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
6309 1isk cing 1-original 4 DYANA/DIANA distance NOE simple


# HN(i)-HN(i+1)
 23 LEU  HN     24 ASP  HN      2.90  1.00e+00 # HN(i)-HN(i+1)
323 LEU  HN    324 ASP  HN      2.90  1.00e+00
 24 ASP  HN     25 GLY  HN      2.90  1.00e+00 # HN(i)-HN(i+1)
324 ASP  HN    325 GLY  HN      2.90  1.00e+00
 25 GLY  HN     26 ILE  HN      2.90  1.00e+00 # HN(i)-HN(i+1)
325 GLY  HN    326 ILE  HN      2.90  1.00e+00
 26 ILE  HN     27 VAL  HN      2.90  1.00e+00 # HN(i)-HN(i+1)
326 ILE  HN    327 VAL  HN      2.90  1.00e+00
 27 VAL  HN     28 ALA  HN      2.90  1.00e+00 # HN(i)-HN(i+1)
327 VAL  HN    328 ALA  HN      2.90  1.00e+00
 28 ALA  HN     29 LEU  HN      2.90  1.00e+00 # HN(i)-HN(i+1)
328 ALA  HN    329 LEU  HN      2.90  1.00e+00
 29 LEU  HN     30 PHE  HN      2.90  1.00e+00 # HN(i)-HN(i+1)
329 LEU  HN    330 PHE  HN      2.90  1.00e+00

# HN(i)-HN(i+2)
 23 LEU  HN     25 GLY  HN      5.00  1.00e+00 # HN(i)-HN(i+2)
323 LEU  HN    325 GLY  HN      5.00  1.00e+00
 24 ASP  HN     26 ILE  HN      5.00  1.00e+00 # HN(i)-HN(i+2)
324 ASP  HN    326 ILE  HN      5.00  1.00e+00
 25 GLY  HN     27 VAL  HN      5.00  1.00e+00 # HN(i)-HN(i+2)
325 GLY  HN    327 VAL  HN      5.00  1.00e+00
 26 ILE  HN     28 ALA  HN      5.00  1.00e+00 # HN(i)-HN(i+2)
326 ILE  HN    328 ALA  HN      5.00  1.00e+00
 27 VAL  HN     29 LEU  HN      5.00  1.00e+00 # HN(i)-HN(i+2)
327 VAL  HN    329 LEU  HN      5.00  1.00e+00
 28 ALA  HN     30 PHE  HN      5.00  1.00e+00 # HN(i)-HN(i+2)
328 ALA  HN    330 PHE  HN      5.00  1.00e+00

# HA(i)-HN(i+3)
 23 LEU  HA     26 ILE  HN      5.00  1.00e+00 # aH(i)-HN(i+3)
323 LEU  HA    326 ILE  HN      5.00  1.00e+00
 24 ASP  HA     27 VAL  HN      5.00  1.00e+00 # aH(i)-HN(i+3)
324 ASP  HA    327 VAL  HN      5.00  1.00e+00
 25 GLY  HA1    28 ALA  HN      5.00  1.00e+00 # aH(i)-HN(i+3)
325 GLY  HA1   328 ALA  HN      5.00  1.00e+00
 26 ILE  HA     29 VAL  HN      5.00  1.00e+00 # aH(i)-HN(i+3)
326 ILE  HA    329 VAL  HN      5.00  1.00e+00
 27 VAL  HA     30 PHE  HN      5.00  1.00e+00 # aH(i)-HN(i+3)
327 VAL  HA    330 PHE  HN      5.00  1.00e+00

# HA(i)-HN(i+4)
 23 LEU  HA     27 VAL  HN      5.00  1.00e+00 # aH(i)-HN(i+4)
323 LEU  HA    327 VAL  HN      5.00  1.00e+00
 24 ASP  HA     28 ALA  HN      5.00  1.00e+00 # aH(i)-HN(i+4)
324 ASP  HA    328 ALA  HN      5.00  1.00e+00
 25 GLY  HA1    29 LEU  HN      5.00  1.00e+00 # aH(i)-HN(i+4)
325 GLY  HA1   329 LEU  HN      5.00  1.00e+00

