Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
625675 | 6ena RC | 34183 | cing | 2-parsed | STAR | dihedral angle | 55 |
data_6ena_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ena
_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_6ena 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ena
_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 6ena "Master copy" parsed_6ena
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ena
_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 6ena.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ena 1
1 6ena.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 55 parsed_6ena 1
1 6ena.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_6ena 1
1 6ena.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_6ena 1
1 6ena.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_6ena 1
1 6ena.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ena 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6ena
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.1 -45.5 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6ena 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.4 177.6 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6ena 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.7 -52.5 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6ena 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.5 149.5 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6ena 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.8 -47.6 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6ena 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.7 166.5 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6ena 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.7 -37.7 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6ena 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.1 154.1 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6ena 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.2 115.2 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6ena 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.9 7.1 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6ena 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.5 -51.5 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6ena 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.8 162.8 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6ena 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.5 -64.5 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6ena 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.5 152.5 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6ena 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -118.8 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6ena 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.5 180.5 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6ena 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.8 -51.8 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6ena 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.7 42.9 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6ena 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.2 -85.4 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6ena 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.1 168.5 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6ena 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.6 -38.6 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6ena 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.9 -15.9 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6ena 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -48.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6ena 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.5 -1.5 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6ena 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.6 -54.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6ena 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.4 152.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6ena 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.2 79.2 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6ena 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 63.3 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6ena 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6ena 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.6 -33.2 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6ena 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43.1 83.1 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6ena 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.8 55.0 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6ena 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.1 -98.3 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6ena 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.8 168.8 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6ena 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.8 -58.8 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6ena 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.3 146.7 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6ena 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.3 -52.1 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6ena 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.7 191.9 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6ena 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 2 . N . 2 . CA . 2 . CB . 2 . SG parsed_6ena 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . CG1 parsed_6ena 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . N . 7 . CA . 7 . CB . 7 . OG parsed_6ena 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 9 . N . 9 . CA . 9 . CB . 9 . SG parsed_6ena 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 10 . N . 10 . CA . 10 . CB . 10 . OG1 parsed_6ena 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . N . 11 . CA . 11 . CB . 11 . CG parsed_6ena 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 12 . N . 12 . CA . 12 . CB . 12 . OG parsed_6ena 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . N . 15 . CA . 15 . CB . 15 . SG parsed_6ena 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_6ena 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 17 . N . 17 . CA . 17 . CB . 17 . OG1 parsed_6ena 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 . N . 20 . CA . 20 . CB . 20 . SG parsed_6ena 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 22 . N . 22 . CA . 22 . CB . 22 . CG parsed_6ena 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_6ena 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_6ena 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . N . 26 . CA . 26 . CB . 26 . SG parsed_6ena 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_6ena 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 31 . N . 31 . CA . 31 . CB . 31 . CG parsed_6ena 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 "assign (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name C ) (resid 22 and name N ) 1.0 -2.8 32.9 2" 30 1 30 147 parsed_6ena 1
2 "assign (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name CB ) (resid 5 and name OG1 ) 1.0 -60.0 30.0 2" 43 1 43 147 parsed_6ena 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: dihedrals.tbl" 1 1 1 34 parsed_6ena 1
stop_
save_