Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
494597 | 2kxx RC | 16926 | cing | 2-parsed | STAR | entry | full | 118 |
data_2kxx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kxx
_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_2kxx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kxx
_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 2kxx "Master copy" parsed_2kxx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kxx
_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 2kxx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kxx 1
1 2kxx.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 98 parsed_2kxx 1
1 2kxx.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 20 parsed_2kxx 1
1 2kxx.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kxx 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_2kxx
_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 PROTEIN BINDING 13-MAY-10 2KXX
*TITLE NMR STRUCTURE OF ESCHERICHIA COLI BAME, A LIPOPROTEIN COMPONENT OF THE
*TITLE 2 β-BARREL ASSEMBLY MACHINERY COMPLEX
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: SMALL PROTEIN A;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12;
*SOURCE 3 ORGANISM_TAXID: 83333;
*SOURCE 4 STRAIN: K12;
*SOURCE 5 GENE: B2617, JW2598, SMPA;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET28A
*KEYWDS E COLI PROTEIN, LIPOPROTEIN, PROTEIN BINDING
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR K.KIM, M.OKON, E.ESCOBAR, H.KANG, L.MCINTOSH, M.PAETZEL
*REVDAT 1 12-JAN-11 2KXX 0
;
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kxx
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.87 -69.51 . . 2 SER . . . . . . . . . . . . . parsed_2kxx 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.82 192.22 . . 2 SER . . . . . . . . . . . . . parsed_2kxx 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.58 -60.46 . . 12 TYR . . . . . . . . . . . . . parsed_2kxx 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.27 145.47 . . 12 TYR . . . . . . . . . . . . . parsed_2kxx 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.5 -43.7 . . 13 ARG . . . . . . . . . . . . . parsed_2kxx 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.73 180.89 . . 13 ARG . . . . . . . . . . . . . parsed_2kxx 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.1 -38.5 . . 22 LEU . . . . . . . . . . . . . parsed_2kxx 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.7 182.94 . . 22 LEU . . . . . . . . . . . . . parsed_2kxx 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.84 -58.52 . . 23 THR . . . . . . . . . . . . . parsed_2kxx 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 159.56 180.4 . . 23 THR . . . . . . . . . . . . . parsed_2kxx 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.46 -42.38 . . 24 ALA . . . . . . . . . . . . . parsed_2kxx 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.82 -13.9 . . 24 ALA . . . . . . . . . . . . . parsed_2kxx 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.26 -53.22 . . 25 ASN . . . . . . . . . . . . . parsed_2kxx 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.27 -32.35 . . 25 ASN . . . . . . . . . . . . . parsed_2kxx 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.69 -53.65 . . 26 ASP . . . . . . . . . . . . . parsed_2kxx 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57 -29.72 . . 26 ASP . . . . . . . . . . . . . parsed_2kxx 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.87 -51.55 . . 28 SER . . . . . . . . . . . . . parsed_2kxx 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.27 -8.79 . . 28 SER . . . . . . . . . . . . . parsed_2kxx 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.28 -41.64 . . 29 LYS . . . . . . . . . . . . . parsed_2kxx 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.86 8.1 . . 29 LYS . . . . . . . . . . . . . parsed_2kxx 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.46 -77.7 . . 31 ARG . . . . . . . . . . . . . parsed_2kxx 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.38 189.14 . . 