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 |
|
|
606768 |
2n8e   |
25847 | cing | 2-parsed | STAR | dihedral angle | 37 |
data_2n8e_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n8e
_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_2n8e 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n8e
_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 2n8e "Master copy" parsed_2n8e
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n8e
_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 2n8e.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n8e 1
1 2n8e.mr . . XPLOR/CNS 2 distance NOE simple 377 parsed_2n8e 1
1 2n8e.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_2n8e 1
1 2n8e.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2n8e 1
1 2n8e.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n8e 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2n8e
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.0 -39.2 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2n8e 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.9 178.9 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2n8e 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.1 -115.1 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2n8e 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.1 177.5 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2n8e 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 8 . N . 8 . CA . 8 . CB . 8 . SG parsed_2n8e 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -41.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2n8e 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.1 -9.1 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2n8e 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.7 -53.9 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2n8e 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.7 30.3 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2n8e 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.3 -46.7 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2n8e 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.1 72.3 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2n8e 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . N . 15 . CA . 15 . CB . 15 . SG parsed_2n8e 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.9 -48.9 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2n8e 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.2 -6.2 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2n8e 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.3 -58.3 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2n8e 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.7 34.5 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2n8e 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42.5 82.5 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2n8e 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.5 50.5 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2n8e 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.2 -36.2 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2n8e 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.3 172.3 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2n8e 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.6 -58.4 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2n8e 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.0 151.4 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2n8e 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.1 -49.1 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2n8e 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.5 5.5 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2n8e 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.3 -80.3 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2n8e 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.2 31.0 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2n8e 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_2n8e 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 38.0 78.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2n8e 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.3 57.3 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2n8e 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.4 -90.4 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2n8e 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.8 169.8 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2n8e 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.0 -62.8 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2n8e 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.9 162.5 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2n8e 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.4 -93.4 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2n8e 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.2 175.8 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2n8e 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.8 -49.8 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2n8e 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.7 154.7 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2n8e 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 "# Dihedral angles" 1 1 1 17 parsed_2n8e 1
stop_
save_
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