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
580701 2mqv 25052 cing 1-original 4 DYANA/DIANA distance NOE simple


#-----------------------------------------------------------------
#  NC Protien NOEs
#-----------------------------------------------------------------

# ARG 18
 18 ARG  QD     21 LEU  QD1     4.6   1.00E+00
 18 ARG  QB     21 LEU  QD1     4.6   1.00E+00

# SER 19
 19 SER  QB     30 LYS  QE      6.3   1.00E+00

# GLN 20
 20 GLN  HA     21 LEU  H      2.70  1.00E+00

# LEU 21
 21 LEU  HA     22 ASP- H      2.70  1.00E+00
 21 LEU  HA     21 LEU  QD2     3.30  1.00E+00
 21 LEU  QD2    22 ASP- H      3.80  1.00E+00  
 21 LEU  QD2    23 ARG  HA      5.50  1.00E+00
 21 LEU  QD2    25 GLN  QB      4.60  1.00E+00
 21 LEU  QD1    27 ALA  QB      5.50  1.00E+00
 21 LEU  QD2    27 ALA  QB      5.50  1.00E+00
 21 LEU  QD2    30 LYS  QE      6.30  1.00E+00

# ASP-22
 22 ASP- HA     23 ARG  H      2.70  1.00E+00
 22 ASP- H     25 GLN  QB      3.50  1.00E+00

# ARG 23
 23 ARG  H     24 ASP- H      2.70  1.00E+00
 23 ARG  HA     25 GLN  H      5.00  1.00E+00
 23 ARG  HA     35 TRP  HE1     5.00  1.00E+00
 23 ARG  HA     35 TRP  HZ2     5.00  1.00E+00
 23 ARG  QG     35 TRP  HZ2     5.80  1.00E+00
 23 ARG  QD     35 TRP  HZ2     5.80  1.00E+00

# ASP-24
 24 ASP- H     25 GLN  H      2.70  1.00E+00
 24 ASP- HA     35 TRP  HE1     5.00  1.00E+00
 24 ASP- HA     35 TRP  HD1     5.00  1.00E+00
 24 ASP- QB     33 GLY  H      5.50  1.00E+00

# GLN 25
 25 GLN  HA     26 CYS- H      2.70  1.00E+00
 25 GLN  HA     32 LYS  HA      5.00  1.00E+00
 25 GLN  HA     33 GLY  H      5.00  1.00E+00
 25 GLN  H     35 TRP  HE1     5.00  1.00E+00

# CYS 26
 27 ALA  H     26 CYS- HA      2.70  1.00E+00
 26 CYS- HA     26 CYS- HB2     2.70  1.00E+00
 26 CYS- H     26 CYS- HB3     2.70  1.00E+00
 26 CYS- HA     28 TYR  H      5.00  1.00E+00
 26 CYS- HA     35 TRP  HA      3.30  1.00E+00
 26 CYS- H     32 LYS  HA      5.00  1.00E+00
 26 CYS- HB3    30 LYS  H      3.30  1.00E+00
 26 CYS- HB3    31 GLU- H      3.30  1.00E+00
 26 CYS- HB3    29 CYS- H      3.30  1.00E+00
 26 CYS- HB2    34 HIS  HD2     3.30  1.00E+00
 26 CYS- HA     36 ALA  H      5.00  1.00E+00

# ALA 27
 27 ALA  H     28 TYR  H      2.90  1.00E+00
 27 ALA  QB     28 TYR  H      5.50  1.00E+00
 27 ALA  QB     36 ALA  QB      4.30  1.00E+00
 27 ALA  H     36 ALA  QB      5.50  1.00E+00
 27 ALA  HA     30 LYS  H      5.00  1.00E+00
 27 ALA  HA     30 LYS  QE      5.80  1.00E+00

