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 |
|
|
31661 |
1esh   |
cing | 2-parsed | STAR | dihedral angle | 35 |
data_1esh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1esh
_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_1esh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1esh
_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 1esh "Master copy" parsed_1esh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1esh
_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 1esh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1esh 1
1 1esh.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 20 parsed_1esh 1
1 1esh.mr . . XPLOR/CNS 3 distance NOE simple 164 parsed_1esh 1
1 1esh.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1esh 1
1 1esh.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_1esh 1
1 1esh.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1esh 1
1 1esh.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1esh 1
1 1esh.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1esh 1
1 1esh.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1esh 1
1 1esh.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1esh 1
1 1esh.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1esh 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1esh
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 1 . h22 . 1 . n2 . 1 . c2 . 1 . n3 parsed_1esh 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 2 . h22 . 2 . n2 . 2 . c2 . 2 . n3 parsed_1esh 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 4 . h22 . 4 . n2 . 4 . c2 . 4 . n3 parsed_1esh 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 9 . h22 . 9 . n2 . 9 . c2 . 9 . n3 parsed_1esh 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 5 . h42 . 5 . n4 . 5 . c4 . 5 . c5 parsed_1esh 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 10 . h42 . 10 . n4 . 10 . c4 . 10 . c5 parsed_1esh 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 12 . h42 . 12 . n4 . 12 . c4 . 12 . c5 parsed_1esh 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 13 . h42 . 13 . n4 . 13 . c4 . 13 . c5 parsed_1esh 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 6 . h62 . 6 . n6 . 6 . c6 . 6 . c5 parsed_1esh 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 8 . h62 . 8 . n6 . 8 . c6 . 8 . c5 parsed_1esh 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 11 . h62 . 11 . n6 . 11 . c6 . 11 . c5 parsed_1esh 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 2 . c4' . 2 . o4' . 2 . c1' . 2 . c2' parsed_1esh 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27 -17 . . 2 . o4' . 2 . c1' . 2 . c2' . 2 . c3' parsed_1esh 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31 41 . . 2 . c1' . 2 . c2' . 2 . c3' . 2 . c4' parsed_1esh 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41 -31 . . 2 . c2' . 2 . c3' . 2 . c4' . 2 . o4' parsed_1esh 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 3 . c4' . 3 . o4' . 3 . c1' . 3 . c2' parsed_1esh 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27 -17 . . 3 . o4' . 3 . c1' . 3 . c2' . 3 . c3' parsed_1esh 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31 41 . . 3 . c1' . 3 . c2' . 3 . c3' . 3 . c4' parsed_1esh 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41 -31 . . 3 . c2' . 3 . c3' . 3 . c4' . 3 . o4' parsed_1esh 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 4 . c4' . 4 . o4' . 4 . c1' . 4 . c2' parsed_1esh 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27 -17 . . 4 . o4' . 4 . c1' . 4 . c2' . 4 . c3' parsed_1esh 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31 41 . . 4 . c1' . 4 . c2' . 4 . c3' . 4 . c4' parsed_1esh 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41 -31 . . 4 . c2' . 4 . c3' . 4 . c4' . 4 . o4' parsed_1esh 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 10 . c4' . 10 . o4' . 10 . c1' . 10 . c2' parsed_1esh 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27 -17 . . 10 . o4' . 10 . c1' . 10 . c2' . 10 . c3' parsed_1esh 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31 41 . . 10 . c1' . 10 . c2' . 10 . c3' . 10 . c4' parsed_1esh 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41 -31 . . 10 . c2' . 10 . c3' . 10 . c4' . 10 . o4' parsed_1esh 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 11 . c4' . 11 . o4' . 11 . c1' . 11 . c2' parsed_1esh 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27 -17 . . 11 . o4' . 11 . c1' . 11 . c2' . 11 . c3' parsed_1esh 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31 41 . . 11 . c1' . 11 . c2' . 11 . c3' . 11 . c4' parsed_1esh 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41 -31 . . 11 . c2' . 11 . c3' . 11 . c4' . 11 . o4' parsed_1esh 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5 5 . . 12 . c4' . 12 . o4' . 12 . c1' . 12 . c2' parsed_1esh 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27 -17 . . 12 . o4' . 12 . c1' . 12 . c2' . 12 . c3' parsed_1esh 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31 41 . . 12 . c1' . 12 . c2' . 12 . c3' . 12 . c4' parsed_1esh 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41 -31 . . 12 . c2' . 12 . c3' . 12 . c4' . 12 . o4' parsed_1esh 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 "Keep G amino groups in the plane of the base" 1 1 1 1 parsed_1esh 1
2 "Keep C amino groups in the plane of the base" 12 1 12 1 parsed_1esh 1
3 "Keep A amino groups in the plane of the base" 23 1 23 1 parsed_1esh 1
4 "Make some nucleotides c3'-endo, restrain v0, v1,v2, and v3 instead of delta" 31 1 31 1 parsed_1esh 1
stop_
save_
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