NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
40098 |
1ugl   |
5848 | cing | recoord | 2-parsed | STAR | dihedral angle | 46 |
data_1ugl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ugl
_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_1ugl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ugl
_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 1ugl "Master copy" parsed_1ugl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ugl
_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 1ugl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ugl 1
1 1ugl.mr . . XPLOR/CNS 2 distance NOE ambi 0 parsed_1ugl 1
1 1ugl.mr . . XPLOR/CNS 3 distance NOE ambi 393 parsed_1ugl 1
1 1ugl.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_1ugl 1
1 1ugl.mr . . XPLOR/CNS 5 distance NOE ambi 22 parsed_1ugl 1
1 1ugl.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_1ugl 1
1 1ugl.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ugl 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ugl
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1ugl 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1ugl 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1ugl 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1ugl 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1ugl 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1ugl 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1ugl 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1ugl 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1ugl 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1ugl 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1ugl 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1ugl 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1ugl 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1ugl 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1ugl 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1ugl 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1ugl 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1ugl 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1ugl 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1ugl 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1ugl 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1ugl 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1ugl 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1ugl 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1ugl 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1ugl 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1ugl 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_1ugl 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 33 . N . 33 . CA . 33 . CB . 33 . CG parsed_1ugl 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 35 . N . 35 . CA . 35 . CB . 35 . CG parsed_1ugl 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 41 . N . 41 . CA . 41 . CB . 41 . CG parsed_1ugl 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 45 . N . 45 . CA . 45 . CB . 45 . CG parsed_1ugl 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 46 . N . 46 . CA . 46 . CB . 46 . CG parsed_1ugl 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 165.0 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_1ugl 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 165.0 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_1ugl 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 165.0 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_1ugl 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 165.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_1ugl 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 165.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_1ugl 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -15.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_1ugl 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -15.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_1ugl 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -15.0 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_1ugl 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -15.0 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_1ugl 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -15.0 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_1ugl 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -15.0 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_1ugl 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -15.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_1ugl 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -15.0 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_1ugl 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 phi 2 1 2 5 parsed_1ugl 1
2 strand2 28 1 28 9 parsed_1ugl 1
3 strand3 34 1 34 9 parsed_1ugl 1
4 strand1 40 1 40 9 parsed_1ugl 1
5 a-helix 46 1 46 9 parsed_1ugl 1
6 CHI 78 1 78 5 parsed_1ugl 1
7
;
assign (resid 40 and name N ) (resid 40 and name CA )
(resid 40 and name CB ) (resid 40 and name CG ) 1 -60.0 25.0 2
;
88 1 89 66 parsed_1ugl 1
8
;
psi
strand2
;
101 1 102 9 parsed_1ugl 1
9
;
strand3
assign (resid 43 and name N ) (resid 43 and name CA )
(resid 43 and name C ) (resid 44 and name N ) 1 130 35.0 2
assign (resid 44 and name N ) (resid 44 and name CA )
(resid 44 and name C ) (resid 45 and name N ) 1 130 35.0 2
;
108 1 112 63 parsed_1ugl 1
10 strand1 116 1 116 9 parsed_1ugl 1
11 a-helix 123 1 123 9 parsed_1ugl 1
stop_
save_
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