NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
39016 |
1sjg   |
4992 | cing | 2-parsed | STAR | distance | general distance | simple | 42 |
data_1sjg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1sjg
_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_1sjg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1sjg
_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 1sjg "Master copy" parsed_1sjg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1sjg
_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 1sjg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1sjg 1
1 1sjg.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1sjg 1
1 1sjg.mr . . DYANA/DIANA 3 coordinate ensemble "Not applicable" 0 parsed_1sjg 1
1 1sjg.mr . . DYANA/DIANA 4 distance NOE simple 1690 parsed_1sjg 1
1 1sjg.mr . . DYANA/DIANA 5 distance "general distance" simple 42 parsed_1sjg 1
1 1sjg.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1sjg 1
stop_
save_
save_DYANA/DIANA_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1sjg
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_1sjg 1
2 1 . . . parsed_1sjg 1
3 1 . . . parsed_1sjg 1
4 1 . . . parsed_1sjg 1
5 1 . . . parsed_1sjg 1
6 1 . . . parsed_1sjg 1
7 1 . . . parsed_1sjg 1
8 1 . . . parsed_1sjg 1
9 1 . . . parsed_1sjg 1
10 1 . . . parsed_1sjg 1
11 1 . . . parsed_1sjg 1
12 1 . . . parsed_1sjg 1
13 1 . . . parsed_1sjg 1
14 1 . . . parsed_1sjg 1
15 1 . . . parsed_1sjg 1
16 1 . . . parsed_1sjg 1
17 1 . . . parsed_1sjg 1
18 1 . . . parsed_1sjg 1
19 1 . . . parsed_1sjg 1
20 1 . . . parsed_1sjg 1
21 1 . . . parsed_1sjg 1
22 1 . . . parsed_1sjg 1
23 1 . . . parsed_1sjg 1
24 1 . . . parsed_1sjg 1
25 1 . . . parsed_1sjg 1
26 1 . . . parsed_1sjg 1
27 1 . . . parsed_1sjg 1
28 1 . . . parsed_1sjg 1
29 1 . . . parsed_1sjg 1
30 1 . . . parsed_1sjg 1
31 1 . . . parsed_1sjg 1
32 1 . . . parsed_1sjg 1
33 1 . . . parsed_1sjg 1
34 1 . . . parsed_1sjg 1
35 1 . . . parsed_1sjg 1
36 1 . . . parsed_1sjg 1
37 1 . . . parsed_1sjg 1
38 1 . . . parsed_1sjg 1
39 1 . . . parsed_1sjg 1
40 1 . . . parsed_1sjg 1
41 1 . . . parsed_1sjg 1
42 1 . . . parsed_1sjg 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 . . . . . . . . . 64 CYSS SG parsed_1sjg 1
1 1 2 . . . . . . . . . 45 CYF FE parsed_1sjg 1
2 1 1 . . . . . . . . . 64 CYSS SG parsed_1sjg 1
2 1 2 . . . . . . . . . 45 CYF SG parsed_1sjg 1
3 1 1 . . . . . . . . . 64 CYSS SG parsed_1sjg 1
3 1 2 . . . . . . . . . 45 CYF SE parsed_1sjg 1
4 1 1 . . . . . . . . . 64 CYSS SG parsed_1sjg 1
4 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
5 1 1 . . . . . . . . . 45 CYF SG parsed_1sjg 1
5 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
6 1 1 . . . . . . . . . 67 HIF FE parsed_1sjg 1
6 1 2 . . . . . . . . . 45 CYF FE parsed_1sjg 1
7 1 1 . . . . . . . . . 45 CYF SE parsed_1sjg 1
7 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
8 1 1 . . . . . . . . . 67 HIF ND1 parsed_1sjg 1
8 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
9 1 1 . . . . . . . . . 67 HIF ND1 parsed_1sjg 1
9 1 2 . . . . . . . . . 45 CYF SE parsed_1sjg 1
10 1 1 . . . . . . . . . 47 HIST ND1 parsed_1sjg 1
10 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
11 1 1 . . . . . . . . . 47 HIST ND1 parsed_1sjg 1
11 1 2 . . . . . . . . . 45 CYF SE parsed_1sjg 1
12 1 1 . . . . . . . . . 47 HIST ND1 parsed_1sjg 1
12 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
