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
638310 6aas cing 1-original 1 DYANA/DIANA distance hydrogen bond simple


# Restraints file 1: h45_restraints.txt
#hydrogen bond
# RGUA 1 RCYT 28
1 RGUA  H1    28 RCYT N3      1.80  1.00E+00
1 RGUA  N1    28 RCYT N3      2.90  1.00E+00
1 RGUA  H21   28 RCYT O2      1.80  1.00E+00
1 RGUA  N2    28 RCYT O2      2.90  1.00E+00
1 RGUA  O6    28 RCYT H41     1.80  1.00E+00
1 RGUA  O6    28 RCYT N4      2.90  1.00E+00

# RGUA 2 RCYT 27
2 RGUA  H1    27 RCYT N3      1.80  1.00E+00
2 RGUA  N1    27 RCYT N3      2.90  1.00E+00
2 RGUA  H21   27 RCYT O2      1.80  1.00E+00
2 RGUA  N2    27 RCYT O2      2.90  1.00E+00
2 RGUA  O6    27 RCYT H41     1.80  1.00E+00
2 RGUA  O6    27 RCYT N4      2.90  1.00E+00

# URA 3 RGUA 26
3 URA   H3    26 RGUA O6      1.80  1.00E+00
3 URA   N3    26 RGUA O6      2.90  1.00E+00
3 URA   O2    26 RGUA H1      1.80  1.00E+00
3 URA   O2    26 RGUA N1      2.90  1.00E+00

# RADE 4 URA 25
4 RADE  N1    25 URA  H3      1.80  1.00E+00
4 RADE  N1    25 URA  N3      2.90  1.00E+00
4 RADE  H61   25 URA  O4      1.80  1.00E+00
4 RADE  N6    25 URA  O4      2.90  1.00E+00

# RADE 5 URA 24
5 RADE  N1    24 URA  H3      1.80  1.00E+00
5 RADE  N1    24 URA  N3      2.90  1.00E+00
5 RADE  H61   24 URA  O4      1.80  1.00E+00
5 RADE  N6    24 URA  O4      2.90  1.00E+00

# RGUA 6 RCYT 23
6 RGUA  H1    23 RCYT N3      1.80  1.00E+00
6 RGUA  N1    23 RCYT N3      2.90  1.00E+00
6 RGUA  H21   23 RCYT O2      1.80  1.00E+00
6 RGUA  N2    23 RCYT O2      2.90  1.00E+00
6 RGUA  O6    23 RCYT H41     1.80  1.00E+00
6 RGUA  O6    23 RCYT N4      2.90  1.00E+00

# URA 7 RADE 22 
7  URA  H3    22 RADE N1      1.80  1.00E+00
7  URA  N3    22 RADE N1      2.90  1.00E+00
7  URA  O4    22 RADE H61     1.80  1.00E+00
7  URA  O4    22 RADE N6      2.90  1.00E+00

# RGUA 8 RCYT 21
8 RGUA  H1    21 RCYT N3      1.80  1.00E+00
8 RGUA  N1    21 RCYT N3      2.90  1.00E+00
8 RGUA  H21   21 RCYT O2      1.80  1.00E+00
8 RGUA  N2    21 RCYT O2      2.90  1.00E+00
8 RGUA  O6    21 RCYT H41     1.80  1.00E+00
8 RGUA  O6    21 RCYT N4      2.90  1.00E+00

# URA 9 RGUA 20
9 URA   H3    20 RGUA O6      1.80  1.00E+00
9 URA   N3    20 RGUA O6      2.90  1.00E+00
9 URA   O2    20 RGUA H1      1.80  1.00E+00
9 URA   O2    20 RGUA N1      2.90  1.00E+00

# RADE 10 URA 19
10 RADE  N1    19 URA  H3      1.80  1.00E+00
10 RADE  N1    19 URA  N3      2.90  1.00E+00
10 RADE  H61   19 URA  O4      1.80  1.00E+00
10 RADE  N6    19 URA  O4      2.90  1.00E+00

# RCYT 11 RGUA 18
11 RCYT  N3    18 RGUA H1      1.80  1.00E+00
11 RCYT  N3    18 RGUA N1      2.90  1.00E+00
11 RCYT  O2    18 RGUA H21     1.80  1.00E+00
11 RCYT  O2    18 RGUA N2      2.90  1.00E+00
11 RCYT  H41   18 RGUA O6      1.80  1.00E+00
11 RCYT  N4    18 RGUA O6      2.90  1.00E+00

# URA 12 RADE 17 
12  URA  H3    17 RADE N1      1.80  1.00E+00
12  URA  N3    17 RADE N1      2.90  1.00E+00
12  URA  O4    17 RADE H61     1.80  1.00E+00
12  URA  O4    17 RADE N6      2.90  1.00E+00

#----------------------------------------------------------------------
#        GNRA loop H-bonds
#        All H-bond information from Art Pardi's lab 
#        Jucker et al., (1996) 264, 968-980
#----------------------------------------------------------------------

#G13-A16
 13 RGUA H22   16 RADE N7       1.80  1.00E+00
 13 RGUA N2    16 RADE N7       2.90  1.00E+00
#13 RGUA O2'    16 RADE H61     1.80  1.00E+00
#13 RGUA O2'    16 RADE N6      2.90  1.00E+00
#13 RGUA HO2'   15 RADE N7      1.80  1.00E+00
#13 RGUA O2'    15 RADE O6      2.90  1.00E+00 NOT LINEAR H-BOND
#----------------------------------------------------------------------

