NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
563699 |
2luw   |
18338 | cing | 2-parsed | STAR | entry | full | 138 |
data_2luw_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2luw
_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_2luw 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2luw
_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 2luw "Master copy" parsed_2luw
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2luw
_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 2luw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2luw 1
1 2luw.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 104 parsed_2luw 1
1 2luw.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 34 parsed_2luw 1
1 2luw.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2luw 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_2luw
_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 HYDROLASE 21-JUN-12 2LUW
*TITLE SOLUTION STRUCTURE OF VEP C-TER 100
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: METALLOPROTEASE;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: C-TERMINAL RESIDUES 509-609;
*COMPND 5 SYNONYM: ZINC METALLOPROTEASE;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO VULNIFICUS;
*SOURCE 3 ORGANISM_TAXID: 672;
*SOURCE 4 GENE: VVP;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PET32A
*KEYWDS ANTI-PARALLEL BETA-SHEETS, HYDROLASE
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR J.YUN, W.LEE
*REVDAT 1 26-JUN-13 2LUW 0
;
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2luw
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.010 -94.710 . . 3 VAL . . . . . . . . . . . . . parsed_2luw 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.810 143.870 . . 3 VAL . . . . . . . . . . . . . parsed_2luw 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.020 -99.220 . . 4 LEU . . . . . . . . . . . . . parsed_2luw 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.730 145.110 . . 4 LEU . . . . . . . . . . . . . parsed_2luw 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.320 -50.380 . . 6 ASN . . . . . . . . . . . . . parsed_2luw 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.030 149.330 . . 6 ASN . . . . . . . . . . . . . parsed_2luw 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.260 -94.660 . . 8 THR . . . . . . . . . . . . . parsed_2luw 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.090 172.630 . . 8 THR . . . . . . . . . . . . . parsed_2luw 1
9 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.270 152.850 . . 9 PRO . . . . . . . . . . . . . parsed_2luw 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.580 -77.760 . . 10 VAL . . . . . . . . . . . . . parsed_2luw 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.130 149.210 . . 10 VAL . . . . . . . . . . . . . parsed_2luw 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.540 -76.200 . . 11 SER . . . . . . . . . . . . . parsed_2luw 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.580 194.840 . . 11 SER . . . . . . . . . . . . . parsed_2luw 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.470 -109.930 . . 14 THR . . . . . . . . . . . . . parsed_2luw 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.520 165.480 . . 14 THR . . . . . . . . . . . . . parsed_2luw 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.380 -78.780 . . 16 ASN . . . . . . . . . . . . . parsed_2luw 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.570 158.510 . . 16 ASN . . . . . . . . . . . . . parsed_2luw 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.480 -117.120 . . 21 VAL . . . . . . . . . . . . . parsed_2luw 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.190 160.370 . . 21 VAL . . . . . . . . . . . . . parsed_2luw 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.350 -111.370 . . 22 PHE . . . . . . . . . . . . . parsed_2luw 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.370 155.590 . . 