NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
517916 |
2ld5   |
16577 | cing | 2-parsed | STAR | entry | full | 88 |
data_2ld5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ld5
_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_2ld5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ld5
_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 2ld5 "Master copy" parsed_2ld5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ld5
_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 2ld5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ld5 1
1 2ld5.mr . . XPLOR/CNS 2 distance NOE simple 46 parsed_2ld5 1
1 2ld5.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 9 parsed_2ld5 1
1 2ld5.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 8 parsed_2ld5 1
1 2ld5.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 25 parsed_2ld5 1
1 2ld5.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ld5 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2ld5
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER TRANSCRIPTION/DNA 14-MAY-11 2LD5
*TITLE SOLUTION NMR-DERIVED COMPLEX STRUCTURE OF HOXA13 DNA BINDING DOMAIN
*TITLE 2 BOUND TO DNA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: HOMEOBOX PROTEIN HOX-A13;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: HOMEOBOX DNA BINDING RESIDUES 320-386;
*COMPND 5 SYNONYM: HOMEOBOX PROTEIN HOX-1.10;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 MOL_ID: 2;
*COMPND 8 MOLECULE: DNA (5'-D(*CP*AP*AP*AP*TP*AP*AP*AP*AP*TP*C)-3');
*COMPND 9 CHAIN: B;
*COMPND 10 ENGINEERED: YES;
*COMPND 11 MOL_ID: 3;
*COMPND 12 MOLECULE: DNA (5'-D(P*GP*AP*TP*TP*TP*TP*AP*TP*TP*TP*G)-3');
*COMPND 13 CHAIN: C;
*COMPND 14 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
*SOURCE 3 ORGANISM_COMMON: MOUSE;
*SOURCE 4 ORGANISM_TAXID: 10090;
*SOURCE 5 GENE: HOXA13, HOX-1.10;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET-15B;
*SOURCE 9 MOL_ID: 2;
*SOURCE 10 SYNTHETIC: YES;
*SOURCE 11 MOL_ID: 3;
*SOURCE 12 SYNTHETIC: YES
*KEYWDS TRANSCRIPTION-DNA COMPLEX
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR Y.ZHANG
*REVDAT 1 10-AUG-11 2LD5 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ld5
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2ld5 1
2 1 . . . parsed_2ld5 1
3 1 . . . parsed_2ld5 1
4 1 . . . parsed_2ld5 1
5 1 . . . parsed_2ld5 1
6 1 . . . parsed_2ld5 1
7 1 . . . parsed_2ld5 1
8 1 . . . parsed_2ld5 1
9 1 . . . parsed_2ld5 1
10 1 . . . parsed_2ld5 1
11 1 . . . parsed_2ld5 1
12 1 . . . parsed_2ld5 1
13 1 . . . parsed_2ld5 1
14 1 . . . parsed_2ld5 1
15 1 . . . parsed_2ld5 1
16 1 . . . parsed_2ld5 1
17 1 . . . parsed_2ld5 1
18 1 . . . parsed_2ld5 1
19 1 . . . parsed_2ld5 1
20 1 . . . parsed_2ld5 1
21 1 . . . parsed_2ld5 1
22 1 . . . parsed_2ld5 1
23 1 . . . parsed_2ld5 1
24 1 . . . parsed_2ld5 1
25 1 . . . parsed_2ld5 1
26 1 . . . parsed_2ld5 1
27 1 . . . parsed_2ld5 1
28 1 . . . parsed_2ld5 1
29 1 . . . parsed_2ld5 1
30 1 . . . parsed_2ld5 1
31 1 . . . parsed_2ld5 1
32 1 . . . parsed_2ld5 1
33 1 . . . parsed_2ld5 1
34 1 . . . parsed_2ld5 1
35 1 . . . parsed_2ld5 1
36 1 . . . parsed_2ld5 1
37 1 . . . parsed_2ld5 1