31 ARG . . . . . . . . . . . . . parsed_2kxx 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.26 105.3 . . 33 GLY . . . . . . . . . . . . . parsed_2kxx 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.19 -4.43 . . 33 GLY . . . . . . . . . . . . . parsed_2kxx 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.15 -27.03 . . 34 MET . . . . . . . . . . . . . parsed_2kxx 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.13 177.49 . . 34 MET . . . . . . . . . . . . . parsed_2kxx 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.75 -62.07 . . 35 THR . . . . . . . . . . . . . parsed_2kxx 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148.1 182.06 . . 35 THR . . . . . . . . . . . . . parsed_2kxx 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.75 -55.59 . . 36 GLN . . . . . . . . . . . . . parsed_2kxx 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.28 -23.12 . . 36 GLN . . . . . . . . . . . . . parsed_2kxx 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.28 -56.24 . . 37 GLN . . . . . . . . . . . . . parsed_2kxx 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.18 -27.5 . . 37 GLN . . . . . . . . . . . . . parsed_2kxx 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77 -54.56 . . 38 GLN . . . . . . . . . . . . . parsed_2kxx 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.68 -24.56 . . 38 GLN . . . . . . . . . . . . . parsed_2kxx 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.43 -55.75 . . 39 VAL . . . . . . . . . . . . . parsed_2kxx 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.71 -33.15 . . 39 VAL . . . . . . . . . . . . . parsed_2kxx 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.6 -51.36 . . 40 ALA . . . . . . . . . . . . . parsed_2kxx 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.67 -25.35 . . 40 ALA . . . . . . . . . . . . . parsed_2kxx 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.89 -52.69 . . 41 TYR . . . . . . . . . . . . . parsed_2kxx 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.09 -23.65 . . 41 TYR . . . . . . . . . . . . . parsed_2kxx 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.71 -49.23 . . 42 ALA . . . . . . . . . . . . . parsed_2kxx 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.5 -6.58 . . 42 ALA . . . . . . . . . . . . . parsed_2kxx 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.52 -59.12 . . 43 LEU . . . . . . . . . . . . . parsed_2kxx 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.8 34.64 . . 43 LEU . . . . . . . . . . . . . parsed_2kxx 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.32 -56.8 . . 45 THR . . . . . . . . . . . . . parsed_2kxx 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.99 145.91 . . 45 THR . . . . . . . . . . . . . parsed_2kxx 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63.68 111.36 . . 53 GLY . . . . . . . . . . . . . parsed_2kxx 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.48 46.56 . . 53 GLY . . . . . . . . . . . . . parsed_2kxx 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.25 -81.37 . . 54 THR . . . . . . . . . . . . . parsed_2kxx 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.6 189.08 . . 54 THR . . . . . . . . . . . . . parsed_2kxx 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.8 -98 . . 56 THR . . . . . . . . . . . . . parsed_2kxx 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.96 154.52 . . 56 THR . . . . . . . . . . . . . parsed_2kxx 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.83 -104.23 . . 57 TRP . . . . . . . . . . . . . parsed_2kxx 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.98 172.54 . . 57 TRP . . . . . . . . . . . . . parsed_2kxx 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.54 -89.14 . . 58 PHE . . . . . . . . . . . . . parsed_2kxx 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123 162.52 . . 58 PHE . . . . . . . . . . . . . parsed_2kxx 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.67 -95.95 . . 59 TYR . . . . . . . . . . . . . parsed_2kxx 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.43 172.47 . . 59 TYR . . . . . . . . . . . . . parsed_2kxx 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.2 -67.44 . . 60 VAL . . . . . . . . . . . . . parsed_2kxx 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.7 164.86 . . 60 VAL . . . . . . . . . . . . . parsed_2kxx 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.15 -98.91 . . 61 PHE . . . . . . . . . . . . . parsed_2kxx 1
