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
17029 2b68 6849 cing 1-original 1 DYANA/DIANA distance NOE simple



#Crassostrea Gigas defensin upper distance constraints

# Amide-amide distance constraints
  2 PHE  HN      3 GLY  HN      2.8
  3 GLY  HN      4 CYSS HN      2.5
  6 GLY  HN      7 ASN  HN      2.5
  8 GLN  HN      9 LEU  HN      2.5
  8 GLN  HN     10 LYS  HN      5.0
  9 LEU  HN     10 LYS  HN      2.5
 10 LYS  HN     11 CYSS HN      2.8
 11 CYSS HN     12 ASN  HN      2.8
 12 ASN  HN     13 ASN  HN      2.8
 13 ASN  HN     14 HIS  HN      2.8
 15 CYSS HN     16 LYS  HN      2.8
 15 CYSS HN     17 SER  HN      5.0
 16 LYS  HN     17 SER  HN      2.8
 17 SER  HN     18 ILE  HN      2.5
 19 SER  HN     20 CYSS HN      3.0
 21 ARG  HN     22 ALA  HN      3.0
 22 ALA  HN     23 GLY  HN      5.0
 24 TYR  HN     25 CYSS HN      5.0
 24 TYR  HN     35 THR  HN      3.0  
 25 CYSS HN     26 ASP  HN      5.0
 27 ALA  HN     28 ALA  HN      3.0 
 28 ALA  HN     29 THR  HN      2.5
 29 THR  HN     30 LEU  HN      2.5
 30 LEU  HN     31 TRP  HN      2.8
 32 LEU  HN     33 ARG  HN      2.5
 33 ARG  HN     34 CYSS HN      5.0
 34 CYSS HN     35 THR  HN      3.5 
 35 THR  HN     26 ASP  HN      5.0 
 36 CYSS HN     37 THR  HN      4.5 
 37 THR  HN     22 ALA  HN      3.5  
 37 THR  HN     21 ARG  HN      5.0  

# other distance constraints

  2 PHE  HN      2 PHE  HA      2.8
  2 PHE  HN      1 GLY  QA      3.0
  2 PHE  HN      2 PHE  QB      4.0
  2 PHE  CG      2 PHE  HA      4.0
  2 PHE  CG     14 HIS  QB      6.0
  2 PHE  CG     34 CYSS QB      6.0
  3 GLY  HN      3 GLY  QA      3.5
  3 GLY  HN      2 PHE  HA      3.5 
  3 GLY  HN      1 GLY  QA      5.0
  3 GLY  HN     10 LYS  QB      6.0
  3 GLY  HN     10 LYS  QD      5.0
  3 GLY HA1     10 LYS  QB      4.0
  3 GLY HA2     10 LYS  QB      4.0
  3 GLY  QA     10 LYS  QD      6.0
  4 CYSS HN      5 PRO  HA      5.0
  4 CYSS HN      4 CYSS HA      3.0
  4 CYSS HN      2 PHE  HA      5.0
  4 CYSS HN      4 CYSS QB      4.0
  4 CYSS HN      3 GLY  QA      5.0
  4 CYSS HN     34 CYSS QB      5.0
  4 CYSS HN     11 CYSS QB      6.0
  5 PRO  HA      4 CYSS HA      3.0
  5 PRO  HA      4 CYSS QB      6.0
  5 PRO  HA     32 LEU  HA      5.0
  5 PRO  HA     31 TRP  QB      4.0
  5 PRO  QB     32 LEU QQD      6.0
  5 PRO  QG     32 LEU QQD      7.0
  5 PRO HD2     32 LEU QQD      5.0
  5 PRO HD3     32 LEU QQD      5.0
  6 GLY  HN      5 PRO  HA      3.0
  6 GLY  HN      6 GLY HA1      3.0 
  6 GLY  HN      6 GLY HA2      3.0
  6 GLY  HN      5 PRO  QD      6.0
  6 GLY  HN      5 PRO  QB      4.0
  6 GLY  HN      5 PRO  QG      5.0
  7 ASN  HN      7 ASN  HA      3.0
  7 ASN  HN      6  GLY QA      4.0
  7 ASN  HN      7 ASN  QB      4.0
  7 ASN  HA      7 ASN  QB      4.0
