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 |
|
|
53352 |
2qh2   |
7403 | cing | 2-parsed | STAR | dipolar coupling | 19 |
data_2qh2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2qh2
_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_2qh2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2qh2
_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 2qh2 "Master copy" parsed_2qh2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2qh2
_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 2qh2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2qh2 1
1 2qh2.mr . . XPLOR/CNS 2 distance NOE simple 527 parsed_2qh2 1
1 2qh2.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 48 parsed_2qh2 1
1 2qh2.mr . . XPLOR/CNS 4 planarity "Not applicable" "Not applicable" 0 parsed_2qh2 1
1 2qh2.mr . . XPLOR/CNS 5 stereochemistry chirality "Not applicable" 0 parsed_2qh2 1
1 2qh2.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 172 parsed_2qh2 1
1 2qh2.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 19 parsed_2qh2 1
1 2qh2.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2qh2 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2qh2
_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 . . . . . . . . . . . . . . . . 9.9 7.9 11.9 . . . 1 . H8 . 1 . C8 parsed_2qh2 1
2 . . . . . . . . . . . . . . . . 3.0 1.0 5.0 . . . 2 . H8 . 2 . C8 parsed_2qh2 1
3 . . . . . . . . . . . . . . . . 0.2 -1.8 2.2 . . . 3 . H2 . 3 . C2 parsed_2qh2 1
4 . . . . . . . . . . . . . . . . 4.3 2.3 6.3 . . . 3 . H8 . 3 . C8 parsed_2qh2 1
5 . . . . . . . . . . . . . . . . 11.6 9.6 13.6 . . . 4 . H8 . 4 . C8 parsed_2qh2 1
6 . . . . . . . . . . . . . . . . 10.0 8.0 12.0 . . . 5 . H5 . 5 . C5 parsed_2qh2 1
7 . . . . . . . . . . . . . . . . -1.6 -3.6 0.4 . . . 7 . H6 . 7 . C6 parsed_2qh2 1
8 . . . . . . . . . . . . . . . . 9.6 7.6 11.6 . . . 9 . H5 . 9 . C5 parsed_2qh2 1
9 . . . . . . . . . . . . . . . . 3.6 1.6 5.6 . . . 10 . H8 . 10 . C8 parsed_2qh2 1
10 . . . . . . . . . . . . . . . . 0.0 -2.0 2.0 . . . 11 . H8 . 11 . C8 parsed_2qh2 1
11 . . . . . . . . . . . . . . . . 5.6 3.6 7.6 . . . 13 . H5 . 13 . C5 parsed_2qh2 1
12 . . . . . . . . . . . . . . . . -2.6 -4.6 -0.6 . . . 14 . H5 . 14 . C5 parsed_2qh2 1
13 . . . . . . . . . . . . . . . . 0.0 -2.0 2.0 . . . 16 . H6 . 16 . C6 parsed_2qh2 1
14 . . . . . . . . . . . . . . . . 12.5 10.5 14.5 . . . 16 . H5 . 16 . C5 parsed_2qh2 1
15 . . . . . . . . . . . . . . . . 7.5 5.5 9.5 . . . 18 . H8 . 18 . C8 parsed_2qh2 1
16 . . . . . . . . . . . . . . . . 13.5 11.5 15.5 . . . 20 . H2 . 20 . C2 parsed_2qh2 1
17 . . . . . . . . . . . . . . . . 19.2 17.2 21.2 . . . 20 . H8 . 20 . C8 parsed_2qh2 1
18 . . . . . . . . . . . . . . . . 16.6 14.6 18.6 . . . 22 . H5 . 22 . C5 parsed_2qh2 1
19 . . . . . . . . . . . . . . . . 18.7 16.7 20.7 . . . 23 . H5 . 23 . C5 parsed_2qh2 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 "residual dipolar couplings" 1 1 1 28 parsed_2qh2 1
stop_
save_
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