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
	627782	5xq5	cing	1-original	1	DYANA/DIANA	distance	NOE	simple

# Restraints file 1: ecoliD5.upl
#seq NOEs
1 LYS HB2 2 ALA H 3.54
2 ALA HA 3 ASN H 3.02
5 TRP HB3 6 GLN H 4.16
5 TRP H 6 GLN H 2.63
5 TRP H 6 GLN HB2 4.82
6 GLN HG2 7 GLN H 4.36
6 GLN H 7 GLN H 2.81
6 GLN HB2 7 GLN H 3.06
6 GLN H 7 GLN HB2 4.81
7 GLN H 8 PHE HB2 4.61
7 GLN H 8 PHE H 2.47
7 GLN HG2 8 PHE H 4.90
7 GLN HB2 8 PHE H 3.17
8 PHE H 9 ALA H 2.83
8 PHE H 9 ALA HA 5.38
8 PHE HA 9 ALA H 3.61
8 PHE HB2 9 ALA H 3.16
9 ALA H 10 GLU H 2.87
9 ALA H 10 GLU HA 5.45
9 ALA H 10 GLU HB2 5.36
9 ALA H 10 GLU HG2 4.06
9 ALA HA 10 GLU H 3.62
10 GLU HA 11 THR H 3.63
10 GLU HG2 11 THR H 4.17
10 GLU HB2 11 THR H 3.04
10 GLU H 11 THR H 2.59
11 THR HA 12 HIS H 3.34
11 THR HB 12 HIS H 4.54
11 THR H 12 HIS HA 4.90
11 THR H 12 HIS HB3 4.59
12 HIS H 13 ASN H 2.81
12 HIS HA 13 ASN H 3.58
12 HIS HB3 13 ASN H 4.19
12 HIS H 13 ASN HA 5.36
13 ASN H 14 LYS H 4.75
13 ASN HA 14 LYS H 2.64
13 ASN HB3 14 LYS H 2.39
14 LYS H 15 GLY H 3.98
14 LYS HA 15 GLY H 2.30
14 LYS HB2 15 GLY H 3.76
14 LYS H 15 GLY HA2 5.18
15 GLY H 16 ASP HB2 4.70
15 GLY H 16 ASP H 2.31
15 GLY HA2 16 ASP H 3.37
16 ASP H 17 ARG H 4.60
16 ASP HA 17 ARG H 2.72
16 ASP HB2 17 ARG H 2.87
17 ARG H 18 VAL H 4.70
17 ARG HA 18 VAL H 2.39
17 ARG HB2 18 VAL H 4.08
17 ARG H 18 VAL HA 5.42
18 VAL H 19 GLU H 4.51
18 VAL HA 19 GLU H 2.79
18 VAL H 19 GLU HA 4.82
18 VAL HB 19 GLU H 2.09
19 GLU HA 20 GLY H 2.42
19 GLU HG2 20 GLY H 3.23
19 GLU HB3 20 GLY H 3.19
20 GLY HA2 21 LYS H 2.44
20 GLY H 21 LYS H 4.35
21 LYS HB2 22 ILE H 2.89
21 LYS H 22 ILE H 4.57
22 ILE H 23 LYS H 2.55
23 LYS H 24 SER H 2.81
23 LYS HE2 24 SER H 3.92
24 SER H 25 ILE H 4.15
24 SER HB2 25 ILE H 4.32
24 SER HA 25 ILE H 2.49
25 ILE H 26 THR H 4.53
25 ILE HA 26 THR H 2.44
25 ILE HB 26 THR H 2.81
25 ILE HG12 26 THR H 3.92
25 ILE H 26 THR HG1 5.97
25 ILE H 26 THR HA 5.01
26 THR HA 27 ASP H 2.40
26 THR HG1 27 ASP H 4.41
27 ASP H 28 PHE HA 5.31
27 ASP H 28 PHE H 2.71
27 ASP HB3 28 PHE H 4.18
28 PHE HB2 29 GLY H 4.31
28 PHE H 29 GLY H 2.25
28 PHE H 29 GLY HA3 4.21
29 GLY H 30 ILE H 3.48
29 GLY HA2 30 ILE H 2.50
