NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
474943 |
2kwg   |
16852 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 40 |
data_2kwg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kwg
_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_2kwg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kwg
_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 2kwg "Master copy" parsed_2kwg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kwg
_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 2kwg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kwg 1
1 2kwg.mr . . AMBER 2 unknown "Not applicable" "Not applicable" 0 parsed_2kwg 1
1 2kwg.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 216 parsed_2kwg 1
1 2kwg.mr . . AMBER 4 "dipolar coupling" "Not applicable" "Not applicable" 42 parsed_2kwg 1
1 2kwg.mr . . AMBER 5 distance NOE simple 311 parsed_2kwg 1
1 2kwg.mr . . AMBER 6 distance "hydrogen bond" simple 40 parsed_2kwg 1
1 2kwg.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kwg 1
stop_
save_
save_AMBER_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kwg
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_2kwg 1
2 1 . . . parsed_2kwg 1
3 1 . . . parsed_2kwg 1
4 1 . . . parsed_2kwg 1
5 1 . . . parsed_2kwg 1
6 1 . . . parsed_2kwg 1
7 1 . . . parsed_2kwg 1
8 1 . . . parsed_2kwg 1
9 1 . . . parsed_2kwg 1
10 1 . . . parsed_2kwg 1
11 1 . . . parsed_2kwg 1
12 1 . . . parsed_2kwg 1
13 1 . . . parsed_2kwg 1
14 1 . . . parsed_2kwg 1
15 1 . . . parsed_2kwg 1
16 1 . . . parsed_2kwg 1
17 1 . . . parsed_2kwg 1
18 1 . . . parsed_2kwg 1
19 1 . . . parsed_2kwg 1
20 1 . . . parsed_2kwg 1
21 1 . . . parsed_2kwg 1
22 1 . . . parsed_2kwg 1
23 1 . . . parsed_2kwg 1
24 1 . . . parsed_2kwg 1
25 1 . . . parsed_2kwg 1
26 1 . . . parsed_2kwg 1
27 1 . . . parsed_2kwg 1
28 1 . . . parsed_2kwg 1
29 1 . . . parsed_2kwg 1
30 1 . . . parsed_2kwg 1
31 1 . . . parsed_2kwg 1
32 1 . . . parsed_2kwg 1
33 1 . . . parsed_2kwg 1
34 1 . . . parsed_2kwg 1
35 1 . . . parsed_2kwg 1
36 1 . . . parsed_2kwg 1
37 1 . . . parsed_2kwg 1
38 1 . . . parsed_2kwg 1
39 1 . . . parsed_2kwg 1
40 1 . . . parsed_2kwg 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 . . . . . . . . 2kwg_ambr001 1 FG5 H1 parsed_2kwg 1
1 1 2 . . . . . . . . 2kwg_ambr001 40 MC N3 parsed_2kwg 1
2 1 1 . . . . . . . . 2kwg_ambr001 1 FG5 H21 parsed_2kwg 1
2 1 2 . . . . . . . . 2kwg_ambr001 40 MC O2 parsed_2kwg 1
3 1 1 . . . . . . . . 2kwg_ambr001 1 FG5 O6 parsed_2kwg 1
3 1 2 . . . . . . . . 2kwg_ambr001 40 MC H41 parsed_2kwg 1
4 1 1 . . . . . . . . 2kwg_ambr001 2 MG H1 parsed_2kwg 1
4 1 2 . . . . . . . . 2kwg_ambr001 39 FC N3 parsed_2kwg 1
5 1 1 . . . . . . . . 2kwg_ambr001 2 MG H21 parsed_2kwg 1
5 1 2 . . . . . . . . 2kwg_ambr001 39 FC O2 parsed_2kwg 1
6 1 1 . . . . . . . . 2kwg_ambr001 2 MG O6 parsed_2kwg 1
6 1 2 . . . . . . . . 2kwg_ambr001 39 FC H41 parsed_2kwg 1
7 1 1 . . . . . . . . 2kwg_ambr001 3 FG H1 parsed_2kwg 1
7 1 2 . . . . . . . . 2kwg_ambr001 38 MC N3 parsed_2kwg 1