  7 ASN  HA      8 GLN  QB      6.0
  7 ASN  QB     10 LYS  QB      5.0
  7 ASN HD21     7 ASN  QB      4.0
  7 ASN HD21    10 LYS  QB      5.0
  7 ASN HD21    10 LYS  QD      6.0
  7 ASN HD22     7 ASN  QB      5.0
  7 ASN HD22    10 LYS  QB      4.0
  7 ASN HD22    10 LYS  QD      5.0
  8 GLN  HN      7 ASN  HA      2.5
  8 GLN  HN      8 GLN  QG      6.0
  8 GLN  HN      8 GLN  QB      4.0
  8 GLN  HA     11 CYSS QB      4.0
  8 GLN  HA      8 GLN  QB      4.0
  8 GLN  HA      8 GLN  QG      4.0
  8 GLN HE21     8 GLN  QB      4.0
  8 GLN HE21     8 GLN  QG      6.0
  9 LEU  HN      7 ASN  HA      3.5
  9 LEU  HN      9 LEU  HA      3.0
  9 LEU  HN      8 GLN  HA      3.5
  9 LEU  HN      8 GLN  QG      6.0
  9 LEU  HN      8 GLN  QB      4.0
  9 LEU  HN      9 LEU  QB      4.0
  9 LEU  HN      9 LEU  HG      3.0
  9 LEU  HN      9 LEU QQD      7.0
  9 LEU  HA     12 ASN  QB      4.0
  9 LEU  HA      9 LEU  QB      4.0
  9 LEU  HA      9 LEU QQD      5.0
 10 LYS  HN     11 CYSS HA      5.0
 10 LYS  HN      3 GLY  QA      6.0
 10 LYS  HN      9 LEU  HA      3.5
 10 LYS  HN     10 LYS  HA      3.0
 10 LYS  HN      7 ASN  QB      6.0
 10 LYS  HN     10 LYS  QB      4.0
 10 LYS  HN      9 LEU QQD      7.0
 10 LYS  HA     13 ASN  QB      4.0
 11 CYSS HN     11 CYSS HA      3.0
 11 CYSS HN      3 GLY  QA      6.0 
 11 CYSS HN      9 LEU  HA      5.0
 11 CYSS HN     10 LYS  HA      3.5
 11 CYSS HN      8 GLN  HA      4.0
 11 CYSS HN     11 CYSS QB      4.0
 11 CYSS HN     10 LYS  QB      4.0
 11 CYSS HA     11 CYSS QB      3.6
 11 CYSS HA     14 HIS  QB      4.0
 11 CYSS HA      2 PHE  QB      4.0
 12 ASN  HN     23 GLY  QA      6.0
 12 ASN  HN     11 CYSS HA      3.5
 12 ASN  HN     22 ALA  HA      5.0
 12 ASN  HN      9 LEU  HA      3.0
 12 ASN  HN     12 ASN  HA      3.0
 12 ASN  HN     11 CYSS QB      4.0
 12 ASN  HN     11 CYSS QB      4.0
 12 ASN  HN     12 ASN  QB      4.0
 12 ASN  HN      9 LEU  QB      6.0
 12 ASN  HD22   22 ALA  QB      6.0
 13 ASN  HN     13 ASN  HA      3.0
 13 ASN  HN      9  LEU HA      4.0
 13 ASN  HN     12 ASN  QB      4.0
 13 ASN  HN     13 ASN  QB      4.0
 13 ASN  HN      9 LEU  QB      6.0
 13 ASN  HA     13 ASN  QB      4.0
 13 ASN  HA     16 LYS  QB      4.0
 13 ASN  HA     16 LYS  QD      5.0
 13 ASN HD21    13 ASN  QB      4.0
 13 ASN HD21     9 LEU  HG      5.0
 13 ASN HD21     9 LEU QQD      7.0
 13 ASN HD22    13 ASN  QB      5.0
 13 ASN HD22     9 LEU  HG      3.0
 13 ASN HD22     9 LEU QQD      6.0
 14 HIS  HN     11 CYSS HA      3.5
 14 HIS  HN     14 HIS  HA      3.0
 14 HIS  HN     10 LYS  HA      4.0
 14 HIS  HN     13 ASN  HA      3.5
 14 HIS  HN     14 HIS  QB      4.0
 14 HIS  HN     13 ASN  QB      4.0
 14 HIS  HE1     2 PHE  CZ      5.0
 14 HIS  HE1    18 ILE QG2      5.0
