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 |
|
|
463120 |
2kg4   |
15855 | cing | 2-parsed | STAR | dipolar coupling | 42 |
data_2kg4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kg4
_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_2kg4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kg4
_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 2kg4 "Master copy" parsed_2kg4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kg4
_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 2kg4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kg4 1
1 2kg4.mr . . DYANA/DIANA 2 "dihedral combo" ambi "Not applicable" 0 parsed_2kg4 1
1 2kg4.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 858 parsed_2kg4 1
1 2kg4.mr . . DYANA/DIANA 4 "dipolar coupling" "Not applicable" "Not applicable" 42 parsed_2kg4 1
1 2kg4.mr . . DYANA/DIANA 5 distance "general distance" simple 0 parsed_2kg4 1
1 2kg4.mr . . DYANA/DIANA 6 distance "hydrogen bond" simple 0 parsed_2kg4 1
1 2kg4.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kg4 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kg4
_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 . . . . . . . . . . . . . . . . -4.600 . . 1.000 . . 20 GLY HN . 20 GLY N parsed_2kg4 1
2 . . . . . . . . . . . . . . . . -4.600 . . 1.000 . . 21 ASP HN . 21 ASP N parsed_2kg4 1
3 . . . . . . . . . . . . . . . . -3.200 . . 1.000 . . 22 ALA HN . 22 ALA N parsed_2kg4 1
4 . . . . . . . . . . . . . . . . 2.600 . . 1.000 . . 23 LEU HN . 23 LEU N parsed_2kg4 1
5 . . . . . . . . . . . . . . . . -1.400 . . 1.000 . . 25 GLU HN . 25 GLU N parsed_2kg4 1
6 . . . . . . . . . . . . . . . . -0.800 . . 1.000 . . 27 LEU HN . 27 LEU N parsed_2kg4 1
7 . . . . . . . . . . . . . . . . -4.800 . . 1.000 . . 28 SER HN . 28 SER N parsed_2kg4 1
8 . . . . . . . . . . . . . . . . -0.800 . . 1.000 . . 30 ALA HN . 30 ALA N parsed_2kg4 1
9 . . . . . . . . . . . . . . . . -3.300 . . 1.000 . . 31 LEU HN . 31 LEU N parsed_2kg4 1
10 . . . . . . . . . . . . . . . . -4.800 . . 1.000 . . 32 SER HN . 32 SER N parsed_2kg4 1
11 . . . . . . . . . . . . . . . . -1.300 . . 1.000 . . 34 ARG HN . 34 ARG N parsed_2kg4 1
12 . . . . . . . . . . . . . . . . -5.100 . . 1.000 . . 35 THR HN . 35 THR N parsed_2kg4 1
13 . . . . . . . . . . . . . . . . -2.400 . . 1.000 . . 40 VAL HN . 40 VAL N parsed_2kg4 1
14 . . . . . . . . . . . . . . . . -2.800 . . 1.000 . . 49 VAL HN . 49 VAL N parsed_2kg4 1
15 . . . . . . . . . . . . . . . . -4.200 . . 1.000 . . 52 ASP HN . 52 ASP N parsed_2kg4 1
16 . . . . . . . . . . . . . . . . -0.700 . . 1.000 . . 54 VAL HN . 54 VAL N parsed_2kg4 1
17 . . . . . . . . . . . . . . . . -4.300 . . 1.000 . . 60 ALA HN . 60 ALA N parsed_2kg4 1
18 . . . . . . . . . . . . . . . . 2.000 . . 1.000 . . 73 ILE HN . 73 ILE N parsed_2kg4 1
19 . . . . . . . . . . . . . . . . 2.700 . . 1.000 . . 74 HIS HN . 74 HIS N parsed_2kg4 1
20 . . . . . . . . . . . . . . . . 2.100 . . 1.000 . . 77 LEU HN . 77 LEU N parsed_2kg4 1
21 . . . . . . . . . . . . . . . . 1.600 . . 1.000 . . 81 PHE HN . 81 PHE N parsed_2kg4 1
22 . . . . . . . . . . . . . . . . 2.600 . . 1.000 . . 82 CYS HN . 82 CYS N parsed_2kg4 1
23 . . . . . . . . . . . . . . . . 0.200 . . 1.000 . . 84 GLU HN . 84 GLU N parsed_2kg4 1
24 . . . . . . . . . . . . . . . . -5.700 . . 1.000 . . 89 ILE HN . 89 ILE N parsed_2kg4 1
25 . . . . . . . . . . . . . . . . -5.100 . . 1.000 . . 91 ARG HN . 91 ARG N parsed_2kg4 1
26 . . . . . . . . . . . . . . . . -1.500 . . 1.000 . . 97 ARG HN . 97 ARG N parsed_2kg4 1
27 . . . . . . . . . . . . . . . . 5.600 . . 1.000 . . 98 LEU HN . 98 LEU N parsed_2kg4 1
28 . . . . . . . . . . . . . . . . 6.200 . . 1.000 . . 99 ALA HN . 99 ALA N parsed_2kg4 1
29 . . . . . . . . . . . . . . . . 1.100 . . 1.000 . . 100 GLU HN . 100 GLU N parsed_2kg4 1
30 . . . . . . . . . . . . . . . . 4.700 . . 1.000 . . 102 LEU HN . 102 LEU N parsed_2kg4 1
31 . . . . . . . . . . . . . . . . -3.500 . . 1.000 . . 123 HIS HN . 123 HIS N parsed_2kg4 1
32 . . . . . . . . . . . . . . . . -2.100 . . 1.000 . . 125 VAL HN . 125 VAL N parsed_2kg4 1
33 . . . . . . . . . . . . . . . . 0.200 . . 1.000 . . 129 ASN HN . 129 ASN N parsed_2kg4 1
34 . . . . . . . . . . . . . . . . -0.600 . . 1.000 . . 139 ALA HN . 139 ALA N parsed_2kg4 1
35 . . . . . . . . . . . . . . . . -1.500 . . 1.000 . . 142 GLN HN . 142 GLN N parsed_2kg4 1
36 . . . . . . . . . . . . . . . . 2.700 . . 1.000 . . 143 LEU HN . 143 LEU N parsed_2kg4 1
37 . . . . . . . . . . . . . . . . 5.600 . . 1.000 . . 144 ILE HN . 144 ILE N parsed_2kg4 1
38 . . . . . . . . . . . . . . . . 0.100 . . 1.000 . . 146 PHE HN . 146 PHE N parsed_2kg4 1
39 . . . . . . . . . . . . . . . . 2.000 . . 1.000 . . 147 CYS HN . 147 CYS N parsed_2kg4 1
40 . . . . . . . . . . . . . . . . 5.200 . . 1.000 . . 148 ARG HN . 148 ARG N parsed_2kg4 1
41 . . . . . . . . . . . . . . . . -1.700 . . 1.000 . . 149 GLU HN . 149 GLU N parsed_2kg4 1
42 . . . . . . . . . . . . . . . . -1.500 . . 1.000 . . 150 SER HN . 150 SER N parsed_2kg4 1
stop_
save_
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