NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
500863 |
2rre   |
11250 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 40 |
data_2rre_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rre
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2rre 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rre
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2rre "Master copy" parsed_2rre
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rre
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2rre.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rre 1
1 2rre.mr . . DYANA/DIANA 2 distance NOE simple 994 parsed_2rre 1
1 2rre.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 40 parsed_2rre 1
1 2rre.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2rre 1
1 2rre.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rre 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2rre
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2rre 1
2 1 . . . parsed_2rre 1
3 1 . . . parsed_2rre 1
4 1 . . . parsed_2rre 1
5 1 . . . parsed_2rre 1
6 1 . . . parsed_2rre 1
7 1 . . . parsed_2rre 1
8 1 . . . parsed_2rre 1
9 1 . . . parsed_2rre 1
10 1 . . . parsed_2rre 1
11 1 . . . parsed_2rre 1
12 1 . . . parsed_2rre 1
13 1 . . . parsed_2rre 1
14 1 . . . parsed_2rre 1
15 1 . . . parsed_2rre 1
16 1 . . . parsed_2rre 1
17 1 . . . parsed_2rre 1
18 1 . . . parsed_2rre 1
19 1 . . . parsed_2rre 1
20 1 . . . parsed_2rre 1
21 1 . . . parsed_2rre 1
22 1 . . . parsed_2rre 1
23 1 . . . parsed_2rre 1
24 1 . . . parsed_2rre 1
25 1 . . . parsed_2rre 1
26 1 . . . parsed_2rre 1
27 1 . . . parsed_2rre 1
28 1 . . . parsed_2rre 1
29 1 . . . parsed_2rre 1
30 1 . . . parsed_2rre 1
31 1 . . . parsed_2rre 1
32 1 . . . parsed_2rre 1
33 1 . . . parsed_2rre 1
34 1 . . . parsed_2rre 1
35 1 . . . parsed_2rre 1
36 1 . . . parsed_2rre 1
37 1 . . . parsed_2rre 1
38 1 . . . parsed_2rre 1
39 1 . . . parsed_2rre 1
40 1 . . . parsed_2rre 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 11 ARG O parsed_2rre 1
1 1 2 . . . . . . . . . 15 GLN N parsed_2rre 1
2 1 1 . . . . . . . . . 11 ARG O parsed_2rre 1
2 1 2 . . . . . . . . . 15 GLN HN parsed_2rre 1
3 1 1 . . . . . . . . . 13 LEU O parsed_2rre 1
3 1 2 . . . . . . . . . 17 VAL N parsed_2rre 1
4 1 1 . . . . . . . . . 13 LEU O parsed_2rre 1
4 1 2 . . . . . . . . . 17 VAL HN parsed_2rre 1
5 1 1 . . . . . . . . . 14 LYS O parsed_2rre 1
5 1 2 . . . . . . . . . 18 ILE N parsed_2rre 1
6 1 1 . . . . . . . . . 14 LYS O parsed_2rre 1
6 1 2 . . . . . . . . . 18 ILE HN parsed_2rre 1
7 1 1 . . . . . . . . . 15 GLN O parsed_2rre 1
7 1 2 . . . . . . . . . 19 GLN N parsed_2rre 1
8 1 1 . . . . . . . . . 15 GLN O parsed_2rre 1
8 1 2 . . . . . . . . . 19 GLN HN parsed_2rre 1
9 1 1 . . . . . . . . . 16 ARG O parsed_2rre 1