8 1 1 . . . . . . . . 2kwg_ambr001 3 FG H21 parsed_2kwg 1
8 1 2 . . . . . . . . 2kwg_ambr001 38 MC O2 parsed_2kwg 1
9 1 1 . . . . . . . . 2kwg_ambr001 3 FG O6 parsed_2kwg 1
9 1 2 . . . . . . . . 2kwg_ambr001 38 MC H41 parsed_2kwg 1
10 1 1 . . . . . . . . 2kwg_ambr001 4 MU H3 parsed_2kwg 1
10 1 2 . . . . . . . . 2kwg_ambr001 37 FA N1 parsed_2kwg 1
11 1 1 . . . . . . . . 2kwg_ambr001 4 MU O4 parsed_2kwg 1
11 1 2 . . . . . . . . 2kwg_ambr001 37 FA H61 parsed_2kwg 1
12 1 1 . . . . . . . . 2kwg_ambr001 5 FA N1 parsed_2kwg 1
12 1 2 . . . . . . . . 2kwg_ambr001 36 MU H3 parsed_2kwg 1
13 1 1 . . . . . . . . 2kwg_ambr001 5 FA H61 parsed_2kwg 1
13 1 2 . . . . . . . . 2kwg_ambr001 36 MU O4 parsed_2kwg 1
14 1 1 . . . . . . . . 2kwg_ambr001 6 MA N1 parsed_2kwg 1
14 1 2 . . . . . . . . 2kwg_ambr001 35 FU H3 parsed_2kwg 1
15 1 1 . . . . . . . . 2kwg_ambr001 6 MA H61 parsed_2kwg 1
15 1 2 . . . . . . . . 2kwg_ambr001 35 FU O4 parsed_2kwg 1
16 1 1 . . . . . . . . 2kwg_ambr001 7 FA N1 parsed_2kwg 1
16 1 2 . . . . . . . . 2kwg_ambr001 34 MU H3 parsed_2kwg 1
17 1 1 . . . . . . . . 2kwg_ambr001 7 FA H61 parsed_2kwg 1
17 1 2 . . . . . . . . 2kwg_ambr001 34 MU O4 parsed_2kwg 1
18 1 1 . . . . . . . . 2kwg_ambr001 8 MU H3 parsed_2kwg 1
18 1 2 . . . . . . . . 2kwg_ambr001 33 FA N1 parsed_2kwg 1
19 1 1 . . . . . . . . 2kwg_ambr001 8 MU O4 parsed_2kwg 1
19 1 2 . . . . . . . . 2kwg_ambr001 33 FA H61 parsed_2kwg 1
20 1 1 . . . . . . . . 2kwg_ambr001 9 FA N1 parsed_2kwg 1
20 1 2 . . . . . . . . 2kwg_ambr001 32 MU H3 parsed_2kwg 1
21 1 1 . . . . . . . . 2kwg_ambr001 9 FA H61 parsed_2kwg 1
21 1 2 . . . . . . . . 2kwg_ambr001 32 MU O4 parsed_2kwg 1
22 1 1 . . . . . . . . 2kwg_ambr001 10 MC N3 parsed_2kwg 1
22 1 2 . . . . . . . . 2kwg_ambr001 31 FG H1 parsed_2kwg 1
23 1 1 . . . . . . . . 2kwg_ambr001 10 MC O2 parsed_2kwg 1
23 1 2 . . . . . . . . 2kwg_ambr001 31 FG H21 parsed_2kwg 1
24 1 1 . . . . . . . . 2kwg_ambr001 10 MC H41 parsed_2kwg 1
24 1 2 . . . . . . . . 2kwg_ambr001 31 FG O6 parsed_2kwg 1
25 1 1 . . . . . . . . 2kwg_ambr001 11 FA N1 parsed_2kwg 1
25 1 2 . . . . . . . . 2kwg_ambr001 30 MU H3 parsed_2kwg 1
26 1 1 . . . . . . . . 2kwg_ambr001 11 FA H61 parsed_2kwg 1
26 1 2 . . . . . . . . 2kwg_ambr001 30 MU O4 parsed_2kwg 1
27 1 1 . . . . . . . . 2kwg_ambr001 12 MU H3 parsed_2kwg 1
27 1 2 . . . . . . . . 2kwg_ambr001 29 FA N1 parsed_2kwg 1
28 1 1 . . . . . . . . 2kwg_ambr001 12 MU O4 parsed_2kwg 1
28 1 2 . . . . . . . . 2kwg_ambr001 29 FA H61 parsed_2kwg 1
29 1 1 . . . . . . . . 2kwg_ambr001 13 FU H3 parsed_2kwg 1
29 1 2 . . . . . . . . 2kwg_ambr001 28 MA N1 parsed_2kwg 1
30 1 1 . . . . . . . . 2kwg_ambr001 13 FU O4 parsed_2kwg 1
30 1 2 . . . . . . . . 2kwg_ambr001 28 MA H61 parsed_2kwg 1
31 1 1 . . . . . . . . 2kwg_ambr001 14 MC N3 parsed_2kwg 1
31 1 2 . . . . . . . . 2kwg_ambr001 27 FG H1 parsed_2kwg 1
32 1 1 . . . . . . . . 2kwg_ambr001 14 MC O2 parsed_2kwg 1
32 1 2 . . . . . . . . 2kwg_ambr001 27 FG H21 parsed_2kwg 1
33 1 1 . . . . . . . . 2kwg_ambr001 14 MC H41 parsed_2kwg 1