13 1 1 . . . . . . . . . 47 HIST CE1 parsed_1sjg 1
13 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
14 1 1 . . . . . . . . . 47 HIST CD2 parsed_1sjg 1
14 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
15 1 1 . . . . . . . . . 47 HIST NE2 parsed_1sjg 1
15 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
16 1 1 . . . . . . . . . 47 HIST CG parsed_1sjg 1
16 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
17 1 1 . . . . . . . . . 47 HIST ND1 parsed_1sjg 1
17 1 2 . . . . . . . . . 67 HIF ND1 parsed_1sjg 1
18 1 1 . . . . . . . . . 45 CYF SE parsed_1sjg 1
18 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
19 1 1 . . . . . . . . . 45 CYF FE parsed_1sjg 1
19 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
20 1 1 . . . . . . . . . 47 HIST ND1 parsed_1sjg 1
20 1 2 . . . . . . . . . 45 CYF SG parsed_1sjg 1
21 1 1 . . . . . . . . . 67 HIF ND1 parsed_1sjg 1
21 1 2 . . . . . . . . . 64 CYF SG parsed_1sjg 1
22 1 1 . . . . . . . . . 64 CYSS SG parsed_1sjg 1
22 1 2 . . . . . . . . . 45 CYF FE parsed_1sjg 1
23 1 1 . . . . . . . . . 64 CYSS SG parsed_1sjg 1
23 1 2 . . . . . . . . . 45 CYF SG parsed_1sjg 1
24 1 1 . . . . . . . . . 64 CYSS SG parsed_1sjg 1
24 1 2 . . . . . . . . . 45 CYF SE parsed_1sjg 1
25 1 1 . . . . . . . . . 64 CYSS SG parsed_1sjg 1
25 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
26 1 1 . . . . . . . . . 45 CYF SG parsed_1sjg 1
26 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
27 1 1 . . . . . . . . . 67 HIF FE parsed_1sjg 1
27 1 2 . . . . . . . . . 45 CYF FE parsed_1sjg 1
28 1 1 . . . . . . . . . 45 CYF SE parsed_1sjg 1
28 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
29 1 1 . . . . . . . . . 67 HIF ND1 parsed_1sjg 1
29 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
30 1 1 . . . . . . . . . 67 HIF ND1 parsed_1sjg 1
30 1 2 . . . . . . . . . 45 CYF SE parsed_1sjg 1
31 1 1 . . . . . . . . . 47 HIST ND1 parsed_1sjg 1
31 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
32 1 1 . . . . . . . . . 47 HIST ND1 parsed_1sjg 1
32 1 2 . . . . . . . . . 45 CYF SE parsed_1sjg 1
33 1 1 . . . . . . . . . 47 HIST ND1 parsed_1sjg 1
33 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
34 1 1 . . . . . . . . . 47 HIST CE1 parsed_1sjg 1
34 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
35 1 1 . . . . . . . . . 47 HIST CD2 parsed_1sjg 1
35 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
36 1 1 . . . . . . . . . 47 HIST NE2 parsed_1sjg 1
36 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
37 1 1 . . . . . . . . . 47 HIST CG parsed_1sjg 1
37 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
38 1 1 . . . . . . . . . 47 HIST ND1 parsed_1sjg 1
38 1 2 . . . . . . . . . 67 HIF ND1 parsed_1sjg 1
39 1 1 . . . . . . . . . 45 CYF SE parsed_1sjg 1
39 1 2 . . . . . . . . . 67 HIF FE parsed_1sjg 1
40 1 1 . . . . . . . . . 45 CYF FE parsed_1sjg 1
40 1 2 . . . . . . . . . 67 HIF SE parsed_1sjg 1
41 1 1 . . . . . . . . . 47 HIST ND1 parsed_1sjg 1
41 1 2 . . . . . . . . . 45 CYF SG parsed_1sjg 1
42 1 1 . . . . . . . . . 67 HIF ND1 parsed_1sjg 1
42 1 2 . . . . . . . . . 64 CYF SG parsed_1sjg 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 . . . . . . . 2.24 parsed_1sjg 1
2 1 . . . . . . . 3.81 parsed_1sjg 1
3 1 . . . . . . . 3.63 parsed_1sjg 1
4 1 . . . . . . . 3.75 parsed_1sjg 1
5 1 . . . . . . . 3.46 parsed_1sjg 1