29 GLY H 30 ILE HB 5.95
29 GLY H 30 ILE HG12 5.00
30 ILE HB 31 PHE H 4.64
30 ILE H 31 PHE H 4.48
30 ILE H 31 PHE HA 5.76
30 ILE HG12 31 PHE H 4.01
31 PHE H 32 ILE H 4.34
31 PHE HA 32 ILE H 2.30
31 PHE HB2 32 ILE H 4.11
31 PHE H 32 ILE HA 4.97
32 ILE HA 33 GLY H 2.31
32 ILE H 33 GLY H 4.40
33 GLY H 34 LEU H 4.09
33 GLY HA2 34 LEU H 2.41
34 LEU H 35 ASP H 4.79
34 LEU HA 35 ASP H 2.60
34 LEU HB3 35 ASP H 3.48
34 LEU HG 35 ASP H 2.10
34 LEU HB2 35 ASP H 3.48
35 ASP HA 36 GLY H 3.66
35 ASP HB2 36 GLY H 2.93
35 ASP H 36 GLY H 3.02
35 ASP H 36 GLY HA3 5.44
36 GLY HA3 37 GLY H 3.12
36 GLY H 37 GLY H 2.48
36 GLY H 37 GLY HA2 4.28
39 ASP H 40 GLY H 4.34
39 ASP HA 40 GLY H 2.32
39 ASP HB2 40 GLY H 3.53
40 GLY HA2 41 LEU H 2.62
40 GLY H 41 LEU H 4.55
40 GLY H 41 LEU HA 4.92
40 GLY H 41 LEU HB3 5.08
41 LEU HA 42 VAL H 2.43
41 LEU HB2 42 VAL H 2.93
41 LEU HG 42 VAL H 5.02
42 VAL HA 43 HIS H 2.31
42 VAL H 43 HIS H 4.05
42 VAL HB 43 HIS H 4.46
43 HIS HA 44 LEU H 3.60
43 HIS HB2 44 LEU H 3.18
43 HIS H 44 LEU H 2.50
44 LEU H 45 SER H 2.78
44 LEU HG 45 SER H 5.73
44 LEU H 45 SER HB3 5.88
44 LEU H 45 SER HA 5.35
44 LEU H 45 SER HB2 5.88
44 LEU HA 45 SER H 3.55
44 LEU HB2 45 SER H 3.56
45 SER H 46 ASP H 2.93
45 SER HA 46 ASP H 3.20
45 SER HB3 46 ASP H 4.21
45 SER H 46 ASP HB2 4.57
46 ASP H 47 ILE H 2.76
46 ASP HB2 47 ILE H 3.94
46 ASP H 47 ILE HB 4.95
46 ASP H 47 ILE HG12 4.41
46 ASP HA 47 ILE H 3.43
47 ILE H 48 SER HA 5.21
47 ILE HB 48 SER H 4.20
47 ILE HG12 48 SER H 3.66
47 ILE H 48 SER H 2.94
47 ILE H 48 SER HB3 5.25
48 SER HA 49 TRP H 2.37
48 SER HB3 49 TRP H 3.32
49 TRP H 50 ASN HA 5.15
49 TRP H 50 ASN HB3 5.92
49 TRP H 50 ASN H 2.68
49 TRP HA 50 ASN H 3.71
49 TRP HB2 50 ASN H 2.58
50 ASN H 51 VAL H 2.11
50 ASN HA 51 VAL H 3.70
50 ASN HB2 51 VAL H 3.06
50 ASN H 51 VAL HA 4.43
50 ASN H 51 VAL HB 5.91
51 VAL H 52 ALA H 4.56
51 VAL HB 52 ALA H 2.32
52 ALA H 53 GLY H 4.79
52 ALA H 53 GLY HA2 5.99
53 GLY H 54 GLU H 2.85
53 GLY HA2 54 GLU H 3.23
53 GLY H 54 GLU HB2 4.80
54 GLU HA 55 GLU H 3.63
54 GLU H 55 GLU H 2.89
55 GLU H 56 ALA HA 5.11
55 GLU H 56 ALA H 2.47
55 GLU HA 56 ALA H 3.70
55 GLU HG2 56 ALA H 5.03
55 GLU HB2 56 ALA H 2.62
56 ALA H 57 VAL H 2.92