# TYR 28
 28 TYR  H     29 CYS- H      2.90  1.00E+00
 28 TYR  H     28 TYR  HB2     2.70  1.00E+00
 28 TYR  H     36 ALA  HA      5.00  1.00E+00
 28 TYR  H     36 ALA  QB      5.50  1.00E+00
 28 TYR  HB2    36 ALA  QB      5.50  1.00E+00
 28 TYR  QD     41 LYS  QB      5.90  1.00E+00
 28 TYR  QE     41 LYS  QD      5.90  1.00E+00
 28 TYR  QE     41 LYS  QE      5.90  1.00E+00
 28 TYR  QE     42 LYS  HA      5.10  1.00E+00
 28 TYR  QE     43 PRO  HD2     5.10  1.00E+00
 28 TYR  QE     43 PRO  HD3     5.10  1.00E+00
 
 28 TYR  HD1    42 LYS  QG      5.80  1.00E+00
 28 TYR  HD1    42 LYS  QE      5.80  1.00E+00
 28 TYR  HE1    42 LYS  QE      5.80  1.00E+00

# CYS 29
 29 CYS- H     30 LYS  H      2.90  1.00E+00
 29 CYS- H     28 TYR  HB3     2.70  1.00E+00
 29 CYS- H     29 CYS- HB3     3.30  1.00E+00
 29 CYS- HB2    31 GLU- H      5.00  1.00E+00
 29 CYS- HA     29 CYS- HB2     2.70  1.00E+00
 29 CYS- HA     29 CYS- HB3     2.70  1.00E+00

 29 CYS- HB2    41 LYS  QD      4.10  1.00E+00
 29 CYS- HB3    41 LYS  QD      4.10  1.00E+00

 
# LYS 30
 30 LYS  H     31 GLU- H      2.90  1.00E+00

# GLU-31
 32 LYS  H     31 GLU- HA      2.70  1.00E+00
 31 GLU- H     31 GLU- HB2     2.70  1.00E+00
 31 GLU- HB2    34 HIS  HE1     2.70  1.00E+00
 31 GLU- HB3    34 HIS  HE1     2.70  1.00E+00

# LYS 32
 33 GLY  H     32 LYS  HA      2.70  1.00E+00

# GLY 33
 33 GLY  H     34 HIS  H      2.90  1.00E+00

# HIS 34
 34 HIS  HA     35 TRP  H      2.70  1.00E+00
 34 HIS  HA     34 HIS  HB2     2.70  1.00E+00
 34 HIS  HA     34 HIS  HB3     2.70  1.00E+00
 34 HIS  HD2    34 HIS  HB2     3.30  1.00E+00
 34 HIS  HB2    35 TRP  H      2.70  1.00E+00
 34 HIS  HD2    36 ALA  HA      5.00  1.00e+00
 34 HIS  HD2    39 CYSZ HA      3.30  1.00E+00
 34 HIS  HD2    39 CYSZ HB2     3.30  1.00E+00
 34 HIS  HD2    39 CYSZ H      5.00  1.00E+00
 34 HIS  HB2    39 CYSZ HA      5.00  1.00E+00
 34 HIS  HB2    38 ASP- HB3     3.30  1.00E+00
 34 HIS  HE1    40 PRO  HD2     3.30  1.00E+00
 34 HIS  HE1    40 PRO  HD3     3.30  1.00E+00

# TRP 35
 35 TRP  H     35 TRP  HD1     3.30  1.00E+00
 35 TRP  HA     35 TRP  HD1     3.30  1.00E+00
 35 TRP  HB2    35 TRP  HD1     3.30  1.00E+00
 35 TRP  HA     36 ALA  H      2.70  1.00E+00
 35 TRP  H     38 ASP- HB2     5.00  1.00E+00
 35 TRP  H     38 ASP- HB3     5.00  1.00E+00
 35 TRP  HE3    37 LYS  QE      5.80  1.00E+00

# ALA 36
 36 ALA  H     37 LYS  H      3.30  1.00E+00
 36 ALA  HA     39 CYSZ HB2     2.70  1.00E+00
 36 ALA  HA     39 CYSZ H      3.30  1.00E+00
 36 ALA  QB     37 LYS  H      3.80  1.00E+00