22 PHE . . . . . . . . . . . . . parsed_2luw 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.010 -121.490 . . 23 TYR . . . . . . . . . . . . . parsed_2luw 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.370 162.290 . . 23 TYR . . . . . . . . . . . . . parsed_2luw 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.990 -100.930 . . 24 THR . . . . . . . . . . . . . parsed_2luw 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.110 170.330 . . 24 THR . . . . . . . . . . . . . parsed_2luw 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.450 -120.430 . . 25 PHE . . . . . . . . . . . . . parsed_2luw 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.330 162.330 . . 25 PHE . . . . . . . . . . . . . parsed_2luw 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.740 -127.320 . . 26 THR . . . . . . . . . . . . . parsed_2luw 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 149.890 169.890 . . 26 THR . . . . . . . . . . . . . parsed_2luw 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.120 -109.320 . . 27 VAL . . . . . . . . . . . . . parsed_2luw 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.100 169.740 . . 27 VAL . . . . . . . . . . . . . parsed_2luw 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.920 -51.500 . . 30 ASN . . . . . . . . . . . . . parsed_2luw 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.910 153.750 . . 30 ASN . . . . . . . . . . . . . parsed_2luw 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.690 -90.690 . . 31 ALA . . . . . . . . . . . . . parsed_2luw 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.950 144.850 . . 31 ALA . . . . . . . . . . . . . parsed_2luw 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.830 -94.830 . . 32 THR . . . . . . . . . . . . . parsed_2luw 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.850 132.850 . . 32 THR . . . . . . . . . . . . . parsed_2luw 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.200 -90.900 . . 33 ALA . . . . . . . . . . . . . parsed_2luw 1
39 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.210 145.510 . . 33 ALA . . . . . . . . . . . . . parsed_2luw 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.010 -108.010 . . 34 VAL . . . . . . . . . . . . . parsed_2luw 1
41 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.190 134.190 . . 34 VAL . . . . . . . . . . . . . parsed_2luw 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.880 -98.600 . . 35 VAL . . . . . . . . . . . . . parsed_2luw 1
43 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.150 138.150 . . 35 VAL . . . . . . . . . . . . . parsed_2luw 1
44 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.360 -100.100 . . 36 SER . . . . . . . . . . . . . parsed_2luw 1
45 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144.690 165.050 . . 36 SER . . . . . . . . . . . . . parsed_2luw 1
46 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.430 -112.250 . . 37 ILE . . . . . . . . . . . . . parsed_2luw 1
47 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.780 171.600 . . 37 ILE . . . . . . . . . . . . . parsed_2luw 1
48 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.720 -104.060 . . 41 SER . . . . . . . . . . . . . parsed_2luw 1
49 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.220 161.220 . . 41 SER . . . . . . . . . . . . . parsed_2luw 1
50 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.110 -86.030 . . 44 ALA . . . . . . . . . . . . . parsed_2luw 1
51 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.450 130.950 . . 44 ALA . . . . . . . . . . . . . parsed_2luw 1
52 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.920 -92.440 . . 46 LEU . . . . . . . . . . . . . parsed_2luw 1
53 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.630 156.910 . . 46 LEU . . . . . . . . . . . . . parsed_2luw 1
