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 | item_count |
|
|
587294 |
2mwx   |
25376 | cing | 2-parsed | STAR | dipolar coupling | 31 |
data_2mwx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mwx
_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_2mwx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mwx
_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 2mwx "Master copy" parsed_2mwx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mwx
_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 2mwx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mwx 1
1 2mwx.mr . . DYANA/DIANA 2 distance NOE simple 685 parsed_2mwx 1
1 2mwx.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 11 parsed_2mwx 1
1 2mwx.mr . . DYANA/DIANA 4 "dipolar coupling" "Not applicable" "Not applicable" 31 parsed_2mwx 1
1 2mwx.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mwx 1
1 2mwx.mr . . DYANA/DIANA 6 distance "general distance" simple 0 parsed_2mwx 1
1 2mwx.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mwx 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mwx
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 0.349 . . 2.000 . . 49 GLU N . 49 GLU H parsed_2mwx 1
2 . . . . . . . . . . . . . . . . -0.213 . . 2.000 . . 50 GLU N . 50 GLU H parsed_2mwx 1
3 . . . . . . . . . . . . . . . . 4.052 . . 2.000 . . 51 GLU N . 51 GLU H parsed_2mwx 1
4 . . . . . . . . . . . . . . . . 0.322 . . 2.000 . . 53 GLN N . 53 GLN H parsed_2mwx 1
5 . . . . . . . . . . . . . . . . 3.572 . . 2.000 . . 54 PHE N . 54 PHE H parsed_2mwx 1
6 . . . . . . . . . . . . . . . . 0.794 . . 2.000 . . 57 CYSS N . 57 CYSS H parsed_2mwx 1
7 . . . . . . . . . . . . . . . . 4.078 . . 2.000 . . 58 GLN N . 58 GLN H parsed_2mwx 1
8 . . . . . . . . . . . . . . . . 1.416 . . 2.000 . . 59 GLN N . 59 GLN H parsed_2mwx 1
9 . . . . . . . . . . . . . . . . -11.12 . . 2.000 . . 62 ALA N . 62 ALA H parsed_2mwx 1
10 . . . . . . . . . . . . . . . . 2.186 . . 2.000 . . 63 GLU N . 63 GLU H parsed_2mwx 1
11 . . . . . . . . . . . . . . . . 5.076 . . 2.000 . . 64 ALA N . 64 ALA H parsed_2mwx 1
12 . . . . . . . . . . . . . . . . 3.246 . . 2.000 . . 68 LYS N . 68 LYS H parsed_2mwx 1
13 . . . . . . . . . . . . . . . . 2.754 . . 2.000 . . 72 CYSS N . 72 CYSS H parsed_2mwx 1
14 . . . . . . . . . . . . . . . . 8.013 . . 2.000 . . 73 LEU N . 73 LEU H parsed_2mwx 1
15 . . . . . . . . . . . . . . . . 6.336 . . 2.000 . . 75 THR N . 75 THR H parsed_2mwx 1
16 . . . . . . . . . . . . . . . . 1.898 . . 2.000 . . 77 CYSS N . 77 CYSS H parsed_2mwx 1
17 . . . . . . . . . . . . . . . . -13.161 . . 2.000 . . 78 SER N . 78 SER H parsed_2mwx 1
18 . . . . . . . . . . . . . . . . -17.654 . . 2.000 . . 79 GLY N . 79 GLY H parsed_2mwx 1
19 . . . . . . . . . . . . . . . . -7.706 . . 2.000 . . 80 CYSS N . 80 CYSS H parsed_2mwx 1
20 . . . . . . . . . . . . . . . . -15.119 . . 2.000 . . 82 GLU N . 82 GLU H parsed_2mwx 1
21 . . . . . . . . . . . . . . . . -11.664 . . 2.000 . . 84 SER N . 84 SER H parsed_2mwx 1
22 . . . . . . . . . . . . . . . . 3.947 . . 2.000 . . 85 GLY N . 85 GLY H parsed_2mwx 1
23 . . . . . . . . . . . . . . . . -20.062 . . 2.000 . . 86 MET N . 86 MET H parsed_2mwx 1
24 . . . . . . . . . . . . . . . . 3.569 . . 2.000 . . 87 GLN N . 87 GLN H parsed_2mwx 1
25 . . . . . . . . . . . . . . . . 3.712 . . 2.000 . . 88 CYSS N . 88 CYSS H parsed_2mwx 1
26 . . . . . . . . . . . . . . . . 9.96 . . 2.000 . . 95 TRP N . 95 TRP H parsed_2mwx 1
27 . . . . . . . . . . . . . . . . 4.252 . . 2.000 . . 98 GLY N . 98 GLY H parsed_2mwx 1
28 . . . . . . . . . . . . . . . . -0.578 . . 2.000 . . 99 ALA N . 99 ALA H parsed_2mwx 1
29 . . . . . . . . . . . . . . . . 5.412 . . 2.000 . . 100 ASP N . 100 ASP H parsed_2mwx 1
30 . . . . . . . . . . . . . . . . 1.12 . . 2.000 . . 101 THR N . 101 THR H parsed_2mwx 1
31 . . . . . . . . . . . . . . . . 1.884 . . 2.000 . . 103 ALA N . 103 ALA H parsed_2mwx 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "First atom Second atom RDC Error Weight Tensor" 1 1 1 60 parsed_2mwx 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 1 2 54 2 55 parsed_2mwx 1
2 1 3 52 3 53 parsed_2mwx 1
3 1 4 52 4 53 parsed_2mwx 1
4 1 5 52 5 53 parsed_2mwx 1
5 1 6 52 6 53 parsed_2mwx 1
6 1 7 54 7 55 parsed_2mwx 1
7 1 8 52 8 53 parsed_2mwx 1
8 1 9 52 9 53 parsed_2mwx 1
9 1 10 52 10 53 parsed_2mwx 1
10 1 11 52 11 53 parsed_2mwx 1
11 1 12 52 12 53 parsed_2mwx 1
12 1 13 52 13 53 parsed_2mwx 1
13 1 14 54 14 55 parsed_2mwx 1
14 1 15 52 15 53 parsed_2mwx 1
15 1 16 52 16 53 parsed_2mwx 1
16 1 17 54 17 55 parsed_2mwx 1
17 1 18 52 18 53 parsed_2mwx 1
18 1 19 52 19 53 parsed_2mwx 1
19 1 20 54 20 55 parsed_2mwx 1
20 1 21 52 21 53 parsed_2mwx 1
21 1 22 52 22 53 parsed_2mwx 1
22 1 23 52 23 53 parsed_2mwx 1
23 1 24 52 24 53 parsed_2mwx 1
24 1 25 52 25 53 parsed_2mwx 1
25 1 26 54 26 55 parsed_2mwx 1
26 1 27 52 27 53 parsed_2mwx 1
27 1 28 52 28 53 parsed_2mwx 1
28 1 29 52 29 53 parsed_2mwx 1
29 1 30 52 30 53 parsed_2mwx 1
30 1 31 52 31 53 parsed_2mwx 1
31 1 32 52 32 53 parsed_2mwx 1
stop_
save_
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