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 |
|
|
551825 |
2lnf   |
18163 | cing | 2-parsed | STAR | dihedral angle | 10 |
data_2lnf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lnf
_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_2lnf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lnf
_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 2lnf "Master copy" parsed_2lnf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lnf
_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 2lnf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lnf 1
1 2lnf.mr . . XPLOR/CNS 2 distance NOE simple 95 parsed_2lnf 1
1 2lnf.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_2lnf 1
1 2lnf.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lnf 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lnf
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.57 -69.57 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_2lnf 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.83 -71.83 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2lnf 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.69 -80.69 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2lnf 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.89 -79.89 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2lnf 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.17 -80.17 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2lnf 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.54 -89.54 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2lnf 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.89 -97.89 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2lnf 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.83 -71.83 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2lnf 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.32 -69.32 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2lnf 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.74 -78.74 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2lnf 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
;
echo=true
wrnlev=5
;
1 1 2 16 parsed_2lnf 1
2
;
!
! Phi restraints: minimum deviation = 30 degrees
! 2
;
8 1 11 10 parsed_2lnf 1
3 "! 3" 15 3 15 10 parsed_2lnf 1
4 "! 4" 19 3 19 10 parsed_2lnf 1
5 "! 5" 23 2 23 9 parsed_2lnf 1
6 "! 6" 27 3 27 10 parsed_2lnf 1
7 "! 8" 31 4 31 20 parsed_2lnf 1
8 "! 9" 35 4 35 10 parsed_2lnf 1
9 "! 11" 39 3 39 17 parsed_2lnf 1
10 "! 12" 43 3 43 83 parsed_2lnf 1
11 "! 13" 48 3 48 9 parsed_2lnf 1
stop_
save_
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