54 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.670 -120.590 . . 47 TYR . . . . . . . . . . . . . parsed_2luw 1
55 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.750 158.010 . . 47 TYR . . . . . . . . . . . . . parsed_2luw 1
56 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.610 -127.230 . . 48 LEU . . . . . . . . . . . . . parsed_2luw 1
57 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.400 153.780 . . 48 LEU . . . . . . . . . . . . . parsed_2luw 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144.050 166.430 . . 54 PRO . . . . . . . . . . . . . parsed_2luw 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.640 -87.500 . . 55 THR . . . . . . . . . . . . . parsed_2luw 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.190 178.190 . . 55 THR . . . . . . . . . . . . . parsed_2luw 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.670 -93.650 . . 57 SER . . . . . . . . . . . . . parsed_2luw 1
62 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.470 2.930 . . 57 SER . . . . . . . . . . . . . parsed_2luw 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.480 -58.180 . . 58 SER . . . . . . . . . . . . . parsed_2luw 1
64 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.120 160.120 . . 58 SER . . . . . . . . . . . . . parsed_2luw 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.260 -80.560 . . 59 TRP . . . . . . . . . . . . . parsed_2luw 1
66 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154.800 180.060 . . 59 TRP . . . . . . . . . . . . . parsed_2luw 1
67 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.600 -117.780 . . 61 CYS . . . . . . . . . . . . . parsed_2luw 1
68 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.750 155.710 . . 61 CYS . . . . . . . . . . . . . parsed_2luw 1
69 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.280 -103.600 . . 71 SER . . . . . . . . . . . . . parsed_2luw 1
70 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.400 161.580 . . 71 SER . . . . . . . . . . . . . parsed_2luw 1
71 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.250 -124.770 . . 72 CYS . . . . . . . . . . . . . parsed_2luw 1
72 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.530 161.970 . . 72 CYS . . . . . . . . . . . . . parsed_2luw 1
73 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.850 -83.050 . . 73 SER . . . . . . . . . . . . . parsed_2luw 1
74 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.160 139.060 . . 73 SER . . . . . . . . . . . . . parsed_2luw 1
75 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.210 -111.250 . . 74 VAL . . . . . . . . . . . . . parsed_2luw 1
76 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.750 152.390 . . 74 VAL . . . . . . . . . . . . . parsed_2luw 1
77 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.490 -71.090 . . 75 SER . . . . . . . . . . . . . parsed_2luw 1
78 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.700 138.580 . . 75 SER . . . . . . . . . . . . . parsed_2luw 1
79 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.520 -84.060 . . 76 ALA . . . . . . . . . . . . . parsed_2luw 1
80 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.210 151.210 . . 76 ALA . . . . . . . . . . . . . parsed_2luw 1
81 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.930 -84.590 . . 80 THR . . . . . . . . . . . . . parsed_2luw 1
82 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.170 138.070 . . 80 THR . . . . . . . . . . . . . parsed_2luw 1
83 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.270 -71.690 . . 81 THR . . . . . . . . . . . . . parsed_2luw 1
84 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.030 137.230 . . 81 THR . . . . . . . . . . . . . parsed_2luw 1
85 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.770 -108.290 . . 83 HIS . . . . . . . . . . . . . parsed_2luw 1
86 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.220 160.220 . . 83 HIS . . . . . . . . . . . . . parsed_2luw 1