38 1 . . . parsed_2ld5 1
39 1 . . . parsed_2ld5 1
40 1 . . . parsed_2ld5 1
41 1 . . . parsed_2ld5 1
42 1 . . . parsed_2ld5 1
43 1 . . . parsed_2ld5 1
44 1 . . . parsed_2ld5 1
45 1 . . . parsed_2ld5 1
46 1 . . . parsed_2ld5 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . A 53 . HG2# parsed_2ld5 1
1 1 2 . . . . . . . . B 19 . H7# parsed_2ld5 1
2 1 1 . . . . . . . . A 53 . HG2# parsed_2ld5 1
2 1 2 . . . . . . . . B 20 . H7# parsed_2ld5 1
3 1 1 . . . . . . . . A 53 . HG2# parsed_2ld5 1
3 1 2 . . . . . . . . B 18 . H8 parsed_2ld5 1
4 1 1 . . . . . . . . A 53 . HG2# parsed_2ld5 1
4 1 2 . . . . . . . . B 19 . H6 parsed_2ld5 1
5 1 1 . . . . . . . . A 53 . HD1# parsed_2ld5 1
5 1 2 . . . . . . . . B 18 . H8 parsed_2ld5 1
6 1 1 . . . . . . . . A 53 . HD1# parsed_2ld5 1
6 1 2 . . . . . . . . B 18 . H1' parsed_2ld5 1
7 1 1 . . . . . . . . A 53 . HD1# parsed_2ld5 1
7 1 2 . . . . . . . . B 19 . H6 parsed_2ld5 1
8 1 1 . . . . . . . . A 53 . HD1# parsed_2ld5 1
8 1 2 . . . . . . . . B 19 . H7# parsed_2ld5 1
9 1 1 . . . . . . . . A 53 . HD1# parsed_2ld5 1
9 1 2 . . . . . . . . B 20 . H7# parsed_2ld5 1
10 1 1 . . . . . . . . A 53 . HB parsed_2ld5 1
10 1 2 . . . . . . . . B 19 . H7# parsed_2ld5 1
11 1 1 . . . . . . . . A 53 . HG1# parsed_2ld5 1
11 1 2 . . . . . . . . B 19 . H7# parsed_2ld5 1
12 1 1 . . . . . . . . A 57 . HB# parsed_2ld5 1
12 1 2 . . . . . . . . B 17 . H7# parsed_2ld5 1
13 1 1 . . . . . . . . A 57 . OD1 parsed_2ld5 1
13 1 2 . . . . . . . . B 17 . H7# parsed_2ld5 1
14 1 1 . . . . . . . . A 57 . OD1 parsed_2ld5 1
14 1 2 . . . . . . . . B 18 . H61 parsed_2ld5 1
15 1 1 . . . . . . . . A 60 . HG2# parsed_2ld5 1
15 1 2 . . . . . . . . B 17 . H7# parsed_2ld5 1
16 1 1 . . . . . . . . A 60 . HG2# parsed_2ld5 1
16 1 2 . . . . . . . . B 16 . H7# parsed_2ld5 1
17 1 1 . . . . . . . . A 60 . HG2# parsed_2ld5 1
17 1 2 . . . . . . . . B 5 . H7# parsed_2ld5 1
18 1 1 . . . . . . . . A 60 . HG2# parsed_2ld5 1
18 1 2 . . . . . . . . B 4 . H8 parsed_2ld5 1
19 1 1 . . . . . . . . A 60 . HG2# parsed_2ld5 1
19 1 2 . . . . . . . . B 4 . H2'' parsed_2ld5 1
20 1 1 . . . . . . . . A 60 . HG1# parsed_2ld5 1
20 1 2 . . . . . . . . B 17 . H7# parsed_2ld5 1
21 1 1 . . . . . . . . A 60 . HG1# parsed_2ld5 1
21 1 2 . . . . . . . . B 4 . H8 parsed_2ld5 1
22 1 1 . . . . . . . . A 60 . HG1# parsed_2ld5 1
22 1 2 . . . . . . . . B 4 . H2 parsed_2ld5 1
23 1 1 . . . . . . . . A 63 . HE# parsed_2ld5 1
23 1 2 . . . . . . . . B 5 . H7# parsed_2ld5 1
24 1 1 . . . . . . . . A 63 . HE# parsed_2ld5 1
24 1 2 . . . . . . . . B 5 . H6 parsed_2ld5 1
25 1 1 . . . . . . . . A 64 . HB# parsed_2ld5 1
25 1 2 . . . . . . . . B 16 . H7# parsed_2ld5 1
26 1 1 . . . . . . . . A 9 . HB# parsed_2ld5 1
26 1 2 . . . . . . . . B 16 . H7# parsed_2ld5 1
27 1 1 . . . . . . . . A 9 . HB# parsed_2ld5 1
27 1 2 . . . . . . . . B 16 . H1' parsed_2ld5 1
28 1 1 . . . . . . . . A 9 . HB# parsed_2ld5 1
28 1 2 . . . . . . . . B 16 . H4' parsed_2ld5 1
29 1 1 . . . . . . . . A 9 . HG# parsed_2ld5 1
29 1 2 . . . . . . . . B 16 . H4' parsed_2ld5 1
30 1 1 . . . . . . . . A 9 . HG# parsed_2ld5 1
30 1 2 . . . . . . . . B 16 . H5' parsed_2ld5 1
