NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
|
|
32589 |
1gd3   |
4827 | cing | recoord | 2-parsed | STAR | distance | hydrogen bond | simple | 46 |
data_1gd3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1gd3
_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_1gd3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1gd3
_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 1gd3 "Master copy" parsed_1gd3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1gd3
_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 1gd3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1gd3 1
1 1gd3.mr . . XPLOR/CNS 2 distance NOE simple 1800 parsed_1gd3 1
1 1gd3.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 46 parsed_1gd3 1
1 1gd3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1gd3 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1gd3
_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_1gd3 1
2 1 . . . parsed_1gd3 1
3 1 . . . parsed_1gd3 1
4 1 . . . parsed_1gd3 1
5 1 . . . parsed_1gd3 1
6 1 . . . parsed_1gd3 1
7 1 . . . parsed_1gd3 1
8 1 . . . parsed_1gd3 1
9 1 . . . parsed_1gd3 1
10 1 . . . parsed_1gd3 1
11 1 . . . parsed_1gd3 1
12 1 . . . parsed_1gd3 1
13 1 . . . parsed_1gd3 1
14 1 . . . parsed_1gd3 1
15 1 . . . parsed_1gd3 1
16 1 . . . parsed_1gd3 1
17 1 . . . parsed_1gd3 1
18 1 . . . parsed_1gd3 1
19 1 . . . parsed_1gd3 1
20 1 . . . parsed_1gd3 1
21 1 . . . parsed_1gd3 1
22 1 . . . parsed_1gd3 1
23 1 . . . parsed_1gd3 1
24 1 . . . parsed_1gd3 1
25 1 . . . parsed_1gd3 1
26 1 . . . parsed_1gd3 1
27 1 . . . parsed_1gd3 1
28 1 . . . parsed_1gd3 1
29 1 . . . parsed_1gd3 1
30 1 . . . parsed_1gd3 1
31 1 . . . parsed_1gd3 1
32 1 . . . parsed_1gd3 1
33 1 . . . parsed_1gd3 1
34 1 . . . parsed_1gd3 1
35 1 . . . parsed_1gd3 1
36 1 . . . parsed_1gd3 1
37 1 . . . parsed_1gd3 1
38 1 . . . parsed_1gd3 1
39 1 . . . parsed_1gd3 1
40 1 . . . parsed_1gd3 1
41 1 . . . parsed_1gd3 1
42 1 . . . parsed_1gd3 1
43 1 . . . parsed_1gd3 1
44 1 . . . parsed_1gd3 1
45 1 . . . parsed_1gd3 1
46 1 . . . parsed_1gd3 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 . . . . . . . . . 10 . N parsed_1gd3 1
1 1 2 . . . . . . . . . 43 . O parsed_1gd3 1
2 1 1 . . . . . . . . . 10 . HN parsed_1gd3 1
2 1 2 . . . . . . . . . 43 . O parsed_1gd3 1
3 1 1 . . . . . . . . . 18 . N parsed_1gd3 1
3 1 2 . . . . . . . . . 14 . O parsed_1gd3 1
4 1 1 . . . . . . . . . 18 . HN parsed_1gd3 1
4 1 2 . . . . . . . . . 14 . O parsed_1gd3 1
5 1 1 . . . . . . . . . 19 . N parsed_1gd3 1
5 1 2 . . . . . . . . . 15 . O parsed_1gd3 1
6 1 1 . . . . . . . . . 19 . HN parsed_1gd3 1
6 1 2 . . . . . . . . . 15 . O parsed_1gd3 1
7 1 1 . . . . . . . . . 20 . N parsed_1gd3 1
7 1 2 . . . . . . . . . 16 . O parsed_1gd3 1
8 1 1 . . . . . . . . . 20 . HN parsed_1gd3 1
8 1 2 . . . . . . . . . 16 . O parsed_1gd3 1
9 1 1 . . . . . . . . . 21 . N parsed_1gd3 1
9 1 2 . . . . . . . . . 17 . O parsed_1gd3 1
10 1 1 . . . . . . . . . 21 . HN parsed_1gd3 1
10 1 2 . . . . . . . . . 17 . O parsed_1gd3 1
11 1 1 . . . . . . . . . 22 . N parsed_1gd3 1
11 1 2 . . . . . . . . . 18 . O parsed_1gd3 1
12 1 1 . . . . . . . . . 22 . HN parsed_1gd3 1
12 1 2 . . . . . . . . . 18 . O parsed_1gd3 1
13 1 1 . . . . . . . . . 43 . N parsed_1gd3 1
13 1 2 . . . . . . . . . 10 . O parsed_1gd3 1
14 1 1 . . . . . . . . . 43 . HN parsed_1gd3 1
14 1 2 . . . . . . . . . 10 . O parsed_1gd3 1
15 1 1 . . . . . . . . . 44 . N parsed_1gd3 1
15 1 2 . . . . . . . . . 54 . O parsed_1gd3 1
16 1 1 . . . . . . . . . 44 . HN parsed_1gd3 1
16 1 2 . . . . . . . . . 54 . O parsed_1gd3 1
17 1 1 . . . . . . . . . 53 . N parsed_1gd3 1
17 1 2 . . . . . . . . . 69 . O parsed_1gd3 1