87 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.070 -111.630 . . 84 VAL . . . . . . . . . . . . . parsed_2luw 1
88 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.810 137.810 . . 84 VAL . . . . . . . . . . . . . parsed_2luw 1
89 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.290 -119.690 . . 85 MET . . . . . . . . . . . . . parsed_2luw 1
90 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.310 157.750 . . 85 MET . . . . . . . . . . . . . parsed_2luw 1
91 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.510 -83.530 . . 86 ILE . . . . . . . . . . . . . parsed_2luw 1
92 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.430 133.430 . . 86 ILE . . . . . . . . . . . . . parsed_2luw 1
93 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.300 -63.660 . . 93 SER . . . . . . . . . . . . . parsed_2luw 1
94 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.040 170.960 . . 93 SER . . . . . . . . . . . . . parsed_2luw 1
95 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.270 -73.190 . . 95 VAL . . . . . . . . . . . . . parsed_2luw 1
96 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.870 145.870 . . 95 VAL . . . . . . . . . . . . . parsed_2luw 1
97 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.660 -101.260 . . 96 THR . . . . . . . . . . . . . parsed_2luw 1
98 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.280 135.280 . . 96 THR . . . . . . . . . . . . . parsed_2luw 1
99 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.560 -101.560 . . 97 LEU . . . . . . . . . . . . . parsed_2luw 1
100 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.880 156.700 . . 97 LEU . . . . . . . . . . . . . parsed_2luw 1
101 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.620 -94.600 . . 99 LEU . . . . . . . . . . . . . parsed_2luw 1
102 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.080 139.980 . . 99 LEU . . . . . . . . . . . . . parsed_2luw 1
103 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.560 -98.000 . . 100 GLN . . . . . . . . . . . . . parsed_2luw 1
104 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.070 135.070 . . 100 GLN . . . . . . . . . . . . . parsed_2luw 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2luw
_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_2luw 1
2 1 . . . parsed_2luw 1
3 1 . . . parsed_2luw 1
4 1 . . . parsed_2luw 1
5 1 . . . parsed_2luw 1
6 1 . . . parsed_2luw 1
7 1 . . . parsed_2luw 1
8 1 . . . parsed_2luw 1
9 1 . . . parsed_2luw 1
10 1 . . . parsed_2luw 1
11 1 . . . parsed_2luw 1
12 1 . . . parsed_2luw 1
13 1 . . . parsed_2luw 1
14 1 . . . parsed_2luw 1
15 1 . . . parsed_2luw 1
16 1 . . . parsed_2luw 1
17 1 . . . parsed_2luw 1
18 1 . . . parsed_2luw 1
19 1 . . . parsed_2luw 1
20 1 . . . parsed_2luw 1
21 1 . . . parsed_2luw 1
22 1 . . . parsed_2luw 1
23 1 . . . parsed_2luw 1
24 1 . . . parsed_2luw 1
25 1 . . . parsed_2luw 1
26 1 . . . parsed_2luw 1
27 1 . . . parsed_2luw 1
28 1 . . . parsed_2luw 1
29 1 . . . parsed_2luw 1
30 1 . . . parsed_2luw 1
31 1 . . . parsed_2luw 1
32 1 . . . parsed_2luw 1
33 1 . . . parsed_2luw 1
34 1 . . . parsed_2luw 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 . . . . . . . . . 13 LEU H parsed_2luw 1
1 1 2 . . . . . . . . . 94 GLY O parsed_2luw 1
2 1 1 . . . . . . . . . 13 LEU N parsed_2luw 1
2 1 2 . . . . . . . . . 94 GLY O parsed_2luw 1
3 1 1 . . . . . . . . . 15 GLY H parsed_2luw 1
3 1 2 . . . . . . . . . 92 TYR O parsed_2luw 1
4 1 1 . . . . . . . . . 15 GLY N parsed_2luw 1
4 1 2 . . . . . . . . . 92 TYR O parsed_2luw 1
5 1 1 . . . . . . . . . 19 SER H parsed_2luw 1
5 1 2 . . . . . . . . . 88 GLY O parsed_2luw 1
6 1 1 . . . . . . . . . 19 SER N parsed_2luw 1
6 1 2 . . . . . . . . . 88 GLY O parsed_2luw 1
7 1 1 . . . . . . . . . 21 VAL H parsed_2luw 1
7 1 2 . . . . . . . . . 86 ILE O parsed_2luw 1
8 1 1 . . . . . . . . . 21 VAL N parsed_2luw 1
8 1 2 . . . . . . . . . 86 ILE O parsed_2luw 1
