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 |
|
|
51651 |
2k91   |
16027 | cing | 2-parsed | STAR | dihedral angle | 52 |
data_2k91_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k91
_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_2k91 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k91
_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 2k91 "Master copy" parsed_2k91
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k91
_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 2k91.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k91 1
1 2k91.mr . . XPLOR/CNS 2 distance NOE simple 639 parsed_2k91 1
1 2k91.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 34 parsed_2k91 1
1 2k91.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 52 parsed_2k91 1
1 2k91.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k91 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k91
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2k91 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2k91 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2k91 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2k91 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2k91 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2k91 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2k91 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2k91 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2k91 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2k91 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2k91 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2k91 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2k91 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2k91 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2k91 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2k91 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2k91 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2k91 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2k91 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2k91 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2k91 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2k91 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2k91 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2k91 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2k91 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2k91 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2k91 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2k91 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 3 . N . 3 . CA . 3 . CB . 3 . CG1 parsed_2k91 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 6 . N . 6 . CA . 6 . CB . 6 . SG parsed_2k91 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 7 . N . 7 . CA . 7 . CB . 7 . SG parsed_2k91 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 19 . N . 19 . CA . 19 . CB . 19 . CG parsed_2k91 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 20 . N . 20 . CA . 20 . CB . 20 . SG parsed_2k91 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_2k91 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_2k91 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 28 . N . 28 . CA . 28 . CB . 28 . SG parsed_2k91 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 31 . N . 31 . CA . 31 . CB . 31 . CG parsed_2k91 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_2k91 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 33 . N . 33 . CA . 33 . CB . 33 . CG1 parsed_2k91 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 39 . N . 39 . CA . 39 . CB . 39 . CG1 parsed_2k91 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 40 . N . 40 . CA . 40 . CB . 40 . SG parsed_2k91 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 42 . N . 42 . CA . 42 . CB . 42 . CG parsed_2k91 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 4 . N . 4 . CA . 4 . CB . 4 . CG parsed_2k91 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 9 . N . 9 . CA . 9 . CB . 9 . OG parsed_2k91 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 12 . N . 12 . CA . 12 . CB . 12 . OG parsed_2k91 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_2k91 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG parsed_2k91 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_2k91 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_2k91 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 38 . N . 38 . CA . 38 . CB . 38 . CG parsed_2k91 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 46 . N . 46 . CA . 46 . CB . 46 . CG parsed_2k91 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 47 . N . 47 . CA . 47 . CB . 47 . CG parsed_2k91 1
stop_
save_
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