18 1 1 . . . . . . . . . 53 . HN parsed_1gd3 1
18 1 2 . . . . . . . . . 69 . O parsed_1gd3 1
19 1 1 . . . . . . . . . 54 . N parsed_1gd3 1
19 1 2 . . . . . . . . . 44 . O parsed_1gd3 1
20 1 1 . . . . . . . . . 54 . HN parsed_1gd3 1
20 1 2 . . . . . . . . . 44 . O parsed_1gd3 1
21 1 1 . . . . . . . . . 55 . N parsed_1gd3 1
21 1 2 . . . . . . . . . 67 . O parsed_1gd3 1
22 1 1 . . . . . . . . . 55 . HN parsed_1gd3 1
22 1 2 . . . . . . . . . 67 . O parsed_1gd3 1
23 1 1 . . . . . . . . . 56 . N parsed_1gd3 1
23 1 2 . . . . . . . . . 42 . O parsed_1gd3 1
24 1 1 . . . . . . . . . 56 . HN parsed_1gd3 1
24 1 2 . . . . . . . . . 42 . O parsed_1gd3 1
25 1 1 . . . . . . . . . 57 . N parsed_1gd3 1
25 1 2 . . . . . . . . . 65 . O parsed_1gd3 1
26 1 1 . . . . . . . . . 57 . HN parsed_1gd3 1
26 1 2 . . . . . . . . . 65 . O parsed_1gd3 1
27 1 1 . . . . . . . . . 65 . N parsed_1gd3 1
27 1 2 . . . . . . . . . 57 . O parsed_1gd3 1
28 1 1 . . . . . . . . . 65 . HN parsed_1gd3 1
28 1 2 . . . . . . . . . 57 . O parsed_1gd3 1
29 1 1 . . . . . . . . . 66 . N parsed_1gd3 1
29 1 2 . . . . . . . . . 86 . O parsed_1gd3 1
30 1 1 . . . . . . . . . 66 . HN parsed_1gd3 1
30 1 2 . . . . . . . . . 86 . O parsed_1gd3 1
31 1 1 . . . . . . . . . 67 . N parsed_1gd3 1
31 1 2 . . . . . . . . . 55 . O parsed_1gd3 1
32 1 1 . . . . . . . . . 67 . HN parsed_1gd3 1
32 1 2 . . . . . . . . . 55 . O parsed_1gd3 1
33 1 1 . . . . . . . . . 68 . N parsed_1gd3 1
33 1 2 . . . . . . . . . 84 . O parsed_1gd3 1
34 1 1 . . . . . . . . . 68 . HN parsed_1gd3 1
34 1 2 . . . . . . . . . 84 . O parsed_1gd3 1
35 1 1 . . . . . . . . . 69 . N parsed_1gd3 1
35 1 2 . . . . . . . . . 53 . O parsed_1gd3 1
36 1 1 . . . . . . . . . 69 . HN parsed_1gd3 1
36 1 2 . . . . . . . . . 53 . O parsed_1gd3 1
37 1 1 . . . . . . . . . 70 . N parsed_1gd3 1
37 1 2 . . . . . . . . . 81 . O parsed_1gd3 1
38 1 1 . . . . . . . . . 70 . HN parsed_1gd3 1
38 1 2 . . . . . . . . . 81 . O parsed_1gd3 1
39 1 1 . . . . . . . . . 71 . N parsed_1gd3 1
39 1 2 . . . . . . . . . 51 . O parsed_1gd3 1
40 1 1 . . . . . . . . . 71 . HN parsed_1gd3 1
40 1 2 . . . . . . . . . 51 . O parsed_1gd3 1
41 1 1 . . . . . . . . . 81 . N parsed_1gd3 1
41 1 2 . . . . . . . . . 70 . O parsed_1gd3 1
42 1 1 . . . . . . . . . 81 . HN parsed_1gd3 1
42 1 2 . . . . . . . . . 70 . O parsed_1gd3 1
43 1 1 . . . . . . . . . 70 . N parsed_1gd3 1
43 1 2 . . . . . . . . . 81 . O parsed_1gd3 1
44 1 1 . . . . . . . . . 70 . HN parsed_1gd3 1
44 1 2 . . . . . . . . . 81 . O parsed_1gd3 1
45 1 1 . . . . . . . . . 86 . N parsed_1gd3 1
45 1 2 . . . . . . . . . 66 . O parsed_1gd3 1
46 1 1 . . . . . . . . . 86 . HN parsed_1gd3 1
46 1 2 . . . . . . . . . 66 . O parsed_1gd3 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 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
2 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
3 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
4 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
5 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
6 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
7 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
8 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
9 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
10 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
11 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
12 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
13 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
14 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
15 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
16 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