# RGUA 1 RCYT 28
1 RGUA  H1    28 RCYT N3      1.89  1.00E+00
1 RGUA  N1    28 RCYT N3      3.00  1.00E+00
1 RGUA  H21   28 RCYT O2      1.89  1.00E+00
1 RGUA  N2    28 RCYT O2      3.00  1.00E+00
1 RGUA  O6    28 RCYT H41     1.89  1.00E+00
1 RGUA  O6    28 RCYT N4      3.00  1.00E+00

# RGUA 2 RCYT 27
2 RGUA  H1    27 RCYT N3      1.89  1.00E+00
2 RGUA  N1    27 RCYT N3      3.00  1.00E+00
2 RGUA  H21   27 RCYT O2      1.89  1.00E+00
2 RGUA  N2    27 RCYT O2      3.00  1.00E+00
2 RGUA  O6    27 RCYT H41     1.89  1.00E+00
2 RGUA  O6    27 RCYT N4      3.00  1.00E+00

# URA 3 RGUA 26 
3 URA   H3    26 RGUA O6      1.89  1.00E+00
3 URA   N3    26 RGUA O6      3.00  1.00E+00
3 URA   O2    26 RGUA H1      1.89  1.00E+00
3 URA   O2    26 RGUA N1      3.00  1.00E+00

# RADE 4 URA 25
4 RADE  N1    25 URA  H3      1.89  1.00E+00
4 RADE  N1    25 URA  N3      3.00  1.00E+00
4 RADE  H61   25 URA  O4      1.89  1.00E+00
4 RADE  N6    25 URA  O4      3.00  1.00E+00

# RADE 5 URA 24
5 RADE  N1    24 URA  H3      1.89  1.00E+00
5 RADE  N1    24 URA  N3      3.00  1.00E+00
5 RADE  H61   24 URA  O4      1.89  1.00E+00
5 RADE  N6    24 URA  O4      3.00  1.00E+00

# RGUA 6 RCYT 23
6 RGUA  H1    23 RCYT N3      1.89  1.00E+00
6 RGUA  N1    23 RCYT N3      3.00  1.00E+00
6 RGUA  H21   23 RCYT O2      1.89  1.00E+00
6 RGUA  N2    23 RCYT O2      3.00  1.00E+00
6 RGUA  O6    23 RCYT H41     1.89  1.00E+00
6 RGUA  O6    23 RCYT N4      3.00  1.00E+00

# URA 7 RADE 22
7  URA  H3    22 RADE N1      1.89  1.00E+00
7  URA  N3    22 RADE N1      3.00  1.00E+00
7  URA  O4    22 RADE H61     1.89  1.00E+00
7  URA  O4    22 RADE N6      3.00  1.00E+00

# RGUA 8 RCYT 21
8 RGUA  H1    21 RCYT N3      1.89  1.00E+00
8 RGUA  N1    21 RCYT N3      3.00  1.00E+00
8 RGUA  H21   21 RCYT O2      1.89  1.00E+00
8 RGUA  N2    21 RCYT O2      3.00  1.00E+00
8 RGUA  O6    21 RCYT H41     1.89  1.00E+00
8 RGUA  O6    21 RCYT N4      3.00  1.00E+00

# URA 9 RGUA 20 
9 URA   H3    20 RGUA O6      1.89  1.00E+00
9 URA   N3    20 RGUA O6      3.00  1.00E+00
9 URA   O2    20 RGUA H1      1.89  1.00E+00
9 URA   O2    20 RGUA N1      3.00  1.00E+00

# RADE 10 URA 19
10 RADE  N1    19 URA  H3      1.89  1.00E+00
10 RADE  N1    19 URA  N3      3.00  1.00E+00
10 RADE  H61   19 URA  O4      1.89  1.00E+00
10 RADE  N6    19 URA  O4      3.00  1.00E+00

# RCYT 11 RGUA 18
11 RCYT  N3    18 RGUA H1      1.89  1.00E+00
11 RCYT  N3    18 RGUA N1      3.00  1.00E+00
11 RCYT  O2    18 RGUA H21     1.89  1.00E+00
11 RCYT  O2    18 RGUA N2      3.00  1.00E+00
11 RCYT  H41   18 RGUA O6      1.89  1.00E+00
11 RCYT  N4    18 RGUA O6      3.00  1.00E+00

# URA 12 RADE 17
12  URA  H3    17 RADE N1      1.89  1.00E+00
12  URA  N3    17 RADE N1      3.00  1.00E+00
12  URA  O4    17 RADE H61     1.89  1.00E+00
12  URA  O4    17 RADE N6      3.00  1.00E+00

#----------------------------------------------------------------------
#        GNRA loop H-bonds
#        All H-bond information from Art Pardi's lab 
#        Jucker et al., (1996) 264, 968-980
#----------------------------------------------------------------------

#G13-A16
 13 RGUA H22   16 RADE N7       1.89  1.00E+00
 13 RGUA N2    16 RADE N7       3.00  1.00E+00
#13 RGUA O2'    16 RADE H61     1.89  1.00E+00
#13 RGUA O2'    16 RADE N6      3.00  1.00E+00
#13 RGUA HO2'   15 RADE N7      1.89  1.00E+00
#13 RGUA O2'    15 RADE O6      3.00  1.00E+00 NOT LINEAR H-BOND
#----------------------------------------------------------------------





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