 14 HIS  HD2    15 CYSS HN      4.0
 14 HIS  HD2    11 CYSS HA      5.0
 14 HIS  HD2    14 HIS  QB      4.0
 14 HIS  HD2    15 CYSS HA      5.0
 14 HIS  HD2     2 PHE  QB      5.0
 14 HIS  HD2    18 ILE QG1      6.0 
 14 HIS  HD2    18 ILE QD1      6.0 
 14 HIS  HA     17 SER  QB      4.0
 14 HIS  HA     14 HIS  QB      4.0
 14 HIS  HA     18 ILE QG2      6.0
 15 CYSS HN     11 CYSS HA      4.0
 15 CYSS HN     14 HIS  HA      3.5
 15 CYSS HN     14 HIS  QB      4.0
 15 CYSS HN     15 CYSS QB      4.0
 15 CYSS HN     12 ASN  HA      4.0
 15 CYSS HA     15 CYSS QB      4.0
 15 CYSS HA     18 ILE QG1      4.0
 15 CYSS HA     18 ILE QG2      4.0
 15 CYSS HA     18 ILE QD1      4.0
 16 LYS  HN     16 LYS  HA      3.0
 16 LYS  HN     13 ASN  HA      3.5
 16 LYS  HN     15 CYSS HA      3.5
 16 LYS  HN     15 CYSS QB      4.0
 16 LYS  HN     16 LYS  QB      4.0
 16 LYS  HN     16 LYS  QD      4.0
 17 SER  HN     16 LYS  HA      3.5
 17 SER  HN     17 SER  QB      4.0
 17 SER  HN     16 LYS  QG      4.0
 18 ILE  HN     18 ILE  HA      3.5
 18 ILE  HN     17 SER  HA      3.5 
 18 ILE  HN     17 SER  QB      4.0
 18 ILE  HN     18 ILE  HB      4.0
 18 ILE  HN     18 ILE QG1      4.0 
 18 ILE  HN     18 ILE QD1      4.0
 18 ILE  HN     18 ILE QG2      4.0 
 18 ILE  HA     19 SER  HA      5.0
 18 ILE  HA     18 ILE  HB      3.0
 18 ILE  HA     18 ILE QG2      4.0
 19 SER  HN     18 ILE  HA      3.5 
 19 SER  HN     19 SER  HA      2.5
 19 SER  HN     16 LYS  HA      5.0
 19 SER  HN     18 ILE QG2      6.0
 19 SER  HN     18 ILE QG1      5.0
 19 SER  HN     18 ILE QD1      6.0
 20 CYSS HN     20 CYSS HA      3.0
 20 CYSS HN     16 LYS  HA      4.0
 20 CYSS HN     39 CYSS HA      5.0 
 20 CYSS HN     19 SER  HA      3.0
 20 CYSS HN     20 CYSS QB      4.0
 20 CYSS HA     39 CYSS HA      3.0
 20 CYSS HA     20 CYSS QB      3.6
 20 CYSS HB2    15 CYSS QB      4.0
 20 CYSS HB3    15 CYSS QB      4.0
 21 ARG  HN     20 CYSS QB      4.0
 21 ARG  HN     38 ASP  QB      5.0
 22 ALA  HN     23 GLY  QA      6.0
 22 ALA  HN     22 ALA  HA      3.0
 22 ALA  HN     21 ARG  HA      3.5
 22 ALA  HN     20 CYSS QB      4.0
 22 ALA  HN     15 CYSS QB      6.0
 22 ALA  HN     21 ARG  QB      4.0
 22 ALA  HN     22 ALA  QB      4.0
 23 GLY  HN     36 CYSS HA      4.0
 23 GLY  HN     22 ALA  HA      2.5
 23 GLY  HN     12 ASN  QB      4.0
 23 GLY  HN     15 CYSS QB      4.0
 23 GLY  HN     22 ALA  QB      4.0
 23 GLY  QA     36 CYSS QB      5.0
 23 GLY  QA     15 CYSS QB      5.0
 23 GLY  QA     22 ALA  QB      6.0
 23 GLY  QA     37 THR QG2      5.0
 24 TYR  HN     23 GLY  QA      3.0
 24 TYR  CG     23 GLY  QA      6.0
 24 TYR  CG     26 ASP  HA      5.0
 24 TYR  CG     37 THR CG2      5.0
 24 TYR  CG     35 THR CG2      6.0
 24 TYR  CZ     26 ASP  HA      5.0