# HA(i)-HB(i+3)
 23 LEU  HA     26 ILE  HB      5.00  1.00e+00 # aH(i)-bH(i+3)
323 LEU  HA    326 ILE  HB      5.00  1.00e+00
 24 ASP  HA     27 VAL  HB      3.30  1.00e+00 # aH(i)-bH(i+3)
324 ASP  HA    327 VAL  HB      3.30  1.00e+00
 25 GLY  HA1    28 ALA  QB      3.30  1.00e+00 # aH(i)-bH(i+3)
325 GLY  HA1   328 ALA  QB      3.30  1.00e+00
 
# OTHER NOEs

# ALA-20
 20 ALA  QB     22 ASP  HN      5.00  1.00e+00 #
320 ALA  QB    322 ASP  HN      5.00  1.00e+00

# GLY-21
 21 GLY  HA1    59 LEU  QD2     5.50  1.00e+00 #
321 GLY  HA1   359 LEU  QD2     5.50  1.00e+00
 21 GLY  HN     22 ASP  HN      2.70  1.00e+00 #
321 GLY  HN    322 ASP  HN      2.70  1.00e+00
 21 GLY  HN     59 LEU  QD2     3.80  1.00e+00 #
321 GLY  HN    359 LEU  QD2     3.80  1.00e+00

# ASP-22
 22 ASP  HN     59 LEU  QD2     5.50  1.00e+00 #
322 ASP  HN    359 LEU  QD2     5.50  1.00e+00

# LEU-23
 23 LEU  HN     22 ASP  HA      2.70  1.00e+00 #
323 LEU  HN    322 ASP  HA      2.70  1.00e+00
 23 LEU  HN     59 LEU  QD1     5.50  1.00e+00 #
323 LEU  HN    359 LEU  QD1     5.50  1.00e+00
 23 LEU  HA     23 LEU  QD2     3.20  1.00e+00 #
323 LEU  HA    323 LEU  QD2     3.20  1.00e+00
 23 LEU  HA     59 LEU  QD1     5.50  1.00e+00 #
323 LEU  HA    359 LEU  QD1     5.50  1.00e+00
 23 LEU  HA     26 ILE  QD1     5.50  1.00e+00 #
323 LEU  HA    326 ILE  QD1     5.50  1.00e+00
 23 LEU  QD1    56 ALA  HA      3.80  1.00e+00 #
323 LEU  QD1   356 ALA  HA      3.80  1.00e+00
 23 LEU  QD2    56 ALA  HN      3.80  1.00e+00 #
323 LEU  QD2   356 ALA  HN      3.80  1.00e+00
 23 LEU  QD2    52 ARG  HA      5.50  1.00e+00 #
323 LEU  QD2   352 ARG  HA      5.50  1.00e+00
 23 LEU  QD1    56 ALA  QB      3.70  1.00e+00 #
323 LEU  QD1   356 ALA  QB      3.70  1.00e+00
 23 LEU  QD2    56 ALA  QB      4.30  1.00e+00 #
323 LEU  QD2   356 ALA  QB      4.30  1.00e+00
 23 LEU  QD2    55 TYR  QB      4.60  1.00e+00 #
323 LEU  QD2   355 TYR  QB      4.60  1.00e+00
 23 LEU  QD2    27 VAL  QG2     6.00  1.00e+00 #
323 LEU  QD2   327 VAL  QG2     6.00  1.00e+00

# ASP-24
 24 ASP  QB     25 ASP  HN      3.50  1.00e+00 #
324 ASP  QB    325 ASP  HN      3.50  1.00e+00

# ASP-25

# ILE-26
 26 ILE  QD1    59 LEU  QD2     6.00  1.00e+00 # 
326 ILE  QD1   359 LEU  QD2     6.00  1.00e+00
 26 ILE  QD1    59 LEU  QD1     4.30  1.00e+00 #
326 ILE  QD1   359 LEU  QD1     4.30  1.00e+00
 26 ILE  QG2    55 TYR  QR      7.80  1.00e+00 # 
326 ILE  QG2   355 TYR  QR      7.80  1.00e+00
 26 ILE  QG2    14 TYR  HD2     3.80  1.00e+00 #
326 ILE  QG2   314 TYR  HD2     3.80  1.00e+00
 26 ILE  QG2    14 TYR  HE2     3.80  1.00e+00 #
326 ILE  QG2   314 TYR  HE2     3.80  1.00e+00
 26 ILE  QG2    30 PHE  HE1     3.80  1.00e+00 #
326 ILE  QG2   330 PHE  HE1     3.80  1.00e+00
 26 ILE  QG2    27 VAL  QG2     6.00  1.00e+00 #
326 ILE  QG2   327 VAL  QG2     6.00  1.00e+00
 26 ILE  HA     29 LEU  QD1     3.80  1.00e+00 #
326 ILE  HA    329 LEU  QD1     3.80  1.00e+00

