NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
29093 |
1aj1   |
cing | 2-parsed | STAR | dihedral angle | 21 |
data_1aj1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1aj1
_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_1aj1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1aj1
_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 1aj1 "Master copy" parsed_1aj1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1aj1
_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 1aj1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1aj1 1
1 1aj1.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1aj1 1
1 1aj1.mr . . DISCOVER 3 distance NOE simple 139 parsed_1aj1 1
1 1aj1.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1aj1 1
1 1aj1.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_1aj1 1
1 1aj1.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1aj1 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1aj1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 1 LAN C 1 2 SER N 1 2 SER CA 1 2 SER C parsed_1aj1 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 3 GLY C 1 4 TRP N 1 4 TRP CA 1 4 TRP C parsed_1aj1 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 4 TRP C 1 5 VAL N 1 5 VAL CA 1 5 VAL C parsed_1aj1 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 160.000 . 1 6 LAS C 1 7 MLA N 1 7 MLA CA 1 7 MLA C parsed_1aj1 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 7 MLA C 1 8 LEU N 1 8 LEU CA 1 8 LEU C parsed_1aj1 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 160.000 . 1 8 LEU C 1 9 MLA N 1 9 MLA CA 1 9 MLA C parsed_1aj1 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 9 MLA C 1 10 ILE N 1 10 ILE CA 1 10 ILE C parsed_1aj1 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 11 GLU C 1 12 LAS N 1 12 LAS CA 1 12 LAS C parsed_1aj1 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 160.000 . 1 13 GLY C 1 14 MLA N 1 14 MLA CA 1 14 MLA C parsed_1aj1 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 14 MLA C 1 15 VAL N 1 15 VAL CA 1 15 VAL C parsed_1aj1 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 15 VAL C 1 16 ILE N 1 16 ILE CA 1 16 ILE C parsed_1aj1 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 16 ILE C 1 17 LAS N 1 17 LAS CA 1 17 LAS C parsed_1aj1 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 17 LAS C 1 18 ALA N 1 18 ALA CA 1 18 ALA C parsed_1aj1 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 18 ALA C 1 19 LAS N 1 19 LAS CA 1 19 LAS C parsed_1aj1 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 120.000 . 1 7 MLA HA 1 7 MLA CA 1 7 MLA CB 1 7 MLA HB parsed_1aj1 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 120.000 . 1 9 MLA HA 1 9 MLA CA 1 9 MLA CB 1 9 MLA HB parsed_1aj1 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 120.000 . 1 14 MLA HA 1 14 MLA CA 1 14 MLA CB 1 14 MLA HB parsed_1aj1 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 149.6 -149.6 . 1 4 TRP HA 1 4 TRP CA 1 4 TRP CB 1 4 TRP HBR parsed_1aj1 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.1 -143.1 . 1 12 LAS HA 1 12 LAS CA 1 12 LAS CB 1 12 LAS HBS parsed_1aj1 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 149.6 -149.6 . 1 19 LAS HA 1 19 LAS CA 1 19 LAS CB 1 19 LAS HBR parsed_1aj1 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.1 -143.1 . 1 6 LAS HA 1 6 LAS CA 1 6 LAS CB 1 6 LAS HBR parsed_1aj1 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 NMR_dihedral 1 1 1 13 parsed_1aj1 1
2 3J_dihedral 19 1 20 12 parsed_1aj1 1
3 "A=9.500, B=-1.600, C=1.800" 21 124 21 150 parsed_1aj1 1
4 "A=9.500, B=-1.600, C=1.800" 22 124 22 150 parsed_1aj1 1
5 "A=9.500, B=-1.600, C=1.800" 23 124 23 150 parsed_1aj1 1
stop_
save_
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