NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
35256 |
1lae   |
cing | 2-parsed | STAR | dihedral angle | 34 |
data_1lae_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1lae
_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_1lae 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1lae
_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 1lae "Master copy" parsed_1lae
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1lae
_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 1lae.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 2 distance NOE ambi 159 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 3 distance NOE ambi 44 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 4 distance NOE ambi 70 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 5 distance NOE ambi 27 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 25 parsed_1lae 1
1 1lae.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_1lae 1
1 1lae.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lae 1
stop_
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lae
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -152.0 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_1lae 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 -161.0 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_1lae 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -153.0 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_1lae 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.5 -154.5 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_1lae 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.5 -150.5 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_1lae 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -146.0 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_1lae 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.5 -156.5 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_1lae 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.5 -142.5 . . 8 . C4' . 8 . C3' . 8 . O3' . 9 . P parsed_1lae 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -156.0 . . 9 . C4' . 9 . C3' . 9 . O3' . 10 . P parsed_1lae 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -153.0 . . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P parsed_1lae 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.5 -159.5 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_1lae 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -152.0 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_1lae 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -119.0 . . 1 . C3' . 1 . O3' . 2 . P . 2 . O5' parsed_1lae 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.0 -108.0 . . 2 . C3' . 2 . O3' . 3 . P . 3 . O5' parsed_1lae 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -118.0 . . 3 . C3' . 3 . O3' . 4 . P . 4 . O5' parsed_1lae 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.0 -111.0 . . 4 . C3' . 4 . O3' . 5 . P . 5 . O5' parsed_1lae 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -116.0 . . 5 . C3' . 5 . O3' . 6 . P . 6 . O5' parsed_1lae 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -109.0 . . 9 . C3' . 9 . O3' . 10 . P . 10 . O5' parsed_1lae 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -118.0 . . 10 . C3' . 10 . O3' . 11 . P . 11 . O5' parsed_1lae 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -110.0 . . 11 . C3' . 11 . O3' . 12 . P . 12 . O5' parsed_1lae 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -116.0 . . 12 . C3' . 12 . O3' . 13 . P . 13 . O5' parsed_1lae 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 1 . O5' . 1 . C5' . 1 . C4' . 1 . C3' parsed_1lae 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_1lae 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_1lae 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_1lae 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 5 . O5' . 5 . C5' . 5 . C4' . 5 . C3' parsed_1lae 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_1lae 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 7 . O5' . 7 . C5' . 7 . C4' . 7 . C3' parsed_1lae 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 8 . O5' . 8 . C5' . 8 . C4' . 8 . C3' parsed_1lae 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 270.0 . . 9 . O5' . 9 . C5' . 9 . C4' . 9 . C3' parsed_1lae 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 10 . O5' . 10 . C5' . 10 . C4' . 10 . C3' parsed_1lae 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 11 . O5' . 11 . C5' . 11 . C4' . 11 . C3' parsed_1lae 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 12 . O5' . 12 . C5' . 12 . C4' . 12 . C3' parsed_1lae 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 13 . O5' . 13 . C5' . 13 . C4' . 13 . C3' parsed_1lae 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 "backbone epsilon angles" 1 1 1 26 parsed_1lae 1
2 "backbone zeta angles" 26 1 26 23 parsed_1lae 1
3 "backbone gamma angles" 45 1 45 24 parsed_1lae 1
4 "message=on echo=on" 73 1 73 26 parsed_1lae 1
stop_
save_
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