9 1 2 . . . . . . . . . 20 TYR N parsed_2rre 1
10 1 1 . . . . . . . . . 16 ARG O parsed_2rre 1
10 1 2 . . . . . . . . . 20 TYR HN parsed_2rre 1
11 1 1 . . . . . . . . . 17 VAL O parsed_2rre 1
11 1 2 . . . . . . . . . 21 LEU N parsed_2rre 1
12 1 1 . . . . . . . . . 17 VAL O parsed_2rre 1
12 1 2 . . . . . . . . . 21 LEU HN parsed_2rre 1
13 1 1 . . . . . . . . . 32 THR O parsed_2rre 1
13 1 2 . . . . . . . . . 36 ALA N parsed_2rre 1
14 1 1 . . . . . . . . . 32 THR O parsed_2rre 1
14 1 2 . . . . . . . . . 36 ALA HN parsed_2rre 1
15 1 1 . . . . . . . . . 34 ILE O parsed_2rre 1
15 1 2 . . . . . . . . . 38 ASP N parsed_2rre 1
16 1 1 . . . . . . . . . 34 ILE O parsed_2rre 1
16 1 2 . . . . . . . . . 38 ASP HN parsed_2rre 1
17 1 1 . . . . . . . . . 35 LEU O parsed_2rre 1
17 1 2 . . . . . . . . . 39 LEU N parsed_2rre 1
18 1 1 . . . . . . . . . 35 LEU O parsed_2rre 1
18 1 2 . . . . . . . . . 39 LEU HN parsed_2rre 1
19 1 1 . . . . . . . . . 36 ALA O parsed_2rre 1
19 1 2 . . . . . . . . . 40 GLN N parsed_2rre 1
20 1 1 . . . . . . . . . 36 ALA O parsed_2rre 1
20 1 2 . . . . . . . . . 40 GLN HN parsed_2rre 1
21 1 1 . . . . . . . . . 37 SER O parsed_2rre 1
21 1 2 . . . . . . . . . 41 ARG N parsed_2rre 1
22 1 1 . . . . . . . . . 37 SER O parsed_2rre 1
22 1 2 . . . . . . . . . 41 ARG HN parsed_2rre 1
23 1 1 . . . . . . . . . 38 ASP O parsed_2rre 1
23 1 2 . . . . . . . . . 42 LEU N parsed_2rre 1
24 1 1 . . . . . . . . . 38 ASP O parsed_2rre 1
24 1 2 . . . . . . . . . 42 LEU HN parsed_2rre 1
25 1 1 . . . . . . . . . 53 ASN O parsed_2rre 1
25 1 2 . . . . . . . . . 57 ILE N parsed_2rre 1
26 1 1 . . . . . . . . . 53 ASN O parsed_2rre 1
26 1 2 . . . . . . . . . 57 ILE HN parsed_2rre 1
27 1 1 . . . . . . . . . 54 ALA O parsed_2rre 1
27 1 2 . . . . . . . . . 58 GLN N parsed_2rre 1
28 1 1 . . . . . . . . . 54 ALA O parsed_2rre 1
28 1 2 . . . . . . . . . 58 GLN HN parsed_2rre 1
29 1 1 . . . . . . . . . 55 PHE O parsed_2rre 1
29 1 2 . . . . . . . . . 59 VAL N parsed_2rre 1
30 1 1 . . . . . . . . . 55 PHE O parsed_2rre 1
30 1 2 . . . . . . . . . 59 VAL HN parsed_2rre 1
31 1 1 . . . . . . . . . 56 ARG O parsed_2rre 1
31 1 2 . . . . . . . . . 60 GLU N parsed_2rre 1
32 1 1 . . . . . . . . . 56 ARG O parsed_2rre 1
32 1 2 . . . . . . . . . 60 GLU HN parsed_2rre 1
33 1 1 . . . . . . . . . 57 ILE O parsed_2rre 1
33 1 2 . . . . . . . . . 61 LYS N parsed_2rre 1
34 1 1 . . . . . . . . . 57 ILE O parsed_2rre 1
34 1 2 . . . . . . . . . 61 LYS HN parsed_2rre 1
35 1 1 . . . . . . . . . 58 GLN O parsed_2rre 1
35 1 2 . . . . . . . . . 62 VAL N parsed_2rre 1
36 1 1 . . . . . . . . . 58 GLN O parsed_2rre 1
36 1 2 . . . . . . . . . 62 VAL HN parsed_2rre 1
37 1 1 . . . . . . . . . 59 VAL O parsed_2rre 1
37 1 2 . . . . . . . . . 63 PHE N parsed_2rre 1
38 1 1 . . . . . . . . . 59 VAL O parsed_2rre 1