31 1 1 . . . . . . . . A 9 . HD# parsed_2ld5 1
31 1 2 . . . . . . . . B 16 . H5' parsed_2ld5 1
32 1 1 . . . . . . . . A 11 . HB# parsed_2ld5 1
32 1 2 . . . . . . . . B 8 . H4' parsed_2ld5 1
33 1 1 . . . . . . . . A 11 . HB# parsed_2ld5 1
33 1 2 . . . . . . . . B 8 . O3' parsed_2ld5 1
34 1 1 . . . . . . . . A 11 . HG# parsed_2ld5 1
34 1 2 . . . . . . . . B 17 . H1' parsed_2ld5 1
35 1 1 . . . . . . . . A 11 . HG# parsed_2ld5 1
35 1 2 . . . . . . . . B 17 . H4' parsed_2ld5 1
36 1 1 . . . . . . . . A 11 . HD# parsed_2ld5 1
36 1 2 . . . . . . . . B 8 . H1' parsed_2ld5 1
37 1 1 . . . . . . . . A 14 . HD# parsed_2ld5 1
37 1 2 . . . . . . . . B 18 . H5' parsed_2ld5 1
38 1 1 . . . . . . . . A 14 . HD# parsed_2ld5 1
38 1 2 . . . . . . . . B 18 . H5'' parsed_2ld5 1
39 1 1 . . . . . . . . A 68 . HB# parsed_2ld5 1
39 1 2 . . . . . . . . A 65 . HA parsed_2ld5 1
40 1 1 . . . . . . . . A 68 . HN parsed_2ld5 1
40 1 2 . . . . . . . . A 65 . HA parsed_2ld5 1
41 1 1 . . . . . . . . A 67 . HB# parsed_2ld5 1
41 1 2 . . . . . . . . A 64 . HA parsed_2ld5 1
42 1 1 . . . . . . . . A 67 . HN parsed_2ld5 1
42 1 2 . . . . . . . . A 64 . HA parsed_2ld5 1
43 1 1 . . . . . . . . A 66 . HB# parsed_2ld5 1
43 1 2 . . . . . . . . A 63 . HA parsed_2ld5 1
44 1 1 . . . . . . . . A 66 . HN parsed_2ld5 1
44 1 2 . . . . . . . . A 63 . HA parsed_2ld5 1
45 1 1 . . . . . . . . A 65 . HB parsed_2ld5 1
45 1 2 . . . . . . . . A 62 . HA parsed_2ld5 1
46 1 1 . . . . . . . . A 65 . HN parsed_2ld5 1
46 1 2 . . . . . . . . A 62 . HA parsed_2ld5 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
2 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
3 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
4 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
5 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
6 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
7 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
8 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
9 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
10 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
11 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
12 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
13 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
14 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
15 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
16 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
17 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
18 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
19 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
20 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
21 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
22 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
23 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
24 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
25 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
26 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
27 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
28 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
29 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