 24 TYR  CZ     37 THR  HB      6.0
 24 TYR  CZ     35 THR  HB      6.0
 24 TYR  CZ     37 THR CG2      4.0
 24 TYR  CZ     35 THR CG2      5.0
 24 TYR  CG     27 ALA  HN      5.0
 24 TYR  CG     25 CYSS HN      5.0
 24 TYR  CG     24 TYR  HN      4.0
 24 TYR  CZ     27 ALA  HN      5.0
 24 TYR  CZ     24 TYR  HN      6.0
 25 CYSS HN     25 CYSS HA      3.0
 25 CYSS HN     24 TYR  HA      3.5
 25 CYSS HN     24 TYR  QB      4.0
 25 CYSS HN      8 GLN  QB      5.0
 25 CYSS HN      8 GLN HG2      4.0
 25 CYSS HN      8 GLN HG3      4.0
 25 CYSS HA     34 CYSS HA      3.0
 25 CYSS HA      4 CYSS QB      6.0
 25 CYSS HA     25 CYSS QB      4.0
 25 CYSS HA     34 CYSS QB      6.0
 26 ASP  HN     25 CYSS HA      2.5
 26 ASP  HN     26 ASP  HA      3.0
 26 ASP  HN     25 CYSS QB      5.0
 26 ASP  HN     26 ASP  QB      4.0
 26 ASP  HN     35 THR QG2      6.0
 26 ASP  HA     26 ASP  QB      4.0
 26 ASP HB2     29 THR QG2      4.0
 26 ASP HB3     29 THR QG2      4.0
 26 ASP HB2     33 ARG  QB      4.0
 26 ASP HB3     33 ARG  QB      4.0
 27 ALA  HN     26 ASP  HA      2.5
 27 ALA  HN     27 ALA  HA      3.0
 27 ALA  HN     27 ALA  QB      3.5
 28 ALA  HN     28 ALA  HA      3.0
 28 ALA  HN     27 ALA  HA      3.5
 28 ALA  HN     28 ALA  QB      3.5
 28 ALA  HN     27 ALA  QB      4.0
 29 THR  HN     29 THR  HA      3.0
 29 THR  HN     28 ALA  HA      3.5
 29 THR  HN     30 LEU  HA      4.5
 29 THR  HN     26 ASP  QB      6.0
 29 THR  HN     28 ALA  QB      4.0 
 29 THR  HN     29 THR QG2      4.0
 29 THR  HB     29 THR QG2      5.0
 30 LEU  HN     29 THR  HA      3.0
 30 LEU  HN     30 LEU  HA      3.0
 30 LEU  HN     30 LEU HB2      4.0
 30 LEU  HN     30 LEU HB3      4.0
 30 LEU  HN     30 LEU  HG      4.0
 30 LEU  HN     29 THR QG2      6.0
 30 LEU  HN     30 LEU QD2      4.0
 30 LEU  HA     30 LEU  HG      4.0
 30 LEU  HA     30 LEU  QB      4.0
 30 LEU  HA     30 LEU QQD      5.0
 31 TRP  HN     31 TRP  QB      4.0
 31 TRP  HN     30 LEU  HA      3.0
 31 TRP  HN     30 LEU  QB      5.0
 31 TRP  HN     30 LEU QQD      6.0
 31 TRP  QB      5 PRO  QB      5.0
 31 TRP  HA     29 THR QG2      4.0
 31 TRP HE1     25 CYSS QB      6.0
 31 TRP HE1     27 ALA  HA      4.0
 31 TRP HE1     27 ALA  QB      4.0
 31 TRP HZ2     27 ALA  HA      5.0
 31 TRP HZ2     27 ALA  QB      4.0
 31 TRP HE3     30 LEU  HN      5.0
 31 TRP HE3     30 LEU  HA      4.0
 31 TRP HE3     25 CYSS QB      6.0
 31 TRP HE3     30 LEU  QB      6.0
 31 TRP HE3     30 LEU QQD      7.0
 31 TRP HH2     27 ALA  HA      4.0 
 31 TRP HH2     27 ALA  QB      5.0
 31 TRP HZ3     30 LEU QQD      6.0
 31 TRP HD1     27 ALA  HN      5.0
 31 TRP HD1     25 CYSS HN      5.0
 31 TRP HD1     31 TRP  QB      4.0
 31 TRP HD1     31 TRP  HA      4.0
 31 TRP HD1     25 CYSS QB      4.0
 31 TRP HD1     27 ALA  HA      5.0
