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 |
|
|
627051 |
6f4z   |
34210 | cing | 2-parsed | STAR | dihedral angle | 22 |
data_6f4z_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6f4z
_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_6f4z 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6f4z
_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 6f4z "Master copy" parsed_6f4z
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6f4z
_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 6f4z.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6f4z 1
1 6f4z.mr . . AMBER 2 distance "hydrogen bond" simple 0 parsed_6f4z 1
1 6f4z.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6f4z 1
1 6f4z.mr . . unknown 4 unknown "Not applicable" "Not applicable" 0 parsed_6f4z 1
1 6f4z.mr . . AMBER 5 planarity "Not applicable" "Not applicable" 0 parsed_6f4z 1
1 6f4z.mr . . AMBER 6 distance NOE simple 0 parsed_6f4z 1
1 6f4z.mr . . AMBER 7 planarity "Not applicable" "Not applicable" 0 parsed_6f4z 1
1 6f4z.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_6f4z 1
1 6f4z.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 0 parsed_6f4z 1
1 6f4z.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_6f4z 1
1 6f4z.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6f4z 1
stop_
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6f4z
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.00 110.00 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_6f4z 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_6f4z 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_6f4z 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 4 . O4' . 4 . C1' . 4 . N9 . 4 . C4 parsed_6f4z 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 5 . O4' . 5 . C1' . 5 . N9 . 5 . C4 parsed_6f4z 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.00 110.00 . . 6 . O4' . 6 . C1' . 6 . N9 . 6 . C4 parsed_6f4z 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.00 110.00 . . 7 . O4' . 7 . C1' . 7 . N9 . 7 . C4 parsed_6f4z 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 8 . O4' . 8 . C1' . 8 . N9 . 8 . C4 parsed_6f4z 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 9 . O4' . 9 . C1' . 9 . N9 . 9 . C4 parsed_6f4z 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 10 . O4' . 10 . C1' . 10 . N9 . 10 . C4 parsed_6f4z 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 11 . O4' . 11 . C1' . 11 . N9 . 11 . C4 parsed_6f4z 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 12 . O4' . 12 . C1' . 12 . N9 . 12 . C4 parsed_6f4z 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 13 . O4' . 13 . C1' . 13 . N9 . 13 . C4 parsed_6f4z 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.00 110.00 . . 14 . O4' . 14 . C1' . 14 . N9 . 14 . C4 parsed_6f4z 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 340.00 . . 15 . O4' . 15 . C1' . 15 . N9 . 15 . C4 parsed_6f4z 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 16 . O4' . 16 . C1' . 16 . N9 . 16 . C4 parsed_6f4z 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 17 . O4' . 17 . C1' . 17 . N9 . 17 . C4 parsed_6f4z 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 18 . O4' . 18 . C1' . 18 . N9 . 18 . C4 parsed_6f4z 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.00 220.00 . . 19 . O4' . 19 . C1' . 19 . N9 . 19 . C4 parsed_6f4z 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.00 110.00 . . 20 . O4' . 20 . C1' . 20 . N9 . 20 . C4 parsed_6f4z 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.00 110.00 . . 21 . O4' . 21 . C1' . 21 . N9 . 21 . C4 parsed_6f4z 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 310.00 . . 22 . O4' . 22 . C1' . 22 . N9 . 22 . C4 parsed_6f4z 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 "glycosidic angle" 10 1 10 18 parsed_6f4z 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 7: xplor_dihedral
restraints
dihedral
reset
;
1 1 7 9 parsed_6f4z 1
2
;
scale=1.0
end
;
82 7 83 3 parsed_6f4z 1
stop_
save_
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