# LYS 37
 37 LYS  H     38 ASP- H      2.90  1.00E+00
 37 LYS  HB2    37 LYS  H      3.30  1.00E+00
 37 LYS  HB3    37 LYS  HA      2.70  1.00E+00

 37 LYS  HA     42 LYS  QE      5.80  1.00E+00

# ASP-38
 38 ASP- H     39 CYSZ H      2.90  1.00E+00
 38 ASP- H     38 ASP- HB2     2.70  1.00E+00

# CYSZ 39
 40 PRO  HD2    39 CYSZ HA      2.70  1.00E+00
 40 PRO  HD3    39 CYSZ HA      2.70  1.00E+00
 39 CYSZ H     39 CYSZ HB2     2.70  1.00E+00
 39 CYSZ HA     39 CYSZ HB2     2.70  1.00E+00
 39 CYSZ HA     40 PRO  HD2     2.70  1.00E+00
 39 CYSZ HA     40 PRO  HD3     2.70  1.00E+00
 39 CYSZ QB     42 LYS  QG      4.30  1.00E+00

# PRO 40
 40 PRO  HD2    41 LYS  H      2.70  1.00E+00

# LYS 41
 41 LYS  H     42 LYS  H      2.90  1.00E+00

# LYS 42
 42 LYS  HA     43 PRO  HD2     2.70  1.00E+00
 42 LYS  HA     43 PRO  HD3     2.70  1.00E+00

# ARG 44
44 ARG  HA     45 GLY  H      2.70  1.00E+00


# ARG 47
47 ARG  HA     48 GLY H       2.70  1.00E+00

#GLY 48
48 GLY  QA     49 PRO HD2      3.20  1.00E+00
48 GLY  QA     49 PRO HD3      3.20  1.00E+00

# PRO 49
49 PRO  HA     50 ARG H       2.70  1.00E+00

# ARG 50
50 ARG  HA     51 PRO HD2      2.70  1.00E+00
50 ARG  HA     51 PRO HD3      2.70  1.00E+00
####################################################################
####### End NC
####################################################################
####################################################################

#----------------------BEGIN C4'-O4' BOND----------------------------
#### C4' to O4'

# URA 107
 107 URA  H6     107 URA  H2'     4.00  1.00E+00
 107 URA  H6     107 URA  H3'     3.00  1.00E+00
 107 URA  H3'    107 URA  H5"     3.30  1.00E+00
 107 URA  H4'    107 URA  H5'     2.70  1.00E+00
 107 URA  H4'    107 URA  H5"     2.70  1.00E+00


# RCYT 108
 108 RCYT H6     108 RCYT H2'     4.00  1.00E+00
 108 RCYT H6     108 RCYT H3'     3.00  1.00E+00
 108 RCYT H3'    108 RCYT H5"     3.30  1.00E+00
 108 RCYT H4'    108 RCYT H5'     2.70  1.00E+00
 108 RCYT H4'    108 RCYT H5"     2.70  1.00E+00

 108 RCYT H4'    109 URA  H5      5.00  1.00E+00

# URA 109
 109 URA  H6     109 URA  H2'     4.00  1.00E+00
 109 URA  H6     109 URA  H3'     3.00  1.00E+00
 109 URA  H3'    109 URA  H5"     3.30  1.00E+00
 109 URA  H4'    109 URA  H5'     2.70  1.00E+00
 109 URA  H4'    109 URA  H5"     2.70  1.00E+00

 109 URA  H2'    110 RGUA H8      5.00  1.00E+00
 109 URA  H3'    110 RGUA H8      3.30  1.00E+00  

# RGUA 110
 110 RGUA H8     110 RGUA H2'     4.00  1.00E+00
 110 RGUA H8     110 RGUA H3'     3.00  1.00E+00
 110 RGUA H3'    110 RGUA H5"     3.30  1.00E+00
 110 RGUA H4'    110 RGUA H5'     2.70  1.00E+00
 110 RGUA H4'    110 RGUA H5"     2.70  1.00E+00



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