 31 TRP HD1     27 ALA  QB      5.0
 32 LEU  HN     29 THR  HB      5.0
 32 LEU  HN     32 LEU  HA      3.0
 32 LEU  HN     31 TRP  HA      4.0
 32 LEU  HN     32 LEU  QB      4.0
 32 LEU  HN     32 LEU  HG      4.0
 32 LEU  HN     32 LEU QQD      6.0
 32 LEU  HA      5 PRO  QG      6.0
 32 LEU  HA      5 PRO  QD      4.0
 32 LEU  HA      5 PRO  QD      5.0
 32 LEU  HA     32 LEU  QB      4.0
 32 LEU  HA     32 LEU  HG      4.0
 32 LEU  HA     32 LEU QQD      5.0
 32 LEU HB2     29 THR QG2      4.0
 32 LEU HB3     29 THR QG2      4.0
 32 LEU  HG     29 THR QG2      4.0
 33 ARG  HN     29 THR  HB      4.5  
 33 ARG  HN     33 ARG  HA      3.5 
 33 ARG  HN     32 LEU  HA      3.5 
 33 ARG  HN     26 ASP  QB      6.0
 33 ARG  HN     33 ARG  QD      6.0
 33 ARG  HN     33 ARG  QB      4.0
 33 ARG  HN     33 ARG  QG      5.0
 33 ARG  HN     32 LEU  QB      4.0
 34 CYSS HN     34 CYSS HA      3.0
 34 CYSS HN     33 ARG  HA      2.5
 34 CYSS HN     33 ARG  QG      4.0
 34 CYSS HN     33 ARG  QD      6.0
 34 CYSS HA     34 CYSS QB      4.0
 34 CYSS HA     35 THR  HA      5.0
 34 CYSS HA     35 THR QG2      6.0
 35 THR  HN     25 CYSS HA      4.0
 35 THR  HN     34 CYSS HA      2.5
 35 THR  HN     35 THR  HA      3.0
 35 THR  HN     35 THR  HB      2.5
 35 THR  HN     34 CYSS QB      6.0
 35 THR  HN     35 THR QG2      4.0
 35 THR  HA     35 THR QG2      3.6
 36 CYSS HN     36 CYSS HA      3.0 
 36 CYSS HN     35 THR  HA      2.5
 36 CYSS HN     36 CYSS QB      4.0
 36 CYSS HN     35 THR QG2      5.0
 36 CYSS HA     23 GLY HA1      3.0
 36 CYSS HA     37 THR  HA      5.0
 36 CYSS HA     23 GLY HA2      3.0
 36 CYSS HA     15 CYSS QB      4.0
 36 CYSS HA     37 THR QG2      5.0
 36 CYSS HA     35 THR QG2      6.0
 37 THR  HN     36 CYSS HA      2.5
 37 THR  HN     23 GLY  QA      4.0
 37 THR  HN     37 THR  HA      3.0 
 37 THR  HN     37 THR  HB      3.5 
 37 THR  HN     36 CYSS QB      4.0
 37 THR  HN     15 CYSS QB      6.0
 37 THR  HN     22 ALA  QB      6.0
 37 THR  HN     37 THR QG2      4.0
 37 THR  HA     37 THR QG2      4.0
 37 THR  HB     37 THR QG2      3.6
 38 ASP  HN     37 THR  HA      2.5
 38 ASP  HN     37 THR  HB      3.5
 38 ASP  HN     38 ASP  QB      4.0
 38 ASP  HN     37 THR QG2      5.0
 38 ASP  HA     38 ASP  QB      4.0
 38 ASP  HA     21 ARG  QG      5.0
 38 ASP HB2     21 ARG  QB      4.0 
 38 ASP HB3     21 ARG  QB      4.0
 39 CYSS HN     38 ASP  HA      2.5
 39 CYSS HN     38 ASP  QB      4.0
 40 ASN  HN     39 CYSS HA      3.0
 40 ASN  HN     20 CYSS HA      3.0
 40 ASN  HN     39 CYSS QB      4.0
 41 GLY  HN     40 ASN  HA      2.5
 41 GLY  HN     39 CYSS QB      4.0
 42 LYS  HN     41 GLY  QA      4.0
 43 LYS  HN     42 LYS  HA      2.5


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