57 VAL H 58 ARG HB3 4.92
57 VAL HA 58 ARG H 3.62
57 VAL H 58 ARG H 2.84
58 ARG HG2 59 GLU H 4.98
58 ARG H 59 GLU H 2.88
58 ARG HB2 59 GLU H 3.68
58 ARG H 59 GLU HG3 5.36
59 GLU HG2 60 TYR H 4.83
59 GLU HB2 60 TYR H 2.86
59 GLU H 60 TYR HA 5.15
59 GLU HA 60 TYR H 3.68
59 GLU H 60 TYR HB3 5.51
60 TYR HB2 61 LYS H 3.11
60 TYR H 61 LYS H 4.47
61 LYS HB2 62 LYS H 3.70
62 LYS H 63 GLY H 4.71
63 GLY H 64 ASP H 2.51
63 GLY HA2 64 ASP H 3.29
63 GLY H 64 ASP HB2 4.22
64 ASP HB3 65 GLU H 3.08
64 ASP HA 65 GLU H 2.52
64 ASP H 65 GLU H 4.80
65 GLU HB3 66 ILE H 3.22
65 GLU H 66 ILE HA 5.23
66 ILE H 67 ALA H 4.58
66 ILE HB 67 ALA H 2.32
66 ILE H 67 ALA HA 4.97
66 ILE HA 67 ALA H 2.67
67 ALA HA 68 ALA H 2.35
67 ALA H 68 ALA H 4.48
68 ALA HA 69 VAL H 2.61
68 ALA H 69 VAL H 4.53
69 VAL H 70 VAL H 4.58
69 VAL HA 70 VAL H 2.31
69 VAL HB 70 VAL H 3.37
70 VAL H 71 LEU H 4.77
70 VAL HA 71 LEU H 2.37
70 VAL HB 71 LEU H 4.13
70 VAL H 71 LEU HB3 6.10
71 LEU H 72 GLN H 2.22
71 LEU HA 72 GLN H 3.70
71 LEU HB2 72 GLN H 2.70
72 GLN H 73 VAL H 4.43
72 GLN HG3 73 VAL H 2.84
73 VAL HB 74 ASP H 3.53
73 VAL HA 74 ASP H 2.29
73 VAL H 74 ASP HA 4.77
74 ASP HA 75 ALA H 2.31
74 ASP HB3 75 ALA H 3.85
74 ASP H 75 ALA H 4.66
74 ASP H 75 ALA HA 5.42
75 ALA HA 76 GLU H 3.66
75 ALA H 76 GLU H 2.56
75 ALA H 76 GLU HA 5.24
75 ALA H 76 GLU HG2 5.41
75 ALA H 76 GLU HB2 4.58
76 GLU HB2 77 ARG H 3.06
76 GLU H 77 ARG H 2.47
76 GLU HA 77 ARG H 3.65
76 GLU HG2 77 ARG H 4.94
76 GLU H 77 ARG HA 5.17
76 GLU H 77 ARG HB3 4.81
77 ARG H 78 GLU H 2.39
77 ARG HA 78 GLU H 3.57
77 ARG HG3 78 GLU H 5.14
77 ARG HB2 78 GLU H 3.82
78 GLU HA 79 ARG H 2.74
78 GLU HB2 79 ARG H 4.49
78 GLU H 79 ARG HA 5.56
78 GLU H 79 ARG HB3 5.35
78 GLU H 79 ARG H 3.10
79 ARG HB2 80 ILE H 3.68
79 ARG HA 80 ILE H 2.29
79 ARG H 80 ILE H 4.32
79 ARG H 80 ILE HA 4.85
80 ILE HB 81 SER H 3.87
80 ILE HA 81 SER H 2.42
80 ILE H 81 SER HA 5.44
80 ILE H 81 SER HB3 5.63
81 SER HA 82 LEU H 2.37
81 SER HB3 82 LEU H 3.57
81 SER H 82 LEU H 4.47
82 LEU H 83 GLY H 4.66
82 LEU HA 83 GLY H 2.48
82 LEU HB2 83 GLY H 2.77
83 GLY HA2 84 VAL H 3.15
83 GLY HA3 84 VAL H 3.15
83 GLY H 84 VAL H 2.84
84 VAL HA 85 LYS H 3.66
84 VAL HB 85 LYS H 4.14