17 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
18 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
19 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
20 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
21 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
22 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
23 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
24 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
25 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
26 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
27 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
28 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
29 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
30 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
31 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
32 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
33 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
34 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
35 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
36 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
37 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
38 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
39 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
40 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
41 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
42 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
43 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
44 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 1
45 1 . . . . . 3.3 2.5 3.5 parsed_1gd3 1
46 1 . . . . . 2.3 1.5 2.5 parsed_1gd3 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 "hydrogen bondings" 1 1 1 21 parsed_1gd3 1
2 "K10 Y43" 3 76 3 90 parsed_1gd3 1
3 "K10 Y43" 4 76 4 90 parsed_1gd3 1
4 "E18 P14" 5 76 5 90 parsed_1gd3 1
5 "E18 P14" 6 76 6 90 parsed_1gd3 1
6 "I19 E15" 7 76 7 90 parsed_1gd3 1
7 "I19 E15" 8 76 8 90 parsed_1gd3 1
8 "V20 I16" 9 76 9 90 parsed_1gd3 1
9 "V20 I16" 10 76 10 90 parsed_1gd3 1
10 "D21 Q17" 11 76 11 90 parsed_1gd3 1
11 "D21 Q17" 12 76 12 90 parsed_1gd3 1
12 "K22 E18" 13 76 13 90 parsed_1gd3 1
13 "K22 E18" 14 76 14 90 parsed_1gd3 1
14 "Y43 K10" 15 76 15 90 parsed_1gd3 1
15 "Y43 K10" 16 76 16 90 parsed_1gd3 1
16 "K44 Y54" 17 76 17 90 parsed_1gd3 1
17 "K44 Y54" 18 76 18 90 parsed_1gd3 1
18 "Y53 V69" 19 76 19 90 parsed_1gd3 1
19 "Y53 V69" 20 76 20 90 parsed_1gd3 1
20 "Y54 K44" 21 76 21 90 parsed_1gd3 1
21 "Y54 K44" 22 76 22 90 parsed_1gd3 1
22 "I55 L67" 23 76 23 90 parsed_1gd3 1
23 "I55 L67" 24 76 24 90 parsed_1gd3 1
24 "K56 Q42" 25 76 25 90 parsed_1gd3 1
25 "K56 Q42" 26 76 26 90 parsed_1gd3 1
26 "V57 L65" 27 76 27 90 parsed_1gd3 1
27 "V57 L65" 28 76 28 90 parsed_1gd3 1
28 "L65 V57" 29 76 29 90 parsed_1gd3 1
29 "L65 V57" 30 76 30 90 parsed_1gd3 1
30 "H66 Q86" 31 76 31 90 parsed_1gd3 1
31 "H66 Q86" 32 76 32 90 parsed_1gd3 1
32 "L67 I55" 33 76 33 90 parsed_1gd3 1
33 "L67 I55" 34 76 34 90 parsed_1gd3 1
34 "K68 G84" 35 76 35 90 parsed_1gd3 1
35 "K68 G84" 36 76 36 90 parsed_1gd3 1
36 "V69 Y53" 37 76 37 90 parsed_1gd3 1
37 "V69 Y53" 38 76 38 90 parsed_1gd3 1
38 "F70 V81" 39 76 39 90 parsed_1gd3 1
39 "F70 V81" 40 76 40 90 parsed_1gd3 1
40 "K71 T51" 41 76 41 90 parsed_1gd3 1
41 "K71 T51" 42 76 42 90 parsed_1gd3 1
42 "V81 F70" 43 76 43 90 parsed_1gd3 1
43 "V81 F70" 44 76 44 90 parsed_1gd3 1
44 "F70 V81" 45 76 45 90 parsed_1gd3 1
45 "F70 V81" 46 76 46 90 parsed_1gd3 1
46 "Q86 H66" 47 76 47 90 parsed_1gd3 1
47 "Q86 H66" 48 76 48 90 parsed_1gd3 1
stop_
save_
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