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 |
|
|
651061 |
6pqt   |
30633 | cing | 2-parsed | STAR | dipolar coupling | 17 |
data_6pqt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6pqt
_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_6pqt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6pqt
_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 6pqt "Master copy" parsed_6pqt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6pqt
_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 6pqt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6pqt 1
1 6pqt.mr . . XPLOR/CNS 2 distance NOE ambi 853 parsed_6pqt 1
1 6pqt.mr . . XPLOR/CNS 3 "coupling constant" "Not applicable" "Not applicable" 0 parsed_6pqt 1
1 6pqt.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 17 parsed_6pqt 1
1 6pqt.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6pqt 1
1 6pqt.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6pqt 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6pqt
_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 . . . . . . . . . . . . . . . . -20.997 . . . . . 5 . HN . 5 . N parsed_6pqt 1
2 . . . . . . . . . . . . . . . . -21.611 . . . . . 6 . HN . 6 . N parsed_6pqt 1
3 . . . . . . . . . . . . . . . . -22.059 . . . . . 7 . HN . 7 . N parsed_6pqt 1
4 . . . . . . . . . . . . . . . . -25.103 . . . . . 8 . HN . 8 . N parsed_6pqt 1
5 . . . . . . . . . . . . . . . . -28.963 . . . . . 9 . HN . 9 . N parsed_6pqt 1
6 . . . . . . . . . . . . . . . . -28.864 . . . . . 10 . HN . 10 . N parsed_6pqt 1
7 . . . . . . . . . . . . . . . . -21.672 . . . . . 12 . HN . 12 . N parsed_6pqt 1
8 . . . . . . . . . . . . . . . . -32.385 . . . . . 17 . HN . 17 . N parsed_6pqt 1
9 . . . . . . . . . . . . . . . . -31.186 . . . . . 18 . HN . 18 . N parsed_6pqt 1
10 . . . . . . . . . . . . . . . . -28.497 . . . . . 21 . HN . 21 . N parsed_6pqt 1
11 . . . . . . . . . . . . . . . . -29.714 . . . . . 22 . HN . 22 . N parsed_6pqt 1
12 . . . . . . . . . . . . . . . . -32.510 . . . . . 23 . HN . 23 . N parsed_6pqt 1
13 . . . . . . . . . . . . . . . . -25.733 . . . . . 24 . HN . 24 . N parsed_6pqt 1
14 . . . . . . . . . . . . . . . . -29.548 . . . . . 25 . HN . 25 . N parsed_6pqt 1
15 . . . . . . . . . . . . . . . . -25.500 . . . . . 26 . HN . 26 . N parsed_6pqt 1
16 . . . . . . . . . . . . . . . . -24.330 . . . . . 27 . HN . 27 . N parsed_6pqt 1
17 . . . . . . . . . . . . . . . . -20.460 . . . . . 28 . HN . 28 . N parsed_6pqt 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 "# Restraints file 4: RDC-SANI-20190611-nodynamicresidues.tbl" 1 1 1 60 parsed_6pqt 1
stop_
save_
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