NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
1420 1ak8 cing 1-original 3 DYANA/DIANA distance NOE simple


#
# Constraints from 1D-NOE difference spectra:
# distances calculated with the steady-state approximation
# assumed selective T1i = 150 ms
# 0.5 A added for distances involving methyls or CZ/CG of Phe
#
 20 ASP-
         HA     20 ASP- HN      3.00
         HA     20 ASP- HB2     2.70
         HA     20 ASP- HB3     3.10
         HA     21 LYS+ HN      2.60
         HA     27 ILE  HG12    3.00
         HA     27 ILE  QG2     4.20
         HA     27 ILE  QD1     4.50
         HA     31 GLU- HB3     4.20
         HB2    16 PHE  CZ      3.90
         HB2    20 ASP- HN      2.90
         HB2    20 ASP- HA      3.00
         HB2    20 ASP- HB3     2.10
         HB2    27 ILE  HG13    3.35
         HB2    27 ILE  QD1     4.00
 22 ASP-
         HN     21 LYS+ HN      2.95
         HN     23 GLY  HN      2.75
 24 ASP-
         HN     22 ASP- HN      5.00
         HN     23 GLY  HN      3.25 
         HN     25 GLY  HN      2.75
 25 GLY 
         HN     24 ASP- HN      3.00
         HN     25 GLY  HA2     3.00
         HN     25 GLY  HA1     2.65
         HN     26 THR  HN      3.25
 26 THR 
         HN     16 PHE  HZ      3.95
         HN     16 PHE  CZ      4.60
         HN     25 GLY  HN      2.75
         HN     25 GLY  HA2     3.60
         HN     25 GLY  HA1     3.50
         HN     26 THR  HA      3.10
         HN     27 ILE  HN      4.40
 27 ILE 
         HA     27 ILE  HN      3.50
         HA     27 ILE  HB      3.30
         HA     27 ILE  HG12    3.00
         HA     27 ILE  HG13    3.10
         HA     27 ILE  QG2     3.30
         HA     27 ILE  QD1     5.50
         HA     28 THR  HN      2.50
         HA     31 GLU- HB2     3.50
         HA     31 GLU- HB3     3.50
         HG12   20 ASP- HB2     5.00
         HG12   27 ILE  HG13    2.30
 58 ASP-
         HN     58 ASP- HA      3.10
         HN     59 GLY  HN      2.85
 59 GLY 
         HN     58 ASP- HN      3.40
         HN     58 ASP- HA      4.05
         HN     59 GLY  HA1     3.15
         HN     59 GLY  HA2     3.20
         HN     60 ASN  HN      4.00
 60 ASN 
         HN     58 ASP- HA      4.60
         HN     59 GLY  HN      3.00
         HN     59 GLY  HA1     3.20
         HN     59 GLY  HA2     3.60
         HN     60 ASN  HA      3.10
         HN     61 GLY  HN      3.00
 61 GLY 
         HN     59 GLY  HA1     3.15
         HN     60 ASN  HN      4.00
         HN     60 ASN  HA      3.80
         HN     61 GLY  HA1     3.05
 64 ASP-
         HN     16 PHE  CZ      4.90
         HN     26 THR  HA      4.75
         HN     56 ASP- HA      5.10
         HN     63 ILE  HN      4.55
         HN     63 ILE  HB      4.70
         HN     63 ILE  HG12    5.30
         HN     63 ILE  HG13    5.30
         HN     63 ILE  QG2     3.90
         HN     63 ILE  QD1     6.00
         HN     64 ASP- HA      3.00
         HN     64 ASP- HB2     3.45
         HN     64 ASP- HB3     3.70
         HN     65 PHE  HN      4.50
         HN     67 GLU- HN      3.40
         HN     67 GLU- HB2     2.90
         HN     67 GLU- HB3     4.10
         HN     68 PHE  HN      4.00
         HA     16 PHE  HZ      2.35
         HA     16 PHE  CZ      3.20
         HA     26 THR  HA      2.40
         HA     27 ILE  HG13    4.50
         HA     63 ILE  QG2     4.80
         HA     64 ASP- HB2     2.60
         HA     64 ASP- HB3     3.00


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