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 |
|
|
36375 |
1nev   |
cing | 2-parsed | STAR | dihedral angle | 18 |
data_1nev_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1nev
_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_1nev 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1nev
_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 1nev "Master copy" parsed_1nev
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1nev
_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 1nev.mr . . "MR format" 1 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 2 distance NOE simple 422 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 52 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 15 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1nev 1
1 1nev.mr . . XPLOR/CNS 12 planarity "Not applicable" "Not applicable" 0 parsed_1nev 1
1 1nev.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nev 1
stop_
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1nev
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . a 2 . P a 2 . O5' a 2 . C5' a 2 . C4' parsed_1nev 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . a 3 . P a 3 . O5' a 3 . C5' a 3 . C4' parsed_1nev 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . a 4 . P a 4 . O5' a 4 . C5' a 4 . C4' parsed_1nev 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . a 5 . P a 5 . O5' a 5 . C5' a 5 . C4' parsed_1nev 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . a 6 . P a 6 . O5' a 6 . C5' a 6 . C4' parsed_1nev 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . a 7 . P a 7 . O5' a 7 . C5' a 7 . C4' parsed_1nev 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . a 8 . P a 8 . O5' a 8 . C5' a 8 . C4' parsed_1nev 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . a 9 . P a 9 . O5' a 9 . C5' a 9 . C4' parsed_1nev 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . a 10 . P a 10 . O5' a 10 . C5' a 10 . C4' parsed_1nev 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . b 12 . P b 12 . O5' b 12 . C5' b 12 . C4' parsed_1nev 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . b 13 . P b 13 . O5' b 13 . C5' b 13 . C4' parsed_1nev 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . b 14 . P b 14 . O5' b 14 . C5' b 14 . C4' parsed_1nev 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . b 15 . P b 15 . O5' b 15 . C5' b 15 . C4' parsed_1nev 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . b 16 . P b 16 . O5' b 16 . C5' b 16 . C4' parsed_1nev 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . b 17 . P b 17 . O5' b 17 . C5' b 17 . C4' parsed_1nev 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . b 18 . P b 18 . O5' b 18 . C5' b 18 . C4' parsed_1nev 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . b 19 . P b 19 . O5' b 19 . C5' b 19 . C4' parsed_1nev 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . b 20 . P b 20 . O5' b 20 . C5' b 20 . C4' parsed_1nev 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
;
------------------------------------------------
Torsion angle beta
defined: P-O5'-C5'-C4'
beta = 180 +- 30
------------------------------------------------
G1 of segment: A
assign (segid a and resid 1 and name P ) (segid a and resid 1 and name O5')
(segid a and resid 1 and name C5') (segid a and resid 1 and name C4')
1 180 30 2
G2 of segment: A
;
2 1 13 19 parsed_1nev 1
2 "C3 of segment: A" 18 2 18 20 parsed_1nev 1
3 "A4 of segment: A" 23 1 23 19 parsed_1nev 1
4 "A5 of segment: A" 28 1 28 19 parsed_1nev 1
5 "A6 of segment: A" 33 1 33 19 parsed_1nev 1
6 "A7 of segment: A" 38 1 38 19 parsed_1nev 1
7 "C8 of segment: A" 43 1 43 19 parsed_1nev 1
8 "G9 of segment: A" 48 1 48 19 parsed_1nev 1
9 "G10 of segment: A" 53 1 53 20 parsed_1nev 1
10
;
C11 of segment: B
assign (segid b and resid 11 and name P ) (segid b and resid 11 and name O5')
(segid b and resid 11 and name C5') (segid b and resid 11 and name C4')
1 180 30 2
C12 of segment: B
;
58 1 63 20 parsed_1nev 1
11 "G13 of segment: B" 68 1 68 20 parsed_1nev 1
12 "T14 of segment: B" 73 1 73 20 parsed_1nev 1
13 "T15 of segment: B" 78 1 78 20 parsed_1nev 1
14 "T16 of segment: B" 83 1 83 20 parsed_1nev 1
15 "T17 of segment: B" 88 1 88 20 parsed_1nev 1
16 "G18 of segment: B" 93 1 93 20 parsed_1nev 1
17 "C19 of segment: B" 98 1 98 20 parsed_1nev 1
18 "C20 of segment: B" 103 1 103 20 parsed_1nev 1
stop_
save_
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