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 |
|
|
31477 |
1ee7   |
4604 | cing | 2-parsed | STAR | dihedral angle | 47 |
data_1ee7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ee7
_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_1ee7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ee7
_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 1ee7 "Master copy" parsed_1ee7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ee7
_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 1ee7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ee7 1
1 1ee7.mr . . DYANA/DIANA 2 distance NOE simple 339 parsed_1ee7 1
1 1ee7.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_1ee7 1
1 1ee7.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ee7 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ee7
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 -45.0 . . 2 PHE . . . . . . . . . . . . . parsed_1ee7 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 195.0 . . 2 PHE . . . . . . . . . . . . . parsed_1ee7 1
3 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -335.0 -5.0 . . 2 PHE . . . . . . . . . . . . . parsed_1ee7 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 85.0 . . 2 PHE . . . . . . . . . . . . . parsed_1ee7 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -45.0 . . 3 AIB . . . . . . . . . . . . . parsed_1ee7 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 3 AIB . . . . . . . . . . . . . parsed_1ee7 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 4 SER . . . . . . . . . . . . . parsed_1ee7 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.0 5.0 . . 4 SER . . . . . . . . . . . . . parsed_1ee7 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -75.0 . . 5 AIB . . . . . . . . . . . . . parsed_1ee7 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -25.0 . . 5 AIB . . . . . . . . . . . . . parsed_1ee7 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -65.0 . . 6 DIV . . . . . . . . . . . . . parsed_1ee7 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -45.0 . . 6 DIV . . . . . . . . . . . . . parsed_1ee7 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -45.0 . . 7 LEU . . . . . . . . . . . . . parsed_1ee7 1
14 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 7 LEU . . . . . . . . . . . . . parsed_1ee7 1
15 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -335.0 -25.0 . . 7 LEU . . . . . . . . . . . . . parsed_1ee7 1
16 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 85.0 . . 7 LEU . . . . . . . . . . . . . parsed_1ee7 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -35.0 . . 7 LEU . . . . . . . . . . . . . parsed_1ee7 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 8 GLN . . . . . . . . . . . . . parsed_1ee7 1
19 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -95.0 . . 8 GLN . . . . . . . . . . . . . parsed_1ee7 1
20 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -55.0 . . 8 GLN . . . . . . . . . . . . . parsed_1ee7 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -25.0 . . 8 GLN . . . . . . . . . . . . . parsed_1ee7 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -75.0 . . 9 GLY . . . . . . . . . . . . . parsed_1ee7 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . . 9 GLY . . . . . . . . . . . . . parsed_1ee7 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -35.0 . . 10 AIB . . . . . . . . . . . . . parsed_1ee7 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -45.0 . . 10 AIB . . . . . . . . . . . . . parsed_1ee7 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -45.0 . . 11 AIB . . . . . . . . . . . . . parsed_1ee7 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -25.0 . . 11 AIB . . . . . . . . . . . . . parsed_1ee7 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -75.0 . . 12 ALA . . . . . . . . . . . . . parsed_1ee7 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.0 5.0 . . 12 ALA . . . . . . . . . . . . . parsed_1ee7 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -95.0 . . 13 ALA . . . . . . . . . . . . . parsed_1ee7 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 5.0 . . 13 ALA . . . . . . . . . . . . . parsed_1ee7 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -35.0 . . 14 AIB . . . . . . . . . . . . . parsed_1ee7 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -35.0 . . 14 AIB . . . . . . . . . . . . . parsed_1ee7 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 15 PRO . . . . . . . . . . . . . parsed_1ee7 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 16 AIB . . . . . . . . . . . . . parsed_1ee7 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 15.0 . . 16 AIB . . . . . . . . . . . . . parsed_1ee7 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . . 17 AIB . . . . . . . . . . . . . parsed_1ee7 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 5.0 . . 17 AIB . . . . . . . . . . . . . parsed_1ee7 1
39 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 345.0 . . 17 AIB . . . . . . . . . . . . . parsed_1ee7 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 18 AIB . . . . . . . . . . . . . parsed_1ee7 1
41 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 5.0 . . 18 AIB . . . . . . . . . . . . . parsed_1ee7 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -285.0 -45.0 . . 19 GLN . . . . . . . . . . . . . parsed_1ee7 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.0 95.0 . . 19 GLN . . . . . . . . . . . . . parsed_1ee7 1
44 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 205.0 . . 19 GLN . . . . . . . . . . . . . parsed_1ee7 1
45 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 75.0 . . 19 GLN . . . . . . . . . . . . . parsed_1ee7 1
46 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 285.0 . . 20 TRO . . . . . . . . . . . . . parsed_1ee7 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 75.0 . . 20 TRO . . . . . . . . . . . . . parsed_1ee7 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "TORSION ANGLE CONSTRAINTS:" 1 1 1 28 parsed_1ee7 1
stop_
save_
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