30 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
31 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
32 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
33 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
34 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
35 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
36 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
37 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
38 1 . . . . . 2.0 0.0 2.0 parsed_2ld5 1
39 1 . . . . . 3.3 2.3 4.3 parsed_2ld5 1
40 1 . . . . . 3.3 2.3 3.3 parsed_2ld5 1
41 1 . . . . . 3.3 2.3 4.3 parsed_2ld5 1
42 1 . . . . . 3.3 2.3 3.3 parsed_2ld5 1
43 1 . . . . . 3.3 2.3 4.3 parsed_2ld5 1
44 1 . . . . . 3.3 2.3 3.3 parsed_2ld5 1
45 1 . . . . . 3.3 2.3 3.3 parsed_2ld5 1
46 1 . . . . . 3.3 2.3 4.3 parsed_2ld5 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
segid A: my protein (K9, R11, T14, I53, N57, V60, K63, K64)
segid B: my DNA (A4, T5, A8, T16, T17, A18, T19, T20)
;
1 1 2 56 parsed_2ld5 1
2 IntraNOEs 45 1 45 11 parsed_2ld5 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ld5
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 63 . C A 64 . N A 64 . CA A 64 . C parsed_2ld5 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 64 . C A 65 . N A 65 . CA A 65 . C parsed_2ld5 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 65 . C A 66 . N A 66 . CA A 66 . C parsed_2ld5 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 66 . C A 67 . N A 67 . CA A 67 . C parsed_2ld5 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . A 67 . C A 68 . N A 68 . CA A 68 . C parsed_2ld5 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 64 . N A 64 . CA A 64 . C A 65 . N parsed_2ld5 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 65 . N A 65 . CA A 65 . C A 66 . N parsed_2ld5 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 66 . N A 66 . CA A 66 . C A 67 . N parsed_2ld5 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . A 67 . N A 67 . CA A 67 . C A 68 . N parsed_2ld5 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
;
dihedral angles
52. K 64 Phi
;
1 1 2 16 parsed_2ld5 1
2 "53. V 65 Phi" 5 1 5 16 parsed_2ld5 1
3 "54. I 66 Phi" 8 1 8 16 parsed_2ld5 1
4 "55. N 67 Phi" 11 1 11 16 parsed_2ld5 1
5 "56. K 68 Phi" 14 1 14 16 parsed_2ld5 1
6 "107. K 64 Psi" 18 1 18 17 parsed_2ld5 1
7 "108. V 65 Psi" 21 1 21 17 parsed_2ld5 1
8 "109. I 66 Psi" 24 1 24 17 parsed_2ld5 1
9 "110. N 67 Psi" 27 1 27 17 parsed_2ld5 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ld5
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2ld5 2
2 1 . . . parsed_2ld5 2
3 1 . . . parsed_2ld5 2
4 1 . . . parsed_2ld5 2
5 1 . . . parsed_2ld5 2
6 1 . . . parsed_2ld5 2
7 1 . . . parsed_2ld5 2
8 1 . . . parsed_2ld5 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . A 59 . O parsed_2ld5 2
1 1 2 . . . . . . . . A 63 . N parsed_2ld5 2
2 1 1 . . . . . . . . A 59 . O parsed_2ld5 2
2 1 2 . . . . . . . . A 63 . HN parsed_2ld5 2
3 1 1 . . . . . . . . A 60 . O parsed_2ld5 2
3 1 2 . . . . . . . . A 64 . N parsed_2ld5 2
4 1 1 . . . . . . . . A 60 . O parsed_2ld5 2
