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
1047 1a1t cing 1-original 5 DYANA/DIANA distance NOE simple


#-----------------------------------------------------------------
#               NH(i)-NH(i+1)
#-----------------------------------------------------------------              
 16 PHE  HN     17 ASN  HN      2.70  1.00E+00
 17 ASN  HN     18 CYS- HN      2.70  1.00E+00
 18 CYS- HN     19 GLY  HN      2.70  1.00E+00
 19 GLY  HN     20 LYS  HN      2.70  1.00E+00
 22 GLY  HN     23 HIS  HN      2.70  1.00E+00
 25 ALA  HN     26 LYS  HN      3.30  1.00E+00
 26 LYS  HN     27 ASN  HN      2.70  1.00E+00
 27 ASN  HN     28 CYSZ HN      2.70  1.00E+00
 29 ARG  HN     30 ALA  HN      2.70  1.00E+00

#-----------------------------------------------------------------
#         aH(i)-NH(i+1) and -Hd2,3(pro i+1)
#-----------------------------------------------------------------
 13 VAL  HN     12 THR  HA      2.70  1.00E+00
 14 LYS  HN     13 VAL  HA      2.70  1.00E+00 
 15 CYS- HN     14 LYS  HA      2.70  1.00E+00
 16 PHE  HN     15 CYS- HA      2.70  1.00E+00
 19 GLY  HN     19 GLY  HA1     2.70  1.00E+00
 21 GLU  HN     20 LYS  HA      2.70  1.00E+00
 22 GLY  HN     21 GLU  HA      2.70  1.00E+00
 24 ILE  HN     23 HIS  HA      2.70  1.00E+00
 25 ALA  HN     24 ILE  HA      2.70  1.00E+00
 29 ARG  HN     28 CYSZ HA      2.70  1.00E+00
 30 ALA  HA     31 PRO  HD2     2.70  1.00E+00
 30 ALA  HA     31 PRO  HD3     2.70  1.00E+00

#-----------------------------------------------------------------
#                       Other NOEs
#-----------------------------------------------------------------
# VAL 13
 13 VAL  HB     14 LYS  HN      3.30  1.00E+00
 14 LYS  HN     13 VAL  HB      2.70  1.00E+00
 13 VAL  HB     24 ILE  QG2     3.80  1.00E+00
 13 VAL  QG2    22 GLY  HA1     5.00  1.00E+00
 13 VAL  QG2    22 GLY  HN      5.50  1.00E+00
 13 VAL  QG2    23 HIS  HN      5.50  1.00E+00
 13 VAL  HN     22 GLY  HN      5.00  1.00E+00

# LYS 14
 14 LYS  HA     21 GLU  HA      2.70  1.00E+00
 14 LYS  HA     22 GLY  HN      5.00  1.00E+00

# CYS 15
 15 CYS- HA     15 CYS- HB2     2.70  1.00E+00
 15 CYS- HN     15 CYS- HB3     2.70  1.00E+00
 15 CYS- HN     15 CYS- HB2     2.70  1.00E+00
 15 CYS- HA     24 ILE  HA      3.30  1.00E+00
 15 CYS- HN     21 GLU  HA      3.30  1.00E+00
 15 CYS- HB3    19 GLY  HN      3.30  1.00E+00
 15 CYS- HB3    20 LYS  HN      2.70  1.00E+00
 15 CYS- HB3    18 CYS- HN      3.30  1.00E+00
 15 CYS- HB2    23 HIS  HD2     3.30  1.00E+00
 15 CYS- HA     25 ALA  HN      5.00  1.00E+00

# PHE 16
 16 PHE  HB2    25 ALA  QB      3.80  1.00E+00
 16 PHE  HN     25 ALA  QB      5.50  1.00E+00
 16 PHE  HA     19 GLY  HN      5.00  1.00E+00