84 VAL H 85 LYS H 2.72
85 LYS H 86 GLN H 2.76
85 LYS H 86 GLN HB3 4.63
85 LYS HA 86 GLN H 3.65
86 GLN HA 87 LEU H 3.61
86 GLN H 87 LEU HB3 4.96
86 GLN H 87 LEU HA 5.35
86 GLN H 87 LEU H 2.78
86 GLN HG2 87 LEU H 5.12
87 LEU HB2 88 ALA H 2.99
87 LEU HA 88 ALA H 3.71
87 LEU H 88 ALA HA 5.36
88 ALA HA 89 GLU H 2.47
89 GLU HG2 90 ASP H 2.26
89 GLU HB3 90 ASP H 2.43
89 GLU HA 90 ASP H 2.86
92 PHE H 93 ASN H 4.63
92 PHE HA 93 ASN H 2.60
92 PHE HB3 93 ASN H 3.15
92 PHE H 93 ASN HA 5.87
92 PHE H 93 ASN HB2 5.13
93 ASN HA 94 ASN H 2.34
93 ASN H 94 ASN HA 4.76
93 ASN HB3 94 ASN H 3.96

#short
3 ASN HA 5 TRP H 5.28
3 ASN HB2 5 TRP H 4.56
5 TRP H 7 GLN H 4.35
5 TRP HB3 7 GLN H 5.53
6 GLN H 9 ALA H 5.53
6 GLN HG2 8 PHE H 5.79
7 GLN H 9 ALA H 4.19
7 GLN HG2 9 ALA H 6.08
7 GLN HA 10 GLU H 3.94
8 PHE HB2 10 GLU H 5.21
9 ALA H 11 THR H 4.36
9 ALA H 12 HIS H 5.49
10 GLU HA 12 HIS H 3.71
14 LYS H 16 ASP H 3.89
14 LYS HA 16 ASP H 3.66
22 ILE HA 24 SER H 3.74
26 THR H 28 PHE H 5.04
26 THR HA 28 PHE H 3.41
27 ASP H 29 GLY H 4.01
29 GLY HA2 31 PHE H 5.60
34 LEU HA 36 GLY H 4.59
35 ASP HA 37 GLY H 5.54
35 ASP HB2 37 GLY H 5.23
42 VAL HA 45 SER H 4.67
43 HIS H 45 SER H 4.19
43 HIS HA 45 SER H 3.65
43 HIS HA 46 ASP H 4.52
44 LEU H 46 ASP H 4.59
44 LEU HB2 46 ASP H 4.82
45 SER HA 47 ILE H 3.12
48 SER HA 50 ASN H 4.48
48 SER HB2 50 ASN H 4.07
48 SER HB3 50 ASN H 4.07
49 TRP H 51 VAL H 4.16
49 TRP HB2 51 VAL H 4.42
49 TRP HB3 51 VAL H 4.42
52 ALA H 55 GLU H 4.95
52 ALA HA 54 GLU H 4.19
52 ALA H 55 GLU HB2 4.92
53 GLY H 55 GLU H 4.65
53 GLY H 56 ALA H 5.25
53 GLY HA2 55 GLU H 3.77
53 GLY HA2 56 ALA H 3.14
53 GLY HA2 57 VAL H 3.72
54 GLU H 57 VAL H 5.02
54 GLU HA 57 VAL H 4.33
54 GLU HB3 57 VAL H 6.10
54 GLU H 56 ALA H 4.51
54 GLU HA 56 ALA H 5.16
55 GLU H 57 VAL H 3.88
55 GLU HA 57 VAL H 4.32
55 GLU HA 58 ARG H 3.71
55 GLU HA 59 GLU H 6.06
55 GLU H 58 ARG HB3 5.90
56 ALA H 58 ARG H 4.33
56 ALA H 58 ARG HB3 5.58
57 VAL HA 59 GLU H 3.82
57 VAL H 53 GLY HA2 3.72
57 VAL H 59 GLU H 4.51
57 VAL H 60 TYR H 5.27
57 VAL HA 60 TYR H 3.16
58 ARG H 60 TYR H 4.46
58 ARG HB2 55 GLU H 5.90
60 TYR HB2 64 ASP H 4.73
61 LYS H 64 ASP H 5.10
62 LYS H 64 ASP HB3 5.72