33 1 2 . . . . . . . . 2kwg_ambr001 27 FG O6 parsed_2kwg 1
34 1 1 . . . . . . . . 2kwg_ambr001 15 FU H3 parsed_2kwg 1
34 1 2 . . . . . . . . 2kwg_ambr001 26 MA N1 parsed_2kwg 1
35 1 1 . . . . . . . . 2kwg_ambr001 15 FU O4 parsed_2kwg 1
35 1 2 . . . . . . . . 2kwg_ambr001 26 MA H61 parsed_2kwg 1
36 1 1 . . . . . . . . 2kwg_ambr001 16 MU H3 parsed_2kwg 1
36 1 2 . . . . . . . . 2kwg_ambr001 25 FA N1 parsed_2kwg 1
37 1 1 . . . . . . . . 2kwg_ambr001 16 MU O4 parsed_2kwg 1
37 1 2 . . . . . . . . 2kwg_ambr001 25 FA H61 parsed_2kwg 1
38 1 1 . . . . . . . . 2kwg_ambr001 17 FC N3 parsed_2kwg 1
38 1 2 . . . . . . . . 2kwg_ambr001 24 MG H1 parsed_2kwg 1
39 1 1 . . . . . . . . 2kwg_ambr001 17 FC O2 parsed_2kwg 1
39 1 2 . . . . . . . . 2kwg_ambr001 24 MG H21 parsed_2kwg 1
40 1 1 . . . . . . . . 2kwg_ambr001 17 FC H41 parsed_2kwg 1
40 1 2 . . . . . . . . 2kwg_ambr001 24 MG O6 parsed_2kwg 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 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
2 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
3 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
4 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
5 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
6 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
7 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
8 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
9 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
10 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
11 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
12 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
13 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
14 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
15 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
16 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
17 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
18 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
19 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
20 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
21 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
22 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
23 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
24 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
25 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
26 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
27 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
28 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
29 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
30 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
31 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
32 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
33 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
34 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
35 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
36 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
37 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
