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 |
|
|
41975 |
1xq8   |
5744 | cing | 2-parsed | STAR | dihedral angle | 18 |
data_1xq8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1xq8
_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_1xq8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1xq8
_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 1xq8 "Master copy" parsed_1xq8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1xq8
_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 1xq8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1xq8 1
1 1xq8.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 190 parsed_1xq8 1
1 1xq8.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1xq8 1
1 1xq8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1xq8 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1xq8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_1xq8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 20 . N . 20 . CA . 20 . CB . 20 . CG parsed_1xq8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 26 . N . 26 . CA . 26 . CB . 26 . CG1 parsed_1xq8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_1xq8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 44 . N . 44 . CA . 44 . CB . 44 . OG1 parsed_1xq8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.000 240.000 . . 50 . N . 50 . CA . 50 . CB . 50 . CG parsed_1xq8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 52 . N . 52 . CA . 52 . CB . 52 . CG1 parsed_1xq8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 60 . N . 60 . CA . 60 . CB . 60 . CG parsed_1xq8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 61 . N . 61 . CA . 61 . CB . 61 . CG parsed_1xq8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 63 . N . 63 . CA . 63 . CB . 63 . CG1 parsed_1xq8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 79 . N . 79 . CA . 79 . CB . 79 . CG parsed_1xq8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 82 . N . 82 . CA . 82 . CB . 82 . CG1 parsed_1xq8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 92 . N . 92 . CA . 92 . CB . 92 . OG1 parsed_1xq8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.000 240.000 . . 102 . N . 102 . CA . 102 . CB . 102 . CG parsed_1xq8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 104 . N . 104 . CA . 104 . CB . 104 . CG parsed_1xq8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 109 . N . 109 . CA . 109 . CB . 109 . CG parsed_1xq8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.000 240.000 . . 112 . N . 112 . CA . 112 . CB . 112 . CG1 parsed_1xq8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 123 . N . 123 . CA . 123 . CB . 123 . CG parsed_1xq8 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 "Chi1 dihedrals from JNCg and JCCg couplings" 2 1 2 46 parsed_1xq8 1
stop_
save_
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