9 1 1 . . . . . . . . . 23 TYR H parsed_2luw 1
9 1 2 . . . . . . . . . 84 VAL O parsed_2luw 1
10 1 1 . . . . . . . . . 23 TYR N parsed_2luw 1
10 1 2 . . . . . . . . . 84 VAL O parsed_2luw 1
11 1 1 . . . . . . . . . 25 PHE H parsed_2luw 1
11 1 2 . . . . . . . . . 82 TYR O parsed_2luw 1
12 1 1 . . . . . . . . . 25 PHE N parsed_2luw 1
12 1 2 . . . . . . . . . 82 TYR O parsed_2luw 1
13 1 1 . . . . . . . . . 27 VAL H parsed_2luw 1
13 1 2 . . . . . . . . . 80 THR O parsed_2luw 1
14 1 1 . . . . . . . . . 27 VAL N parsed_2luw 1
14 1 2 . . . . . . . . . 80 THR O parsed_2luw 1
15 1 1 . . . . . . . . . 31 ALA H parsed_2luw 1
15 1 2 . . . . . . . . . 76 ALA O parsed_2luw 1
16 1 1 . . . . . . . . . 31 ALA N parsed_2luw 1
16 1 2 . . . . . . . . . 76 ALA O parsed_2luw 1
17 1 1 . . . . . . . . . 33 ALA H parsed_2luw 1
17 1 2 . . . . . . . . . 74 VAL O parsed_2luw 1
18 1 1 . . . . . . . . . 33 ALA N parsed_2luw 1
18 1 2 . . . . . . . . . 74 VAL O parsed_2luw 1
19 1 1 . . . . . . . . . 35 VAL H parsed_2luw 1
19 1 2 . . . . . . . . . 72 CYS O parsed_2luw 1
20 1 1 . . . . . . . . . 35 VAL N parsed_2luw 1
20 1 2 . . . . . . . . . 72 CYS O parsed_2luw 1
21 1 1 . . . . . . . . . 37 ILE H parsed_2luw 1
21 1 2 . . . . . . . . . 70 GLU O parsed_2luw 1
22 1 1 . . . . . . . . . 37 ILE N parsed_2luw 1
22 1 2 . . . . . . . . . 70 GLU O parsed_2luw 1
23 1 1 . . . . . . . . . 48 LEU H parsed_2luw 1
23 1 2 . . . . . . . . . 61 CYS O parsed_2luw 1
24 1 1 . . . . . . . . . 48 LEU N parsed_2luw 1
24 1 2 . . . . . . . . . 61 CYS O parsed_2luw 1
25 1 1 . . . . . . . . . 50 ALA H parsed_2luw 1
25 1 2 . . . . . . . . . 59 TRP O parsed_2luw 1
26 1 1 . . . . . . . . . 50 ALA N parsed_2luw 1
26 1 2 . . . . . . . . . 59 TRP O parsed_2luw 1
27 1 1 . . . . . . . . . 51 GLY O parsed_2luw 1
27 1 2 . . . . . . . . . 81 THR H parsed_2luw 1
28 1 1 . . . . . . . . . 51 GLY O parsed_2luw 1
28 1 2 . . . . . . . . . 81 THR N parsed_2luw 1
29 1 1 . . . . . . . . . 49 LYS O parsed_2luw 1
29 1 2 . . . . . . . . . 83 HIS H parsed_2luw 1
30 1 1 . . . . . . . . . 49 LYS O parsed_2luw 1
30 1 2 . . . . . . . . . 83 HIS N parsed_2luw 1
31 1 1 . . . . . . . . . 47 TYR O parsed_2luw 1
31 1 2 . . . . . . . . . 85 MET H parsed_2luw 1
32 1 1 . . . . . . . . . 47 TYR O parsed_2luw 1
32 1 2 . . . . . . . . . 85 MET N parsed_2luw 1
33 1 1 . . . . . . . . . 45 ASP O parsed_2luw 1
33 1 2 . . . . . . . . . 87 LYS H parsed_2luw 1
34 1 1 . . . . . . . . . 45 ASP O parsed_2luw 1
34 1 2 . . . . . . . . . 87 LYS N parsed_2luw 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 . . . . . . . 2.00 parsed_2luw 1
2 1 . . . . . . . 3.00 parsed_2luw 1
3 1 . . . . . . . 2.00 parsed_2luw 1
4 1 . . . . . . . 3.00 parsed_2luw 1
5 1 . . . . . . . 2.00 parsed_2luw 1
6 1 . . . . . . . 3.00 parsed_2luw 1
7 1 . . . . . . . 2.00 parsed_2luw 1
8 1 . . . . . . . 3.00 parsed_2luw 1
9 1 . . . . . . . 2.00 parsed_2luw 1
10 1 . . . . . . . 3.00 parsed_2luw 1
11 1 . . . . . . . 2.00 parsed_2luw 1
12 1 . . . . . . . 3.00 parsed_2luw 1
13 1 . . . . . . . 2.00 parsed_2luw 1
14 1 . . . . . . . 3.00 parsed_2luw 1
15 1 . . . . . . . 2.00 parsed_2luw 1
16 1 . . . . . . . 3.00 parsed_2luw 1
17 1 . . . . . . . 2.00 parsed_2luw 1
18 1 . . . . . . . 3.00 parsed_2luw 1
19 1 . . . . . . . 2.00 parsed_2luw 1
20 1 . . . . . . . 3.00 parsed_2luw 1
21 1 . . . . . . . 2.00 parsed_2luw 1
22 1 . . . . . . . 3.00 parsed_2luw 1
23 1 . . . . . . . 2.00 parsed_2luw 1
24 1 . . . . . . . 3.00 parsed_2luw 1
25 1 . . . . . . . 2.00 parsed_2luw 1
26 1 . . . . . . . 3.00 parsed_2luw 1
27 1 . . . . . . . 2.00 parsed_2luw 1
28 1 . . . . . . . 3.00 parsed_2luw 1
29 1 . . . . . . . 2.00 parsed_2luw 1
30 1 . . . . . . . 3.00 parsed_2luw 1
31 1 . . . . . . . 2.00 parsed_2luw 1
32 1 . . . . . . . 3.00 parsed_2luw 1
33 1 . . . . . . . 2.00 parsed_2luw 1
34 1 . . . . . . . 3.00 parsed_2luw 1
stop_
save_
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