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 |
|
|
628964 |
5w9f   |
30312 | cing | 2-parsed | STAR | dihedral angle | 36 |
data_5w9f_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5w9f
_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_5w9f 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5w9f
_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 5w9f "Master copy" parsed_5w9f
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5w9f
_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 5w9f.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5w9f 1
1 5w9f.mr . . XPLOR/CNS 2 distance NOE simple 1000 parsed_5w9f 1
1 5w9f.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_5w9f 1
1 5w9f.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5w9f 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5w9f
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.3 -53.1 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5w9f 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.8 -27.8 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5w9f 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.5 -56.5 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5w9f 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.6 -28.6 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5w9f 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.9 -56.9 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5w9f 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.6 -26.6 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5w9f 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.7 -55.7 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5w9f 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -29.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5w9f 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.1 -54.1 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5w9f 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -31.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5w9f 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.3 -53.3 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5w9f 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.9 -31.9 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5w9f 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.4 -55.4 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5w9f 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.2 -31.2 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5w9f 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.9 -58.9 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5w9f 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.3 -26.3 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5w9f 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -53.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5w9f 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.2 -32.2 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5w9f 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.1 -57.7 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5w9f 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.4 -22.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5w9f 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -86.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5w9f 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.9 143.3 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_5w9f 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.8 -90.8 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5w9f 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.4 139.0 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5w9f 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -59.8 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_5w9f 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 167.4 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_5w9f 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.1 -93.9 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_5w9f 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.5 145.3 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_5w9f 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.4 -88.6 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_5w9f 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.6 140.4 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_5w9f 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.5 -102.9 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_5w9f 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.3 137.5 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_5w9f 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.9 -104.3 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_5w9f 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.6 155.0 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_5w9f 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.2 -91.4 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_5w9f 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.3 142.5 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_5w9f 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 2: HEEE_02_dihe.tbl" 1 1 1 37 parsed_5w9f 1
stop_
save_
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