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 |
|
|
36697 |
1o4x   |
cing | 2-parsed | STAR | dihedral angle | 35 |
data_1o4x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1o4x
_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_1o4x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1o4x
_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 1o4x "Master copy" parsed_1o4x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1o4x
_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 1o4x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 139 parsed_1o4x 1
1 1o4x.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 204 parsed_1o4x 1
1 1o4x.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 7 distance NOE ambi 16 parsed_1o4x 1
1 1o4x.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 9 distance NOE ambi 47 parsed_1o4x 1
1 1o4x.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 11 distance NOE simple 3 parsed_1o4x 1
1 1o4x.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1o4x 1
1 1o4x.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1o4x 1
1 1o4x.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 17 distance "general distance" simple 15 parsed_1o4x 1
1 1o4x.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 19 distance "general distance" simple 5 parsed_1o4x 1
1 1o4x.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 21 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_1o4x 1
1 1o4x.mr . . n/a 22 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 23 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 24 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 25 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 26 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 27 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . "MR format" 28 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1o4x 1
stop_
save_
save_CNS/XPLOR_dihedral_21
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1o4x
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 21
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg parsed_1o4x 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 48 . ca . 48 . cb . 48 . cg . 48 . cd parsed_1o4x 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 48 . cb . 48 . cg . 48 . cd . 48 . oe1 parsed_1o4x 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg parsed_1o4x 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 24 . ca . 24 . cb . 24 . cg . 24 . cd parsed_1o4x 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 52 . n . 52 . ca . 52 . cb . 52 . og parsed_1o4x 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 31 . n . 31 . ca . 31 . cb . 31 . cg parsed_1o4x 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 31 . ca . 31 . cb . 31 . cg . 31 . cd parsed_1o4x 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 31 . cb . 31 . cg . 31 . cd . 31 . oe1 parsed_1o4x 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 49 . n . 49 . ca . 49 . cb . 49 . og1 parsed_1o4x 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 58 . n . 58 . ca . 58 . cb . 58 . cg parsed_1o4x 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 58 . ca . 58 . cb . 58 . cg . 58 . od1 parsed_1o4x 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 45 . n . 45 . ca . 45 . cb . 45 . cg parsed_1o4x 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 45 . ca . 45 . cb . 45 . cg . 45 . od1 parsed_1o4x 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 46 . n . 46 . ca . 46 . cb . 46 . cg parsed_1o4x 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 46 . ca . 46 . cb . 46 . cg . 46 . cd1 parsed_1o4x 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 47 . n . 47 . ca . 47 . cb . 47 . og parsed_1o4x 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 49 . n . 49 . ca . 49 . cb . 49 . og1 parsed_1o4x 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 50 . n . 50 . ca . 50 . cb . 50 . og1 parsed_1o4x 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 53 . n . 53 . ca . 53 . cb . 53 . cg parsed_1o4x 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 53 . ca . 53 . cb . 53 . cg . 53 . cd parsed_1o4x 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 53 . cb . 53 . cg . 53 . cd . 53 . ne parsed_1o4x 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 53 . cg . 53 . cd . 53 . ne . 53 . cz parsed_1o4x 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 62 . n . 62 . ca . 62 . cb . 62 . cg parsed_1o4x 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 215.0 . . 62 . ca . 62 . cb . 62 . cg . 62 . cd parsed_1o4x 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 62 . cb . 62 . cg . 62 . cd . 62 . ce parsed_1o4x 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 62 . cg . 62 . cd . 62 . ce . 62 . nz parsed_1o4x 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 63 . n . 63 . ca . 63 . cb . 63 . cg parsed_1o4x 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 50.0 . . 63 . ca . 63 . cb . 63 . cg . 63 . od1 parsed_1o4x 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 66 . n . 66 . ca . 66 . cb . 66 . cg parsed_1o4x 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 66 . ca . 66 . cb . 66 . cg . 66 . cd parsed_1o4x 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 66 . cb . 66 . cg . 66 . cd . 66 . ce parsed_1o4x 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 66 . cg . 66 . cd . 66 . ce . 66 . nz parsed_1o4x 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 67 . n . 67 . ca . 67 . cb . 67 . cg parsed_1o4x 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 67 . ca . 67 . cb . 67 . cg . 67 . cd1 parsed_1o4x 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 Q48 1 1 1 5 parsed_1o4x 1
2 R24 10 1 10 5 parsed_1o4x 1
3 S52 17 1 17 5 parsed_1o4x 1
4 Q31 21 1 21 5 parsed_1o4x 1
5 T49 30 1 30 5 parsed_1o4x 1
6 N58 35 1 35 5 parsed_1o4x 1
7 D45 42 1 42 5 parsed_1o4x 1
8 F46 49 1 49 5 parsed_1o4x 1
9 S47 55 1 55 5 parsed_1o4x 1
10 T49 59 1 59 5 parsed_1o4x 1
11 T50 63 1 63 5 parsed_1o4x 1
12 R53 67 1 67 5 parsed_1o4x 1
13 K62 78 1 78 5 parsed_1o4x 1
14 N63 88 1 88 5 parsed_1o4x 1
15 K66 97 1 97 5 parsed_1o4x 1
16 L67 108 1 108 5 parsed_1o4x 1
stop_
save_
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