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
1052 1a1t cing 1-original 10 DYANA/DIANA distance NOE simple


#-----------------------------------------------------------------
#                       HN(i)-HN(i+1)
#-----------------------------------------------------------------              
 37 TRP  HN     38 LYS  HN      3.30  1.00E+00
 38 LYS  HN     39 CYS- HN      2.70  1.00E+00
 39 CYS- HN     40 GLY  HN      2.70  1.00E+00
 40 GLY  HN     41 LYS  HN      2.70  1.00E+00
 43 GLY  HN     44 HIS  HN      2.70  1.00E+00
 46 MET  HN     47 LYS  HN      3.30  1.00E+00
 47 LYS  HN     48 ASP  HN      2.70  1.00E+00
 48 ASP  HN     49 CYSZ HN      2.70  1.00E+00
 50 THR  HN     51 GLU  HN      2.70  1.00E+00
 51 GLU  HN     52 ARG  HN      3.30  1.00E+00

#-----------------------------------------------------------------
#                       aH(i)-NH(i+1)
#-----------------------------------------------------------------
 36 CYS- HN     35 GLY  QA      3.50  1.00E+00
 37 TRP  HN     36 CYS- HA      2.70  1.00E+00
 42 GLU  HN     41 LYS  HA      2.70  1.00E+00
 43 GLY  HN     42 GLU  HA      2.70  1.00E+00
 45 GLN  HN     44 HIS  HA      2.70  1.00E+00
 46 MET  HN     45 GLN  HA      2.70  1.00E+00
 50 THR  HN     49 CYSZ HA      2.70  1.00E+00

#----------------------------------------------------------------
#           OTHER NOEs
#----------------------------------------------------------------
# ARG 32
 32 ARG  HA     33 LYS  HN      2.70  1.00E+00

# LYS 33
 33 LYS  HA     34 LYS  HN      2.70  1.00E+00

# LYS 34
 34 LYS  HA     35 GLY  HN      2.70  1.00E+00
 34 LYS  HN     35 GLY  HN      2.70  1.00E+00

# GLY 35
 35 GLY  HA1    42 GLU  HA      3.30  1.00E+00
 35 GLY  HA2    42 GLU  HA      3.30  1.00E+00
 35 GLY  HA1    43 GLY  HN      5.00  1.00E+00

# CYS 36
 36 CYS- HA     36 CYS- HB2     2.70  1.00E+00
 36 CYS- HA     46 MET  HN      5.00  1.00E+00
 36 CYS- HA     45 GLN  HA      3.30  1.00E+00
 36 CYS- HN     36 CYS- HB3     2.70  1.00E+00
 36 CYS- HN     36 CYS- HB2     2.70  1.00E+00
 36 CYS- HB3    39 CYS- HN      3.30  1.00E+00
 36 CYS- HB3    40 GLY  HN      3.30  1.00E+00
 36 CYS- HN     41 LYS  HN      3.30  1.00E+00
 36 CYS- HB3    41 LYS  HN      2.70  1.00E+00
 36 CYS- HB2    44 HIS  HD2     3.30  1.00E+00
 36 CYS- HN     42 GLU  HA      5.00  1.00E+00

# TRP 37
 37 TRP  HN     46 MET  HN      5.00  1.00E+00
 37 TRP  HA     40 GLY  HN      5.00  1.00E+00

# LYS 38
 38 LYS  HN     38 LYS  HB2     2.70  1.00E+00
 38 LYS  HB3    39 CYS- HN      2.70  1.00E+00
 38 LYS  HN     40 GLY  HN      3.30  1.00E+00

# CYS 39
 39 CYS- HN     39 CYS- HB3     3.30  1.00E+00
 39 CYS- HA     39 CYS- HB2     2.70  1.00E+00
 39 CYS- HA     39 CYS- HB3     2.70  1.00E+00
 39 CYS- HB3    51 GLU  HB2     5.00  1.00E+00
 39 CYS- HB3    51 GLU  HB3     5.00  1.00E+00

# GLY 40
 40 GLY  HN     40 GLY  HA1     2.70  1.00E+00

# LYS 41
 41 LYS  HB2    44 HIS  HE1     3.30  1.00E+00
 41 LYS  HB3    44 HIS  HE1     3.30  1.00E+00
 41 LYS  HN     41 LYS  HB2     2.70  1.00E+00
 41 LYS  HN     44 HIS  HE1     3.30  1.00E+00

# GLU 42
 42 GLU  HN     42 GLU  HB3     2.70  1.00E+00
 42 GLU  HN     42 GLU  HG2     3.30  1.00E+00
 42 GLU  HA     42 GLU  HB2     2.70  1.00E+00
 42 GLU  HA     42 GLU  HB3     2.70  1.00E+00
 
# GLY 43

# HIS 44
 44 HIS  HN     44 HIS  HB3     2.70  1.00E+00
 44 HIS  HB2    45 GLN  HN      2.70  1.00E+00 
 44 HIS  HD2    45 GLN  HN      3.30  1.00E+00
 44 HIS  HD2    48 ASP  HN      5.00  1.00E+00
 44 HIS  HD2    50 THR  HN      3.30  1.00E+00
 44 HIS  HD2    49 CYSZ HA      3.30  1.00E+00
 44 HIS  HD2    44 HIS  HB2     3.30  1.00E+00
 44 HIS  QB     48 ASP  HB2     5.80  1.00E+00
 44 HIS  HE1    50 THR  QG2     5.50  1.00E+00

# GLN 45
 45 GLN  QB     46 MET  HN      3.50  1.00E+00
 45 GLN  HN     48 ASP  HN      3.30  1.00E+00

# MET 46
 46 MET  HA     49 CYSZ HB2     5.00  1.00E+00
 46 MET  HA     49 CYSZ HN      3.30  1.00E+00

# LYS 47
 47 LYS  HB2    47 LYS  HN      2.70  1.00E+00   
 47 LYS  HB3    48 ASP  HN      3.30  1.00E+00

# ASP 48
 48 ASP  HN     48 ASP  HB2     3.30  1.00E+00
 48 ASP  HB3    49 CYSZ HA      5.00  1.00E+00

# CYSZ 49
 49 CYSZ HA     51 GLU  HN      3.30  1.00E+00
 49 CYSZ HN     49 CYSZ HB2     2.70  1.00E+00
 49 CYSZ HN     49 CYSZ HB3     2.70  1.00E+00
 49 CYSZ HA     49 CYSZ HB2     2.70  1.00E+00



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Contact the webmaster for help, if required. Friday, April 20, 2018 1:51:53 AM CDT (wattos1)