38 1 2 . . . . . . . . . 63 PHE HN parsed_2rre 1
39 1 1 . . . . . . . . . 62 VAL O parsed_2rre 1
39 1 2 . . . . . . . . . 66 ILE N parsed_2rre 1
40 1 1 . . . . . . . . . 62 VAL O parsed_2rre 1
40 1 2 . . . . . . . . . 66 ILE HN parsed_2rre 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.00 parsed_2rre 1
2 1 . . . . . . . 2.00 parsed_2rre 1
3 1 . . . . . . . 3.00 parsed_2rre 1
4 1 . . . . . . . 2.00 parsed_2rre 1
5 1 . . . . . . . 3.00 parsed_2rre 1
6 1 . . . . . . . 2.00 parsed_2rre 1
7 1 . . . . . . . 3.00 parsed_2rre 1
8 1 . . . . . . . 2.00 parsed_2rre 1
9 1 . . . . . . . 3.00 parsed_2rre 1
10 1 . . . . . . . 2.00 parsed_2rre 1
11 1 . . . . . . . 3.00 parsed_2rre 1
12 1 . . . . . . . 2.00 parsed_2rre 1
13 1 . . . . . . . 3.00 parsed_2rre 1
14 1 . . . . . . . 2.00 parsed_2rre 1
15 1 . . . . . . . 3.00 parsed_2rre 1
16 1 . . . . . . . 2.00 parsed_2rre 1
17 1 . . . . . . . 3.00 parsed_2rre 1
18 1 . . . . . . . 2.00 parsed_2rre 1
19 1 . . . . . . . 3.00 parsed_2rre 1
20 1 . . . . . . . 2.00 parsed_2rre 1
21 1 . . . . . . . 3.00 parsed_2rre 1
22 1 . . . . . . . 2.00 parsed_2rre 1
23 1 . . . . . . . 3.00 parsed_2rre 1
24 1 . . . . . . . 2.00 parsed_2rre 1
25 1 . . . . . . . 3.00 parsed_2rre 1
26 1 . . . . . . . 2.00 parsed_2rre 1
27 1 . . . . . . . 3.00 parsed_2rre 1
28 1 . . . . . . . 2.00 parsed_2rre 1
29 1 . . . . . . . 3.00 parsed_2rre 1
30 1 . . . . . . . 2.00 parsed_2rre 1
31 1 . . . . . . . 3.00 parsed_2rre 1
32 1 . . . . . . . 2.00 parsed_2rre 1
33 1 . . . . . . . 3.00 parsed_2rre 1
34 1 . . . . . . . 2.00 parsed_2rre 1
35 1 . . . . . . . 3.00 parsed_2rre 1
36 1 . . . . . . . 2.00 parsed_2rre 1
37 1 . . . . . . . 3.00 parsed_2rre 1
38 1 . . . . . . . 2.00 parsed_2rre 1
39 1 . . . . . . . 3.00 parsed_2rre 1
40 1 . . . . . . . 2.00 parsed_2rre 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 2.0 1 38 1 42 parsed_2rre 1
2 2.0 2 38 2 42 parsed_2rre 1
3 "12 LYS O 16 ARG N 3.00 # 2.0" 3 1 3 43 parsed_2rre 1
4 "12 LYS O 16 ARG HN 2.00 # 2.0" 4 1 4 43 parsed_2rre 1
5 2.0 5 38 5 42 parsed_2rre 1
6 2.0 6 38 6 42 parsed_2rre 1
7 2.0 7 38 7 42 parsed_2rre 1
8 2.0 8 38 8 42 parsed_2rre 1
9 2.0 9 38 9 42 parsed_2rre 1
10 2.0 10 38 10 42 parsed_2rre 1
11 2.0 11 38 11 42 parsed_2rre 1
12 2.0 12 38 12 42 parsed_2rre 1
13 2.0 13 38 13 42 parsed_2rre 1
14 2.0 14 38 14 42 parsed_2rre 1
15 "18 ILE O 22 SER N 3.00 # 2.0" 15 1 15 43 parsed_2rre 1
16 "18 ILE O 22 SER HN 2.00 # 2.0" 16 1 16 43 parsed_2rre 1
17 "19 GLN O 23 SER N 3.00 # 2.0" 17 1 17 43 parsed_2rre 1
18 "19 GLN O 23 SER HN 2.00 # 2.0" 18 1 18 43 parsed_2rre 1
19 "20 TYR O 24 ASN N 3.00 # 2.0" 19 1 19 43 parsed_2rre 1
20 "20 TYR O 24 ASN HN 2.00 # 2.0" 20 1 20 43 parsed_2rre 1
21 "21 LEU O 25 ARG N 3.00 # 2.0" 21 1 21 43 parsed_2rre 1
22 "21 LEU O 25 ARG HN 2.00 # 2.0" 22 1 22 43 parsed_2rre 1
