NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
574710 |
2mj5   |
cing | 2-parsed | STAR | dipolar coupling | 56 |
data_2mj5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mj5
_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_2mj5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mj5
_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 2mj5 "Master copy" parsed_2mj5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mj5
_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 2mj5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mj5 1
1 2mj5.mr . . XPLOR/CNS 2 distance NOE simple 18 parsed_2mj5 1
1 2mj5.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 56 parsed_2mj5 1
1 2mj5.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mj5 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mj5
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . -1.247 . . . . A 2 . N A 2 . HN parsed_2mj5 1
2 . . . . . . . . . . . . . . . . 13.457 . . . . A 4 . N A 4 . HN parsed_2mj5 1
3 . . . . . . . . . . . . . . . . 8.371 . . . . A 5 . N A 5 . HN parsed_2mj5 1
4 . . . . . . . . . . . . . . . . -4.636 . . . . A 7 . N A 7 . HN parsed_2mj5 1
5 . . . . . . . . . . . . . . . . -10.939 . . . . A 10 . N A 10 . HN parsed_2mj5 1
6 . . . . . . . . . . . . . . . . -4.271 . . . . A 11 . N A 11 . HN parsed_2mj5 1
7 . . . . . . . . . . . . . . . . -7.611 . . . . A 12 . N A 12 . HN parsed_2mj5 1
8 . . . . . . . . . . . . . . . . 7.392 . . . . A 13 . N A 13 . HN parsed_2mj5 1
9 . . . . . . . . . . . . . . . . 7.836 . . . . A 14 . N A 14 . HN parsed_2mj5 1
10 . . . . . . . . . . . . . . . . 13.299 . . . . A 15 . N A 15 . HN parsed_2mj5 1
11 . . . . . . . . . . . . . . . . 5.926 . . . . A 16 . N A 16 . HN parsed_2mj5 1
12 . . . . . . . . . . . . . . . . 0.103 . . . . A 23 . N A 23 . HN parsed_2mj5 1
13 . . . . . . . . . . . . . . . . -1.217 . . . . A 25 . N A 25 . HN parsed_2mj5 1
14 . . . . . . . . . . . . . . . . 0.341 . . . . A 26 . N A 26 . HN parsed_2mj5 1
15 . . . . . . . . . . . . . . . . -9.612 . . . . A 27 . N A 27 . HN parsed_2mj5 1
16 . . . . . . . . . . . . . . . . -8.456 . . . . A 28 . N A 28 . HN parsed_2mj5 1
17 . . . . . . . . . . . . . . . . 3.973 . . . . A 29 . N A 29 . HN parsed_2mj5 1
18 . . . . . . . . . . . . . . . . -9.716 . . . . A 31 . N A 31 . HN parsed_2mj5 1
19 . . . . . . . . . . . . . . . . -5.348 . . . . A 32 . N A 32 . HN parsed_2mj5 1
20 . . . . . . . . . . . . . . . . 3.492 . . . . A 33 . N A 33 . HN parsed_2mj5 1
21 . . . . . . . . . . . . . . . . 15.118 . . . . A 39 . N A 39 . HN parsed_2mj5 1
22 . . . . . . . . . . . . . . . . -18.124 . . . . A 42 . N A 42 . HN parsed_2mj5 1
23 . . . . . . . . . . . . . . . . -18.069 . . . . A 43 . N A 43 . HN parsed_2mj5 1
24 . . . . . . . . . . . . . . . . -9.856 . . . . A 44 . N A 44 . HN parsed_2mj5 1
25 . . . . . . . . . . . . . . . . 19.322 . . . . A 56 . N A 56 . HN parsed_2mj5 1
26 . . . . . . . . . . . . . . . . 12.691 . . . . A 58 . N A 58 . HN parsed_2mj5 1
27 . . . . . . . . . . . . . . . . 16.061 . . . . A 66 . N A 66 . HN parsed_2mj5 1
28 . . . . . . . . . . . . . . . . 14.771 . . . . A 67 . N A 67 . HN parsed_2mj5 1
29 . . . . . . . . . . . . . . . . -16.949 . . . . A 70 . N A 70 . HN parsed_2mj5 1
30 . . . . . . . . . . . . . . . . -7.945 . . . . B 10 . N B 10 . HN parsed_2mj5 1
31 . . . . . . . . . . . . . . . . -15.301 . . . . B 11 . N B 11 . HN parsed_2mj5 1
32 . . . . . . . . . . . . . . . . -9.679 . . . . B 12 . N B 12 . HN parsed_2mj5 1
33 . . . . . . . . . . . . . . . . -6.437 . . . . B 13 . N B 13 . HN parsed_2mj5 1
34 . . . . . . . . . . . . . . . . -13.470 . . . . B 14 . N B 14 . HN parsed_2mj5 1
35 . . . . . . . . . . . . . . . . -13.354 . . . . B 15 . N B 15 . HN parsed_2mj5 1
36 . . . . . . . . . . . . . . . . -8.578 . . . . B 17 . N B 17 . HN parsed_2mj5 1
37 . . . . . . . . . . . . . . . . -15.623 . . . . B 18 . N B 18 . HN parsed_2mj5 1
38 . . . . . . . . . . . . . . . . -3.005 . . . . B 20 . N B 20 . HN parsed_2mj5 1
39 . . . . . . . . . . . . . . . . 2.914 . . . . B 25 . N B 25 . HN parsed_2mj5 1
40 . . . . . . . . . . . . . . . . -3.084 . . . . B 26 . N B 26 . HN parsed_2mj5 1
41 . . . . . . . . . . . . . . . . -2.166 . . . . B 27 . N B 27 . HN parsed_2mj5 1
42 . . . . . . . . . . . . . . . . 1.600 . . . . B 28 . N B 28 . HN parsed_2mj5 1
43 . . . . . . . . . . . . . . . . 5.932 . . . . B 29 . N B 29 . HN parsed_2mj5 1
44 . . . . . . . . . . . . . . . . -2.227 . . . . B 30 . N B 30 . HN parsed_2mj5 1
45 . . . . . . . . . . . . . . . . -2.519 . . . . B 31 . N B 31 . HN parsed_2mj5 1
46 . . . . . . . . . . . . . . . . 4.046 . . . . B 32 . N B 32 . HN parsed_2mj5 1
47 . . . . . . . . . . . . . . . . 5.214 . . . . B 33 . N B 33 . HN parsed_2mj5 1
48 . . . . . . . . . . . . . . . . -10.130 . . . . B 39 . N B 39 . HN parsed_2mj5 1
49 . . . . . . . . . . . . . . . . -15.654 . . . . B 41 . N B 41 . HN parsed_2mj5 1
50 . . . . . . . . . . . . . . . . -9.874 . . . . B 42 . N B 42 . HN parsed_2mj5 1
51 . . . . . . . . . . . . . . . . -2.896 . . . . B 43 . N B 43 . HN parsed_2mj5 1
52 . . . . . . . . . . . . . . . . -9.393 . . . . B 44 . N B 44 . HN parsed_2mj5 1
53 . . . . . . . . . . . . . . . . -16.925 . . . . B 45 . N B 45 . HN parsed_2mj5 1
54 . . . . . . . . . . . . . . . . -8.310 . . . . B 46 . N B 46 . HN parsed_2mj5 1
55 . . . . . . . . . . . . . . . . -1.533 . . . . B 47 . N B 47 . HN parsed_2mj5 1
56 . . . . . . . . . . . . . . . . -11.139 . . . . B 49 . N B 49 . HN parsed_2mj5 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 "#" 393 1 393 1 parsed_2mj5 1
stop_
save_
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