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 |
|
|
36267 |
1na2   |
5632 | cing | 2-parsed | STAR | dipolar coupling | 24 |
data_1na2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1na2
_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_1na2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1na2
_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 1na2 "Master copy" parsed_1na2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1na2
_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 1na2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . unknown 2 stereochemistry chirality "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 3 planarity "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . unknown 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 5 distance NOE simple 606 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 62 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 7 planarity "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 24 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1na2 1
1 1na2.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1na2 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1na2
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . 36.0 32.4 39.6 . . . 1 . H8 . 1 . C8 parsed_1na2 1
2 . . . . . . . . . . . . . . . . 35.1 31.6 38.6 . . . 2 . H8 . 2 . C8 parsed_1na2 1
3 . . . . . . . . . . . . . . . . 41.8 37.6 46.0 . . . 3 . H8 . 3 . C8 parsed_1na2 1
4 . . . . . . . . . . . . . . . . 43.6 39.3 47.9 . . . 6 . H8 . 6 . C8 parsed_1na2 1
5 . . . . . . . . . . . . . . . . 42.4 38.2 46.6 . . . 7 . H6 . 7 . C6 parsed_1na2 1
6 . . . . . . . . . . . . . . . . 36.7 33.0 40.4 . . . 7 . H5 . 7 . C5 parsed_1na2 1
7 . . . . . . . . . . . . . . . . 21.36 19.26 23.46 . . . 11 . H6 . 11 . C6 parsed_1na2 1
8 . . . . . . . . . . . . . . . . 29.9 26.9 32.9 . . . 14 . H6 . 14 . C6 parsed_1na2 1
9 . . . . . . . . . . . . . . . . 36.7 33.0 40.4 . . . 16 . H6 . 16 . C6 parsed_1na2 1
10 . . . . . . . . . . . . . . . . 18.5 16.6 20.4 . . . 16 . H5 . 16 . C5 parsed_1na2 1
11 . . . . . . . . . . . . . . . . 17.9 16.1 19.7 . . . 17 . H5 . 17 . C5 parsed_1na2 1
12 . . . . . . . . . . . . . . . . 21.4 19.2 23.6 . . . 19 . H2 . 19 . C2 parsed_1na2 1
13 . . . . . . . . . . . . . . . . 35.50 31.90 39.10 . . . 25 . H8 . 25 . C8 parsed_1na2 1
14 . . . . . . . . . . . . . . . . 48.6 43.7 53.5 . . . 25 . H2 . 25 . C2 parsed_1na2 1
15 . . . . . . . . . . . . . . . . 38.6 34.7 42.5 . . . 26 . H8 . 26 . C8 parsed_1na2 1
16 . . . . . . . . . . . . . . . . 11.4 7.9 14.9 . . . 3 . H1 . 3 . N1 parsed_1na2 1
17 . . . . . . . . . . . . . . . . 10.6 7.1 14.1 . . . 5 . H3 . 5 . N3 parsed_1na2 1
18 . . . . . . . . . . . . . . . . 8.8 5.3 12.3 . . . 6 . H1 . 6 . N1 parsed_1na2 1
19 . . . . . . . . . . . . . . . . 12.5 9.0 16.0 . . . 8 . H3 . 8 . N3 parsed_1na2 1
20 . . . . . . . . . . . . . . . . 13.5 10.0 17.0 . . . 9 . H3 . 9 . N3 parsed_1na2 1
21 . . . . . . . . . . . . . . . . 6.1 2.6 9.6 . . . 18 . H1 . 18 . N1 parsed_1na2 1
22 . . . . . . . . . . . . . . . . 13.7 10.2 17.2 . . . 21 . H3 . 21 . N3 parsed_1na2 1
23 . . . . . . . . . . . . . . . . 11.2 7.7 14.7 . . . 23 . H3 . 23 . N3 parsed_1na2 1
24 . . . . . . . . . . . . . . . . 11.0 7.5 14.5 . . . 26 . H1 . 26 . N1 parsed_1na2 1
stop_
save_
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