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 |
|
|
144019 |
2kmj   |
16431 | cing | 2-parsed | STAR | dipolar coupling | 43 |
data_2kmj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kmj
_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_2kmj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kmj
_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 2kmj "Master copy" parsed_2kmj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kmj
_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 2kmj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kmj 1
1 2kmj.mr . . HADDOCK 2 distance NOE ambi 0 parsed_2kmj 1
1 2kmj.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 175 parsed_2kmj 1
1 2kmj.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 60 parsed_2kmj 1
1 2kmj.mr . . XPLOR/CNS 5 distance NOE ambi 465 parsed_2kmj 1
1 2kmj.mr . . XPLOR/CNS 6 planarity "Not applicable" "Not applicable" 0 parsed_2kmj 1
1 2kmj.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2kmj 1
1 2kmj.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kmj 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kmj
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . -34.6 . . . . . 19 . C1' . 19 . H1' parsed_2kmj 1
2 . . . . . . . . . . . . . . . . 18.4 . . . . . 19 . C5 . 19 . H5 parsed_2kmj 1
3 . . . . . . . . . . . . . . . . 18.4 . . . . . 19 . C6 . 19 . H6 parsed_2kmj 1
4 . . . . . . . . . . . . . . . . -23.2 . . . . . 20 . C1' . 20 . H1' parsed_2kmj 1
5 . . . . . . . . . . . . . . . . 18.4 . . . . . 20 . C2 . 20 . H2 parsed_2kmj 1
6 . . . . . . . . . . . . . . . . 21.2 . . . . . 20 . C8 . 20 . H8 parsed_2kmj 1
7 . . . . . . . . . . . . . . . . -19.1 . . . . . 21 . C1' . 21 . H1' parsed_2kmj 1
8 . . . . . . . . . . . . . . . . 18.4 . . . . . 21 . C8 . 21 . H8 parsed_2kmj 1
9 . . . . . . . . . . . . . . . . 3.8 . . . . . 22 . C1' . 22 . H1' parsed_2kmj 1
10 . . . . . . . . . . . . . . . . 23.0 . . . . . 22 . C2 . 22 . H2 parsed_2kmj 1
11 . . . . . . . . . . . . . . . . 20.3 . . . . . 22 . C8 . 22 . H8 parsed_2kmj 1
12 . . . . . . . . . . . . . . . . 9.5 . . . . . 23 . C1' . 23 . H1' parsed_2kmj 1
13 . . . . . . . . . . . . . . . . 15.5 . . . . . 23 . C4' . 23 . H4' parsed_2kmj 1
14 . . . . . . . . . . . . . . . . 17.0 . . . . . 23 . C6 . 23 . H6 parsed_2kmj 1
15 . . . . . . . . . . . . . . . . -14.7 . . . . . 26 . C1' . 26 . H1' parsed_2kmj 1
16 . . . . . . . . . . . . . . . . 20.3 . . . . . 26 . C8 . 26 . H8 parsed_2kmj 1
17 . . . . . . . . . . . . . . . . -8.9 . . . . . 27 . C1' . 27 . H1' parsed_2kmj 1
18 . . . . . . . . . . . . . . . . 22.1 . . . . . 27 . C2 . 27 . H2 parsed_2kmj 1
19 . . . . . . . . . . . . . . . . 20.3 . . . . . 27 . C8 . 27 . H8 parsed_2kmj 1
20 . . . . . . . . . . . . . . . . -9.9 . . . . . 28 . C1' . 28 . H1' parsed_2kmj 1
21 . . . . . . . . . . . . . . . . 18.4 . . . . . 28 . C8 . 28 . H8 parsed_2kmj 1
22 . . . . . . . . . . . . . . . . 18.4 . . . . . 37 . C6 . 37 . H6 parsed_2kmj 1
23 . . . . . . . . . . . . . . . . -14.0 . . . . . 38 . C1' . 38 . H1' parsed_2kmj 1
24 . . . . . . . . . . . . . . . . 12.5 . . . . . 38 . C5 . 38 . H5 parsed_2kmj 1
25 . . . . . . . . . . . . . . . . 21.2 . . . . . 38 . C6 . 38 . H6 parsed_2kmj 1
26 . . . . . . . . . . . . . . . . -27.6 . . . . . 39 . C1' . 39 . H1' parsed_2kmj 1
27 . . . . . . . . . . . . . . . . 19.1 . . . . . 39 . C5 . 39 . H5 parsed_2kmj 1
28 . . . . . . . . . . . . . . . . 15.7 . . . . . 39 . C6 . 39 . H6 parsed_2kmj 1
29 . . . . . . . . . . . . . . . . -15.6 . . . . . 40 . C1' . 40 . H1' parsed_2kmj 1
30 . . . . . . . . . . . . . . . . 13.3 . . . . . 40 . C5 . 40 . H5 parsed_2kmj 1
31 . . . . . . . . . . . . . . . . 19.4 . . . . . 40 . C6 . 40 . H6 parsed_2kmj 1
32 . . . . . . . . . . . . . . . . -7.7 . . . . . 41 . C1' . 41 . H1' parsed_2kmj 1
33 . . . . . . . . . . . . . . . . 3.8 . . . . . 41 . C2' . 41 . H2' parsed_2kmj 1
34 . . . . . . . . . . . . . . . . 18.4 . . . . . 41 . C5 . 41 . H5 parsed_2kmj 1
35 . . . . . . . . . . . . . . . . 21.8 . . . . . 41 . C6 . 41 . H6 parsed_2kmj 1
36 . . . . . . . . . . . . . . . . 0.6 . . . . . 42 . C1' . 42 . H1' parsed_2kmj 1
37 . . . . . . . . . . . . . . . . 22.8 . . . . . 42 . C5 . 42 . H5 parsed_2kmj 1
38 . . . . . . . . . . . . . . . . 18.4 . . . . . 42 . C6 . 42 . H6 parsed_2kmj 1
39 . . . . . . . . . . . . . . . . 0.9 . . . . . 43 . C1' . 43 . H1' parsed_2kmj 1
40 . . . . . . . . . . . . . . . . 19.4 . . . . . 43 . C8 . 43 . H8 parsed_2kmj 1
41 . . . . . . . . . . . . . . . . -4.2 . . . . . 44 . C1' . 44 . H1' parsed_2kmj 1
42 . . . . . . . . . . . . . . . . 22.7 . . . . . 44 . C3' . 44 . H3' parsed_2kmj 1
43 . . . . . . . . . . . . . . . . 18.4 . . . . . 44 . C8 . 44 . H8 parsed_2kmj 1
stop_
save_
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