD2   5.52            
 78  LEU  QB     72  THR  QG2   5.00            
 78  LEU  HG     72  THR  QG2   4.01            
 78  LEU  QB     75  THR  QG2   5.00            
 79  LYS  QG     74  LEU  QD2   5.50            
 79  LYS  H      75  THR  QG2   5.50            
 79  LYS  QE     75  THR  QG2   5.00            


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