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 |
|
|
640869 |
6ee9   |
30507 | cing | 2-parsed | STAR | dihedral angle | 22 |
data_6ee9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ee9
_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_6ee9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ee9
_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 6ee9 "Master copy" parsed_6ee9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ee9
_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 6ee9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ee9 1
1 6ee9.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_6ee9 1
1 6ee9.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_6ee9 1
1 6ee9.mr . . XPLOR/CNS 4 distance "general distance" simple 0 parsed_6ee9 1
1 6ee9.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_6ee9 1
1 6ee9.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ee9 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6ee9
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_6ee9 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -100.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_6ee9 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -100.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_6ee9 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -100.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_6ee9 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -100.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_6ee9 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_6ee9 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_6ee9 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -100.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_6ee9 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -100.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_6ee9 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -100.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_6ee9 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_6ee9 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_6ee9 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_6ee9 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_6ee9 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_6ee9 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_6ee9 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 50.0 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_6ee9 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 40.0 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_6ee9 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_6ee9 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_6ee9 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_6ee9 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_6ee9 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
;
Phi
P9
;
2 1 4 4 parsed_6ee9 1
2 Y12 9 1 9 5 parsed_6ee9 1
3 V13 13 1 13 5 parsed_6ee9 1
4 R14 17 1 17 5 parsed_6ee9 1
5
;
Artificially enforced beta-strand value
R15
;
19 80 21 5 parsed_6ee9 1
6 G16 25 1 25 5 parsed_6ee9 1
7 T17 27 78 29 5 parsed_6ee9 1
8 F18 33 1 33 5 parsed_6ee9 1
9 C19 37 1 37 5 parsed_6ee9 1
10 F20 41 1 41 5 parsed_6ee9 1
11 P21 45 1 45 5 parsed_6ee9 1
12
;
Psi
P9
;
49 1 51 4 parsed_6ee9 1
13 Y12 55 1 55 5 parsed_6ee9 1
14 V13 59 1 59 5 parsed_6ee9 1
15 R14 63 1 63 5 parsed_6ee9 1
16 R15 67 1 67 5 parsed_6ee9 1
17 G16 71 1 71 5 parsed_6ee9 1
18 T17 75 1 75 5 parsed_6ee9 1
19 F18 79 1 79 5 parsed_6ee9 1
20 C19 83 1 83 5 parsed_6ee9 1
21 F20 87 1 87 5 parsed_6ee9 1
22 P21 91 1 91 5 parsed_6ee9 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 1: SRP1_Dihedral072016.tbl" 1 1 1 44 parsed_6ee9 1
stop_
save_
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