6 1 . . . . . . . 2.59 parsed_1sjg 1
7 1 . . . . . . . 3.53 parsed_1sjg 1
8 1 . . . . . . . 3.46 parsed_1sjg 1
9 1 . . . . . . . 3.42 parsed_1sjg 1
10 1 . . . . . . . 3.54 parsed_1sjg 1
11 1 . . . . . . . 3.46 parsed_1sjg 1
12 1 . . . . . . . 2.08 parsed_1sjg 1
13 1 . . . . . . . 3.14 parsed_1sjg 1
14 1 . . . . . . . 4.23 parsed_1sjg 1
15 1 . . . . . . . 4.27 parsed_1sjg 1
16 1 . . . . . . . 3.02 parsed_1sjg 1
17 1 . . . . . . . 3.46 parsed_1sjg 1
18 1 . . . . . . . 2.19 parsed_1sjg 1
19 1 . . . . . . . 2.19 parsed_1sjg 1
20 1 . . . . . . . 4.80 parsed_1sjg 1
21 1 . . . . . . . 4.80 parsed_1sjg 1
22 1 . . . . . . . 2.26 parsed_1sjg 1
23 1 . . . . . . . 3.83 parsed_1sjg 1
24 1 . . . . . . . 3.65 parsed_1sjg 1
25 1 . . . . . . . 3.77 parsed_1sjg 1
26 1 . . . . . . . 3.48 parsed_1sjg 1
27 1 . . . . . . . 2.61 parsed_1sjg 1
28 1 . . . . . . . 3.55 parsed_1sjg 1
29 1 . . . . . . . 3.48 parsed_1sjg 1
30 1 . . . . . . . 3.44 parsed_1sjg 1
31 1 . . . . . . . 3.56 parsed_1sjg 1
32 1 . . . . . . . 3.48 parsed_1sjg 1
33 1 . . . . . . . 2.10 parsed_1sjg 1
34 1 . . . . . . . 3.16 parsed_1sjg 1
35 1 . . . . . . . 4.25 parsed_1sjg 1
36 1 . . . . . . . 4.29 parsed_1sjg 1
37 1 . . . . . . . 3.04 parsed_1sjg 1
38 1 . . . . . . . 3.50 parsed_1sjg 1
39 1 . . . . . . . 2.21 parsed_1sjg 1
40 1 . . . . . . . 2.21 parsed_1sjg 1
41 1 . . . . . . . 5.20 parsed_1sjg 1
42 1 . . . . . . . 5.20 parsed_1sjg 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 "45 CYF SG 45 CYF SE 3.63 10.0" 6 1 6 41 parsed_1sjg 1
2 "81 PRO CD 45 CYF SE 4.50 10.0" 20 1 20 41 parsed_1sjg 1
3 "45 CYF SG 47 HIST HN 2.30" 28 1 28 36 parsed_1sjg 1
4 "45 CYF SG 47 HIST N 3.20" 29 1 29 36 parsed_1sjg 1
5 "64 CYSS SG 66 ALA HN 2.30" 30 1 30 36 parsed_1sjg 1
6 "64 CYSS SG 66 ALA N 3.20" 31 1 31 36 parsed_1sjg 1
7 "LINK FE2 FES 1001 SG CYS 64" 33 1 33 78 parsed_1sjg 1
8 "LINK FE2 FES 1001 ND1 HIS 47" 34 1 34 78 parsed_1sjg 1
9 "LINK FE2 FES 1001 SG CYF 45" 35 1 35 78 parsed_1sjg 1
10 "LINK FE2 FES 1001 ND1 HIF 67" 36 1 36 78 parsed_1sjg 1
11 "HETATM 1761 FE1 FES 1001 18.386 4.106 32.759 1.00 8.84 FE" 39 1 39 81 parsed_1sjg 1
12 "HETATM 1762 FE2 FES 1001 17.031 6.140 31.688 1.00 9.24 FE" 40 1 40 81 parsed_1sjg 1
13 "HETATM 1763 S1 FES 1001 19.177 5.836 31.692 1.00 8.87 S" 41 1 41 81 parsed_1sjg 1
14 "HETATM 1764 S2 FES 1001 16.206 4.437 32.851 1.00 9.55 S" 42 1 42 81 parsed_1sjg 1
15 "45 CYF SG 45 CYF SE 3.65 10.0" 54 1 54 41 parsed_1sjg 1
16 "81 PRO CD 45 CYF SE 4.50 10.0" 68 1 68 41 parsed_1sjg 1
17 "45 CYF SG 47 HIST HN 2.50" 75 1 75 37 parsed_1sjg 1
18 "45 CYF SG 47 HIST N 3.50" 76 1 76 37 parsed_1sjg 1
19 "64 CYSS SG 66 ALA HN 2.70" 77 1 77 37 parsed_1sjg 1
20 "64 CYSS SG 66 ALA N 3.50" 78 1 78 37 parsed_1sjg 1
21 "LINK FE2 FES 1001 SG CYS 64" 80 1 80 78 parsed_1sjg 1
22 "LINK FE2 FES 1001 ND1 HIS 47" 81 1 81 78 parsed_1sjg 1
23 "LINK FE2 FES 1001 SG CYF 45" 82 1 82 78 parsed_1sjg 1
24 "LINK FE2 FES 1001 ND1 HIF 67" 83 1 83 78 parsed_1sjg 1
25 "HETATM 1761 FE1 FES 1001 18.386 4.106 32.759 1.00 8.84 FE" 86 1 86 81 parsed_1sjg 1
26 "HETATM 1762 FE2 FES 1001 17.031 6.140 31.688 1.00 9.24 FE" 87 1 87 81 parsed_1sjg 1
27 "HETATM 1763 S1 FES 1001 19.177 5.836 31.692 1.00 8.87 S" 88 1 88 81 parsed_1sjg 1
28 "HETATM 1764 S2 FES 1001 16.206 4.437 32.851 1.00 9.55 S" 89 1 89 81 parsed_1sjg 1
stop_
save_
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