23 2.0 23 38 23 42 parsed_2rre 1
24 2.0 24 38 24 42 parsed_2rre 1
25 2.0 25 38 25 42 parsed_2rre 1
26 2.0 26 38 26 42 parsed_2rre 1
27 2.0 27 38 27 42 parsed_2rre 1
28 2.0 28 38 28 42 parsed_2rre 1
29 2.0 29 38 29 42 parsed_2rre 1
30 2.0 30 38 30 42 parsed_2rre 1
31 2.0 31 38 31 42 parsed_2rre 1
32 2.0 32 38 32 42 parsed_2rre 1
33 2.0 33 38 33 42 parsed_2rre 1
34 2.0 34 38 34 42 parsed_2rre 1
35 "39 LEU O 43 TYR N 3.00 # 2.0" 35 1 35 43 parsed_2rre 1
36 "39 LEU O 43 TYR HN 2.00 # 2.0" 36 1 36 43 parsed_2rre 1
37 "40 GLN O 44 SER N 3.00 # 2.0" 37 1 37 43 parsed_2rre 1
38 "40 GLN O 44 SER HN 2.00 # 2.0" 38 1 38 43 parsed_2rre 1
39 "41 ARG O 45 VAL N 3.00 # 2.0" 39 1 39 43 parsed_2rre 1
40 "41 ARG O 45 VAL HN 2.00 # 2.0" 40 1 40 43 parsed_2rre 1
41 "42 LEU O 46 ASP N 3.00 # 2.0" 41 1 41 43 parsed_2rre 1
42 "42 LEU O 46 ASP HN 2.00 # 2.0" 42 1 42 43 parsed_2rre 1
43 "43 TYR O 47 TYR N 3.00 # 2.0" 43 1 43 43 parsed_2rre 1
44 "43 TYR O 47 TYR HN 2.00 # 2.0" 44 1 44 43 parsed_2rre 1
45 "44 SER O 48 GLY N 3.00 # 2.0" 45 1 45 43 parsed_2rre 1
46 "44 SER O 48 GLY HN 2.00 # 2.0" 46 1 46 43 parsed_2rre 1
47 "45 VAL O 49 ARG N 3.00 # 2.0" 47 1 47 43 parsed_2rre 1
48 "45 VAL O 49 ARG HN 2.00 # 2.0" 48 1 48 43 parsed_2rre 1
49 "46 ASP O 50 ARG N 3.00 # 2.0" 49 1 49 43 parsed_2rre 1
50 "46 ASP O 50 ARG HN 2.00 # 2.0" 50 1 50 43 parsed_2rre 1
51 "52 ARG O 56 ARG N 3.00 # 2.0" 51 1 51 43 parsed_2rre 1
52 "52 ARG O 56 ARG HN 2.00 # 2.0" 52 1 52 43 parsed_2rre 1
53 2.0 53 38 53 42 parsed_2rre 1
54 2.0 54 38 54 42 parsed_2rre 1
55 2.0 55 38 55 42 parsed_2rre 1
56 2.0 56 38 56 42 parsed_2rre 1
57 2.0 57 38 57 42 parsed_2rre 1
58 2.0 58 38 58 42 parsed_2rre 1
59 2.0 59 38 59 42 parsed_2rre 1
60 2.0 60 38 60 42 parsed_2rre 1
61 2.0 61 38 61 42 parsed_2rre 1
62 2.0 62 38 62 42 parsed_2rre 1
63 2.0 63 38 63 42 parsed_2rre 1
64 2.0 64 38 64 42 parsed_2rre 1
65 2.0 65 38 65 42 parsed_2rre 1
66 2.0 66 38 66 42 parsed_2rre 1
67 "60 GLU O 64 SER N 3.00 # 2.0" 67 1 67 43 parsed_2rre 1
68 "60 GLU O 64 SER HN 2.00 # 2.0" 68 1 68 43 parsed_2rre 1
69 "61 LYS O 65 ILE N 3.00 # 2.0" 69 1 69 43 parsed_2rre 1
70 "61 LYS O 65 ILE HN 2.00 # 2.0" 70 1 70 43 parsed_2rre 1
71 2.0 71 38 71 42 parsed_2rre 1
72 2.0 72 38 72 42 parsed_2rre 1
73 "63 PHE O 67 SER N 3.00 # 2.0" 73 1 73 43 parsed_2rre 1
74 "63 PHE O 67 SER HN 2.00 # 2.0" 74 1 74 43 parsed_2rre 1
75 "64 SER O 68 SER N 3.00 # 2.0" 75 1 75 43 parsed_2rre 1
76 "64 SER O 68 SER HN 2.00 # 2.0" 76 1 76 43 parsed_2rre 1
77 "65 ILE O 69 GLU N 3.00 # 2.0" 77 1 77 43 parsed_2rre 1
78 "65 ILE O 69 GLU HN 2.00 # 2.0" 78 1 78 43 parsed_2rre 1
79 "66 ILE O 70 LYS N 3.00 # 2.0" 79 1 79 43 parsed_2rre 1
80 "66 ILE O 70 LYS HN 2.00 # 2.0" 80 1 80 43 parsed_2rre 1
stop_
save_
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