# ASN 17 
 17 ASN  HA     17 ASN  HB2     2.70  1.00E+00
 17 ASN  HN     17 ASN  HB3     2.70  1.00E+00
 17 ASN  HN     17 ASN  HB2     2.70  1.00E+00
 17 ASN  HN     25 ALA  QB      3.80  1.00E+00
 17 ASN  HB2    25 ALA  QB      3.20  1.00E+00
 17 ASN  HD21   17 ASN  HB3     2.70  1.00E+00
 17 ASN  HD22   30 ALA  QB      3.20  1.00E+00
 17 ASN  HD21   30 ALA  QB      5.50  1.00E+00
 17 ASN  HD21   28 CYSZ HB3     5.00  1.00E+00
 17 ASN  HD22   33 LYS  HN      3.30  1.00E+00
 17 ASN  HD22   32 ARG  HA      3.30  1.00E+00
 
# CYS 18
 18 CYS- HN     17 ASN  HB3     2.70  1.00E+00
 18 CYS- HN     18 CYS- HB3     3.30  1.00E+00
 18 CYS- HB2    20 LYS  HN      5.00  1.00E+00
 18 CYS- HA     18 CYS- HB2     2.70  1.00E+00
 18 CYS- HA     18 CYS- HB3     2.70  1.00E+00
 18 CYS- HB2    30 ALA  QB      5.50  1.00E+00
 18 CYS- HB3    30 ALA  QB      5.50  1.00E+00
 
# LYS 20
 20 LYS  HN     20 LYS  HB2     2.70  1.00E+00
 20 LYS  HB2    23 HIS  HE1     3.30  1.00E+00
 20 LYS  HB3    23 HIS  HE1     3.30  1.00E+00

# HIS 23
 23 HIS  HD2    23 HIS  HB2     3.30  1.00E+00
 23 HIS  HB2    24 ILE  HN      2.70  1.00E+00
 23 HIS  HD2    25 ALA  HA      5.00  1.00e+00
 23 HIS  HD2    28 CYSZ HA      3.30  1.00E+00
 23 HIS  HD2    28 CYSZ HB2     3.30  1.00E+00
 23 HIS  HD2    28 CYSZ HN      3.30  1.00E+00
 23 HIS  HD2    27 ASN  HN      5.00  1.00E+00
 23 HIS  HD2    27 ASN  HB2     5.00  1.00E+00
 23 HIS  HD2    27 ASN  HB3     5.00  1.00E+00
 23 HIS  HB2    27 ASN  HB3     3.30  1.00E+00

# ILE 24
 24 ILE  HB     24 ILE  QD1     3.20  1.00E+00
 24 ILE  HN     24 ILE  QG2     3.20  1.00E+00
 24 ILE  HN     27 ASN  HB2     5.00  1.00E+00
 24 ILE  HN     27 ASN  HD21    5.00  1.00E+00
 24 ILE  QG1    26 LYS  HN      3.20  1.00E+00
 24 ILE  QD1    26 LYS  HB2     3.30  1.00E+00
 24 ILE  QD1    26 LYS  HG3     3.30  1.00E+00
 24 ILE  QD1    26 LYS  QE      4.60  1.00E+00
 24 ILE  HB     25 ALA  HN      2.70  1.00E+00
 24 ILE  QG1    27 ASN  HD21    3.50  1.00E+00
 24 ILE  QG1    27 ASN  HD22    3.50  1.00E+00

# ALA 25
 25 ALA  HA     28 CYSZ HB2     2.70  1.00E+00
 25 ALA  HA     28 CYSZ HN      3.30  1.00E+00
 25 ALA  QB     26 LYS  HN      3.80  1.00E+00

# LYS 26
 26 LYS  HB2    27 ASN  HN      3.30  1.00E+00
 26 LYS  HB2    26 LYS  HN      3.30  1.00E+00
 26 LYS  HB3    26 LYS  HA      2.70  1.00E+00

# ASN 27
 27 ASN  HN     27 ASN  HB2     2.70  1.00E+00

# CYSZ 28 (upfied hb is hb3)
 28 CYSZ HN     28 CYSZ HB2     2.70  1.00E+00
 28 CYSZ HN     28 CYSZ HB3     2.70  1.00E+00
 28 CYSZ HA     28 CYSZ HB2     2.70  1.00E+00

# PRO 31
 31 PRO  HA     32 ARG  HN      2.70  1.00E+00



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Contact the webmaster for help, if required. Tuesday, October 23, 2018 9:37:15 AM CDT (wattos1)