62 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.12 172.96 . . 61 PHE . . . . . . . . . . . . . parsed_2kxx 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.03 -48.11 . . 62 ARG . . . . . . . . . . . . . parsed_2kxx 1
64 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.37 169.85 . . 62 ARG . . . . . . . . . . . . . parsed_2kxx 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.55 -70.55 . . 73 GLN . . . . . . . . . . . . . parsed_2kxx 1
66 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.46 173.46 . . 73 GLN . . . . . . . . . . . . . parsed_2kxx 1
67 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.39 -81.87 . . 74 THR . . . . . . . . . . . . . parsed_2kxx 1
68 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 144.56 . . 74 THR . . . . . . . . . . . . . parsed_2kxx 1
69 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.61 -106.97 . . 75 LEU . . . . . . . . . . . . . parsed_2kxx 1
70 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.9 146.46 . . 75 LEU . . . . . . . . . . . . . parsed_2kxx 1
71 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.88 -92.96 . . 76 THR . . . . . . . . . . . . . parsed_2kxx 1
72 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.95 145.91 . . 76 THR . . . . . . . . . . . . . parsed_2kxx 1
73 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.18 -76.5 . . 77 LEU . . . . . . . . . . . . . parsed_2kxx 1
74 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.04 153.08 . . 77 LEU . . . . . . . . . . . . . parsed_2kxx 1
75 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.81 -82.53 . . 78 THR . . . . . . . . . . . . . parsed_2kxx 1
76 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.05 166.33 . . 78 THR . . . . . . . . . . . . . parsed_2kxx 1
77 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.57 -86.81 . . 79 PHE . . . . . . . . . . . . . parsed_2kxx 1
78 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.45 156.77 . . 79 PHE . . . . . . . . . . . . . parsed_2kxx 1
79 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.54 -56.34 . . 80 ASN . . . . . . . . . . . . . parsed_2kxx 1
80 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.14 196.9 . . 80 ASN . . . . . . . . . . . . . parsed_2kxx 1
81 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.35 -48.19 . . 81 SER . . . . . . . . . . . . . parsed_2kxx 1
82 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.45 -8.61 . . 81 SER . . . . . . . . . . . . . parsed_2kxx 1
83 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.88 -68 . . 82 SER . . . . . . . . . . . . . parsed_2kxx 1
84 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.92 19.8 . . 82 SER . . . . . . . . . . . . . parsed_2kxx 1
85 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.37 -55.37 . . 84 VAL . . . . . . . . . . . . . parsed_2kxx 1
86 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.17 152.25 . . 84 VAL . . . . . . . . . . . . . parsed_2kxx 1
87 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.14 -48.42 . . 85 LEU . . . . . . . . . . . . . parsed_2kxx 1
88 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.54 169.7 . . 85 LEU . . . . . . . . . . . . . parsed_2kxx 1
89 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.33 -96.61 . . 87 ASN . . . . . . . . . . . . . parsed_2kxx 1
90 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.5 164.34 . . 87 ASN . . . . . . . . . . . . . parsed_2kxx 1
91 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.16 -70.52 . . 88 ILE . . . . . . . . . . . . . parsed_2kxx 1
92 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.5 147.58 . . 88 ILE . . . . . . . . . . . . . parsed_2kxx 1