38 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
39 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 1
40 1 . . . . . 2.10 1.60 2.60 parsed_2kwg 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 "1 FG5 H1 40 MC N3 1.6 2.1 (#G1-C40)" 1 1 1 56 parsed_2kwg 1
2 "1 FG5 H21 40 MC O2 1.6 2.1 (#G1-C40)" 6 1 7 56 parsed_2kwg 1
3 "1 FG5 O6 40 MC H41 1.6 2.1 (#G1-C40 )" 10 1 11 58 parsed_2kwg 1
4 "2 MG H1 39 FC N3 1.6 2.1 (#G2-C39)" 14 1 15 56 parsed_2kwg 1
5 "2 MG H21 39 FC O2 1.6 2.1 (#G2-C39)" 18 1 19 56 parsed_2kwg 1
6 "2 MG O6 39 FC H41 1.6 2.1 (#G2-C39)" 22 1 23 56 parsed_2kwg 1
7 "3 FG H1 38 MC N3 1.6 2.1 (#G3-C38)" 26 1 27 56 parsed_2kwg 1
8 "3 FG H21 38 MC O2 1.6 2.1 (#G3-C38)" 30 1 31 56 parsed_2kwg 1
9 "3 FG O6 38 MC H41 1.6 2.1 (#G3-C38 )" 34 1 35 58 parsed_2kwg 1
10 "4 MU H3 37 FA N1 1.6 2.1 (#U4-A37)" 38 1 39 56 parsed_2kwg 1
11 "4 MU O4 37 FA H61 1.6 2.1 (#U4-A37)" 42 1 43 56 parsed_2kwg 1
12 "5 FA N1 36 MU H3 1.6 2.1 (#A5-U36)" 46 1 47 56 parsed_2kwg 1
13 "5 FA H61 36 MU O4 1.6 2.1 (#A5-U36 )" 50 1 51 58 parsed_2kwg 1
14 "6 MA N1 35 FU H3 1.6 2.1 (#A6-U35)" 54 1 55 56 parsed_2kwg 1
15 "6 MA H61 35 FU O4 1.6 2.1 (#A6-U35 )" 58 1 59 58 parsed_2kwg 1
16 "7 FA N1 34 MU H3 1.6 2.1 (#A7-U34)" 62 1 63 56 parsed_2kwg 1
17 "7 FA H61 34 MU O4 1.6 2.1 (#A7-U34 )" 66 1 67 58 parsed_2kwg 1
18 "8 MU H3 33 FA N1 1.6 2.1 (#U8-A33)" 70 1 71 56 parsed_2kwg 1
19 "8 MU O4 33 FA H61 1.6 2.1 (#U8-A33)" 74 1 75 56 parsed_2kwg 1
20 "9 FA N1 32 MU H3 1.6 2.1 (#A9-U32)" 78 1 79 56 parsed_2kwg 1
21 "9 FA H61 32 MU O4 1.6 2.1 (#A9-U32 )" 82 1 83 57 parsed_2kwg 1
22 "10 MC N3 31 FG H1 1.6 2.1 (#C10-G31)" 86 1 87 57 parsed_2kwg 1
23 "10 MC O2 31 FG H21 1.6 2.1 (#C10-G31)" 90 1 91 57 parsed_2kwg 1
24 "10 MC H41 31 FG O6 1.6 2.1 (#C10-G31)" 94 1 95 57 parsed_2kwg 1
25 "11 FA N1 30 MU H3 1.6 2.1 (#A11-U30)" 98 1 99 57 parsed_2kwg 1
26 "11 FA H61 30 MU O4 1.6 2.1 (#A11-U30 )" 102 1 103 59 parsed_2kwg 1
27 "12 MU H3 29 FA N1 1.6 2.1 (#U12-A29)" 106 1 107 57 parsed_2kwg 1
28 "12 MU O4 29 FA H61 1.6 2.1 (#U12-A29)" 110 1 111 57 parsed_2kwg 1
29 "13 FU H3 28 MA N1 1.6 2.1 (#U13-A28)" 114 1 115 57 parsed_2kwg 1
30 "13 FU O4 28 MA H61 1.6 2.1 (#U13-A28)" 118 1 119 57 parsed_2kwg 1
31 "14 MC N3 27 FG H1 1.6 2.1 (#C14-G27)" 122 1 123 57 parsed_2kwg 1
32 "14 MC O2 27 FG H21 1.6 2.1 (#C14-G27)" 126 1 127 57 parsed_2kwg 1
33 "14 MC H41 27 FG O6 1.6 2.1 (#C14-G27)" 130 1 131 57 parsed_2kwg 1
34 "15 FU H3 26 MA N1 1.6 2.1 (#U15-A26)" 134 1 135 57 parsed_2kwg 1
35 "15 FU O4 26 MA H61 1.6 2.1 (#U15-A26)" 138 1 139 57 parsed_2kwg 1
36 "16 MU H3 25 FA N1 1.6 2.1 (#U16-A25)" 142 1 143 57 parsed_2kwg 1
37 "16 MU O4 25 FA H61 1.6 2.1 (#U16-A25)" 146 1 147 57 parsed_2kwg 1
38 "17 FC N3 24 MG H1 1.6 2.1 (#C17-G24)" 150 1 151 57 parsed_2kwg 1
39 "17 FC O2 24 MG H21 1.6 2.1 (#C17-G24)" 154 1 155 57 parsed_2kwg 1
40 "17 FC H41 24 MG O6 1.6 2.1 (#C17-G24)" 158 1 159 57 parsed_2kwg 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 2, 2024 5:55:26 AM GMT (wattos1)