# VAL-27
# 27 HA overlaps with 25 GLY HA
 27 VAL  HA     30 PHE  QR      5.00  1.00e+00 # C-CAP
327 VAL  HA    330 PHE  QR      5.00  1.00e+00
 27 VAL  QG1    48 THR  HB      5.50  1.00e+00 #
327 VAL  QG1   348 THR  HB      5.50  1.00e+00
 27 VAL  QG1    48 THR  HA      5.50  1.00e+00 #
327 VAL  QG1   348 THR  HA      5.50  1.00e+00
 27 VAL  QG1    51 ILE  QG2     6.00  1.00e+00 #
327 VAL  QG1   351 ILE  QG2     6.00  1.00e+00
 27 VAL  QG2    51 ILE  QG2     4.30  1.00e+00 #
327 VAL  QG2   351 ILE  QG2     4.30  1.00e+00
 27 VAL  QG2    52 ARG  HA      3.80  1.00e+00 #
327 VAL  QG2   352 ARG  HA      3.80  1.00e+00
 27 VAL  QG1    30 PHE  QR      7.80  1.00e+00 #
327 VAL  QG1   330 PHE  QR      7.80  1.00e+00
 27 VAL  QG1    28 ALA  HA      5.50  1.00e+00 #
327 VAL  QG1   328 ALA  HA      5.50  1.00e+00
 27 VAL  HA     51 ILE  QG2     5.50  1.00e+00 #
327 VAL  HA    351 ILE  QG2     5.50  1.00e+00
 27 VAL  QG1    52 ARG  QB      6.30  1.00e+00 #
327 VAL  QG1   352 ARG  QB      6.30  1.00e+00

# ALA-28
 28 ALA  HA     30 PHE  HN      5.00  1.00e+00 # C-CAP
328 ALA  HA    330 PHE  HN      5.00  1.00e+00

# LEU-29

# PHE-30
 30 PHE  HD1   109 VAL  HB      5.00  1.00e+00 
330 PHE  HD1   409 VAL  HB      5.00  1.00e+00
 30 PHE  QB    109 VAL  HB      5.80  1.00e+00 
330 PHE  QB    409 VAL  HB      5.80  1.00e+00
 30 PHE  QB    109 VAL  HN      5.80  1.00e+00
330 PHE  QB    409 VAL  HN      5.80  1.00e+00
 30 PHE  HA     30 PHE  HB2     2.70  1.00e+00 
330 PHE  HA    330 PHE  HB2     2.70  1.00e+00
 30 PHE  HA     30 PHE  HB3     2.70  1.00e+00
330 PHE  HA    330 PHE  HB3     2.70  1.00e+00
 30 PHE  HD2    51 ILE  QG2     5.50  1.00e+00 
330 PHE  HD2   351 ILE  QG2     5.50  1.00e+00
 30 PHE  HE2    51 ILE  QG2     5.50  1.00e+00
330 PHE  HE2   351 ILE  QG2     5.50  1.00e+00
 30 PHE  QR     36 VAL  QG2     6.10  1.00e+00 
330 PHE  QR    336 VAL  QG2     6.10  1.00e+00
 30 PHE  HD2    34 ALA  QB      3.30  1.00e+00 
330 PHE  HD2   334 ALA  QB      3.30  1.00e+00
 30 PHE  HA    109 VAL  QG2     5.50  1.00e+00  
330 PHE  HA    409 VAL  QG2     5.50  1.00e+00
 30 PHE  HA    109 VAL  HB      3.30  1.00e+00 
330 PHE  HA    409 VAL  HB      3.30  1.00e+00
 30 PHE  HA     31 ALA  HN      2.70  1.00e+00 
330 PHE  HA    331 ALA  HN      2.70  1.00e+00



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