70 VAL HA 72 GLN H 4.29
74 ASP H 76 GLU H 6.02
74 ASP H 77 ARG H 5.30
74 ASP HA 76 GLU H 4.03
74 ASP HB2 76 GLU H 3.84
74 ASP HB3 76 GLU H 3.84
74 ASP HB2 78 GLU H 2.64
74 ASP HA 77 ARG H 4.29
74 ASP HB2 77 ARG H 2.37
74 ASP HB3 77 ARG H 2.37
75 ALA H 77 ARG H 3.92
76 GLU H 78 GLU H 3.71
77 ARG HG3 79 ARG H 5.58
77 ARG H 79 ARG H 4.56
77 ARG HA 79 ARG H 5.35
77 ARG HB2 79 ARG H 3.81
77 ARG HB3 79 ARG H 3.81
78 GLU HB2 80 ILE H 6.00
83 GLY HA2 86 GLN H 3.50
84 VAL HA 87 LEU H 3.71
84 VAL H 87 LEU HB2 5.83
84 VAL H 87 LEU HB3 5.83
84 VAL H 86 GLN H 4.28
84 VAL HA 86 GLN H 4.26
85 LYS H 87 LEU H 4.26
85 LYS HA 87 LEU H 3.98
86 GLN H 88 ALA H 4.82
86 GLN HA 88 ALA H 4.73
90 ASP HA 92 PHE H 4.22
90 ASP HB2 92 PHE H 2.66
90 ASP HB3 92 PHE H 2.66

#long-range
11 THR H 39 ASP H 4.70
14 LYS HB2 71 LEU H 5.53
15 GLY H 70 VAL H 3.97
16 ASP H 69 VAL HA 4.94  
16 ASP H 70 VAL H 3.66
16 ASP H 70 VAL QG1 2.67
17 ARG H 69 VAL HA 4.51
17 ARG H 70 VAL QG1 4.85
17 ARG HA 69 VAL H 4.65
17 ARG HA 70 VAL H 3.58
18 VAL H 68 ALA H 3.61
19 GLU H 34 LEU HB 3.67
19 GLU HA 68 ALA H 3.28
19 GLU HG2 68 ALA H 4.31
20 GLY H 66 ILE H 3.29
20 GLY H 67 ALA H 4.96
20 GLY H 67 ALA HA 3.16
20 GLY H 67 ALA QB 4.44
20 GLY H 68 ALA H 4.48
20 GLY H 68 ALA QB 5.52
20 GLY HA2 66 ILE H 3.73  
22 ILE H 64 ASP H 3.31
30 ILE H 42 VAL H 3.16
31 PHE HA 40 GLY H 4.38
31 PHE HA 42 VAL H 4.26
32 ILE H 40 GLY HA2 4.14
32 ILE H 41 LEU HA 3.95
33 GLY H 39 ASP HA 4.62
33 GLY HA2 40 GLY H 4.10
34 LEU H 39 ASP HA 3.68
41 LEU H 78 GLU HB3 5.36
41 LEU H 80 ILE H 4.88
69 VAL H 82 LEU HA 4.57
69 VAL H 83 GLY H 3.43
69 VAL H 84 VAL HA 4.20
69 VAL HA 83 GLY H 4.81
70 VAL HA 83 GLY H 4.54
71 LEU H 82 LEU HA 3.06
71 LEU H 83 GLY H 4.26
72 GLN H 81 SER HA 4.98
72 GLN H 82 LEU HA 4.36
74 ASP H 79 ARG H 3.15
74 ASP HA 79 ARG H 5.07
15 GLY H 71 LEU H 4.91
18 VAL H 70 VAL H 4.25
21 LYS H 32 ILE H 5.03 
21 LYS H 66 ILE H 5.16
23 LYS H 63 GLY H 3.98 
31 PHE H 42 VAL H 5.25
32 ILE H 40 GLY H 2.51
34 LEU H 37 GLY H 3.55
34 LEU H 39 ASP H 5.25
34 LEU H 40 GLY H 5.51
72 GLN H 81 SER H 3.34
74 ASP H 80 ILE H 4.87# Restraints file 2: ecoliD5.aco

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