93 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.26 -80.14 . . 89 ASP . . . . . . . . . . . . . parsed_2kxx 1
94 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.36 144.48 . . 89 ASP . . . . . . . . . . . . . parsed_2kxx 1
95 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.41 -78.37 . . 90 ASN . . . . . . . . . . . . . parsed_2kxx 1
96 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.11 157.27 . . 90 ASN . . . . . . . . . . . . . parsed_2kxx 1
97 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.43 -60.27 . . 91 LYS . . . . . . . . . . . . . parsed_2kxx 1
98 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.91 184.03 . . 91 LYS . . . . . . . . . . . . . parsed_2kxx 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kxx
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_2kxx 1
2 1 . . . parsed_2kxx 1
3 1 . . . parsed_2kxx 1
4 1 . . . parsed_2kxx 1
5 1 . . . parsed_2kxx 1
6 1 . . . parsed_2kxx 1
7 1 . . . parsed_2kxx 1
8 1 . . . parsed_2kxx 1
9 1 . . . parsed_2kxx 1
10 1 . . . parsed_2kxx 1
11 1 . . . parsed_2kxx 1
12 1 . . . parsed_2kxx 1
13 1 . . . parsed_2kxx 1
14 1 . . . parsed_2kxx 1
15 1 . . . parsed_2kxx 1
16 1 . . . parsed_2kxx 1
17 1 . . . parsed_2kxx 1
18 1 . . . parsed_2kxx 1
19 1 . . . parsed_2kxx 1
20 1 . . . parsed_2kxx 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 . . . . . . . . . 57 TRP O parsed_2kxx 1
1 1 2 . . . . . . . . . 77 LEU N parsed_2kxx 1
2 1 1 . . . . . . . . . 57 TRP O parsed_2kxx 1
2 1 2 . . . . . . . . . 77 LEU HN parsed_2kxx 1
3 1 1 . . . . . . . . . 77 LEU O parsed_2kxx 1
3 1 2 . . . . . . . . . 57 TRP N parsed_2kxx 1
4 1 1 . . . . . . . . . 77 LEU O parsed_2kxx 1
4 1 2 . . . . . . . . . 57 TRP HN parsed_2kxx 1
5 1 1 . . . . . . . . . 59 TYR O parsed_2kxx 1
5 1 2 . . . . . . . . . 75 LEU N parsed_2kxx 1
6 1 1 . . . . . . . . . 59 TYR O parsed_2kxx 1
6 1 2 . . . . . . . . . 75 LEU HN parsed_2kxx 1
7 1 1 . . . . . . . . . 75 LEU O parsed_2kxx 1
7 1 2 . . . . . . . . . 59 TYR N parsed_2kxx 1
8 1 1 . . . . . . . . . 75 LEU O parsed_2kxx 1
8 1 2 . . . . . . . . . 59 TYR HN parsed_2kxx 1
9 1 1 . . . . . . . . . 78 THR O parsed_2kxx 1
9 1 2 . . . . . . . . . 87 ASN N parsed_2kxx 1
10 1 1 . . . . . . . . . 78 THR O parsed_2kxx 1
10 1 2 . . . . . . . . . 87 ASN HN parsed_2kxx 1
11 1 1 . . . . . . . . . 87 ASN O parsed_2kxx 1
11 1 2 . . . . . . . . . 78 THR N parsed_2kxx 1
12 1 1 . . . . . . . . . 87 ASN O parsed_2kxx 1
12 1 2 . . . . . . . . . 78 THR HN parsed_2kxx 1
13 1 1 . . . . . . . . . 76 THR O parsed_2kxx 1
13 1 2 . . . . . . . . . 89 ASP N parsed_2kxx 1
14 1 1 . . . . . . . . . 76 THR O parsed_2kxx 1
14 1 2 . . . . . . . . . 89 ASP HN parsed_2kxx 1
15 1 1 . . . . . . . . . 89 ASP O parsed_2kxx 1
15 1 2 . . . . . . . . . 76 THR N parsed_2kxx 1
16 1 1 . . . . . . . . . 89 ASP O parsed_2kxx 1
16 1 2 . . . . . . . . . 76 THR HN parsed_2kxx 1
17 1 1 . . . . . . . . . 74 THR O parsed_2kxx 1
17 1 2 . . . . . . . . . 91 LYS N parsed_2kxx 1
18 1 1 . . . . . . . . . 74 THR O parsed_2kxx 1
18 1 2 . . . . . . . . . 91 LYS HN parsed_2kxx 1
19 1 1 . . . . . . . . . 91 LYS O parsed_2kxx 1
19 1 2 . . . . . . . . . 74 THR N parsed_2kxx 1
20 1 1 . . . . . . . . . 91 LYS O parsed_2kxx 1
20 1 2 . . . . . . . . . 74 THR HN parsed_2kxx 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 . . . . . . . 2.70 parsed_2kxx 1
2 1 . . . . . . . 1.80 parsed_2kxx 1
3 1 . . . . . . . 2.70 parsed_2kxx 1
4 1 . . . . . . . 1.80 parsed_2kxx 1
5 1 . . . . . . . 2.70 parsed_2kxx 1
6 1 . . . . . . . 1.80 parsed_2kxx 1
7 1 . . . . . . . 2.70 parsed_2kxx 1
8 1 . . . . . . . 1.80 parsed_2kxx 1
9 1 . . . . . . . 2.70 parsed_2kxx 1
10 1 . . . . . . . 1.80 parsed_2kxx 1
11 1 . . . . . . . 2.70 parsed_2kxx 1
12 1 . . . . . . . 1.80 parsed_2kxx 1
13 1 . . . . . . . 2.70 parsed_2kxx 1
14 1 . . . . . . . 1.80 parsed_2kxx 1
15 1 . . . . . . . 2.70 parsed_2kxx 1
16 1 . . . . . . . 1.80 parsed_2kxx 1
17 1 . . . . . . . 2.70 parsed_2kxx 1
18 1 . . . . . . . 1.80 parsed_2kxx 1
19 1 . . . . . . . 2.70 parsed_2kxx 1
20 1 . . . . . . . 1.80 parsed_2kxx 1
stop_
save_