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 |
|
|
33396 |
1i8e   |
5021 | cing | 2-parsed | STAR | dihedral angle | 11 |
data_1i8e_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1i8e
_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_1i8e 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1i8e
_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 1i8e "Master copy" parsed_1i8e
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1i8e
_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 1i8e.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1i8e 1
1 1i8e.mr . . XPLOR/CNS 2 distance NOE simple 122 parsed_1i8e 1
1 1i8e.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 11 parsed_1i8e 1
1 1i8e.mr . . XPLOR/CNS 4 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1i8e 1
1 1i8e.mr . . XPLOR/CNS 5 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1i8e 1
1 1i8e.mr . . XPLOR/CNS 6 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1i8e 1
1 1i8e.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1i8e 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1i8e
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1i8e 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1i8e 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1i8e 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1i8e 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1i8e 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1i8e 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1i8e 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1i8e 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1i8e 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 3 . n . 3 . ca . 3 . cb . 3 . cg parsed_1i8e 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 11 . n . 11 . ca . 11 . cb . 11 . cg parsed_1i8e 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
;
A22 dihedral restraints
C1
;
1 1 3 10 parsed_1i8e 1
2
;
9.5 1.0
Y2
;
5 68 6 10 parsed_1i8e 1
3
;
10.2 1.0
C3
;
8 68 9 10 parsed_1i8e 1
4
;
13.5 1.0
S4
;
11 69 12 10 parsed_1i8e 1
5
;
12.9 1.0
L5
;
14 69 15 10 parsed_1i8e 1
6
;
13.0 1.0
R6
;
17 70 18 10 parsed_1i8e 1
7
;
13.7 1.0
C9
;
20 70 21 10 parsed_1i8e 1
8
;
12.0 1.0
Y10
;
23 72 24 11 parsed_1i8e 1
9
;
10.1 1.0
C11
;
26 72 27 11 parsed_1i8e 1
10
;
9.6 1.0
chi-angles
Y2
;
29 73 31 4 parsed_1i8e 1
11 Y10 34 1 34 5 parsed_1i8e 1
stop_
save_
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