4 1 2 . . . . . . . . A 64 . HN parsed_2ld5 2
5 1 1 . . . . . . . . A 61 . O parsed_2ld5 2
5 1 2 . . . . . . . . A 65 . N parsed_2ld5 2
6 1 1 . . . . . . . . A 61 . O parsed_2ld5 2
6 1 2 . . . . . . . . A 65 . HN parsed_2ld5 2
7 1 1 . . . . . . . . A 62 . O parsed_2ld5 2
7 1 2 . . . . . . . . A 66 . N parsed_2ld5 2
8 1 1 . . . . . . . . A 62 . O parsed_2ld5 2
8 1 2 . . . . . . . . A 66 . HN parsed_2ld5 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.3 3.3 3.3 parsed_2ld5 2
2 1 . . . . . 2.3 2.3 2.3 parsed_2ld5 2
3 1 . . . . . 3.3 3.3 3.3 parsed_2ld5 2
4 1 . . . . . 2.3 2.3 2.3 parsed_2ld5 2
5 1 . . . . . 3.3 3.3 3.3 parsed_2ld5 2
6 1 . . . . . 2.3 2.3 2.3 parsed_2ld5 2
7 1 . . . . . 3.3 3.3 3.3 parsed_2ld5 2
8 1 . . . . . 2.3 2.3 2.3 parsed_2ld5 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 H-bond 1 1 1 8 parsed_2ld5 2
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ld5
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . -10.05 . . . . A 17 . N A 17 . HN parsed_2ld5 1
2 . . . . . . . . . . . . . . . . -16.09 . . . . A 20 . N A 20 . HN parsed_2ld5 1
3 . . . . . . . . . . . . . . . . -6.202 . . . . A 21 . N A 21 . HN parsed_2ld5 1
4 . . . . . . . . . . . . . . . . -30.765 . . . . A 22 . N A 22 . HN parsed_2ld5 1
5 . . . . . . . . . . . . . . . . -25.761 . . . . A 23 . N A 23 . HN parsed_2ld5 1
6 . . . . . . . . . . . . . . . . -1.72 . . . . A 24 . N A 24 . HN parsed_2ld5 1
7 . . . . . . . . . . . . . . . . -24.749 . . . . A 26 . N A 26 . HN parsed_2ld5 1
8 . . . . . . . . . . . . . . . . -6.287 . . . . A 27 . N A 27 . HN parsed_2ld5 1
9 . . . . . . . . . . . . . . . . -15.719 . . . . A 35 . N A 35 . HN parsed_2ld5 1
10 . . . . . . . . . . . . . . . . -23.676 . . . . A 37 . N A 37 . HN parsed_2ld5 1
11 . . . . . . . . . . . . . . . . -18.96 . . . . A 39 . N A 39 . HN parsed_2ld5 1
12 . . . . . . . . . . . . . . . . -12.285 . . . . A 40 . N A 40 . HN parsed_2ld5 1
13 . . . . . . . . . . . . . . . . -11.52 . . . . A 43 . N A 43 . HN parsed_2ld5 1
14 . . . . . . . . . . . . . . . . -26.381 . . . . A 44 . N A 44 . HN parsed_2ld5 1
15 . . . . . . . . . . . . . . . . 3.486 . . . . A 49 . N A 49 . HN parsed_2ld5 1
16 . . . . . . . . . . . . . . . . 11.149 . . . . A 50 . N A 50 . HN parsed_2ld5 1
17 . . . . . . . . . . . . . . . . -10.228 . . . . A 51 . N A 51 . HN parsed_2ld5 1
18 . . . . . . . . . . . . . . . . -2.555 . . . . A 52 . N A 52 . HN parsed_2ld5 1
19 . . . . . . . . . . . . . . . . 7.068 . . . . A 53 . N A 53 . HN parsed_2ld5 1
20 . . . . . . . . . . . . . . . . 5.797 . . . . A 54 . N A 54 . HN parsed_2ld5 1
21 . . . . . . . . . . . . . . . . -14.768 . . . . A 55 . N A 55 . HN parsed_2ld5 1
22 . . . . . . . . . . . . . . . . 9.962 . . . . A 57 . N A 57 . HN parsed_2ld5 1
23 . . . . . . . . . . . . . . . . -11.64 . . . . A 58 . N A 58 . HN parsed_2ld5 1
24 . . . . . . . . . . . . . . . . 2.635 . . . . A 60 . N A 60 . HN parsed_2ld5 1
25 . . . . . . . . . . . . . . . . -16.536 . . . . A 62 . N A 62 . HN parsed_2ld5 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 RDC 1 1 1 5 parsed_2ld5 1
stop_
save_
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