NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
502254 |
2kx3   |
16899 | cing | 2-parsed | STAR | dihedral angle | 45 |
data_2kx3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kx3
_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_2kx3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kx3
_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 2kx3 "Master copy" parsed_2kx3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kx3
_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 2kx3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kx3 1
1 2kx3.mr . . DYANA/DIANA 2 distance NOE simple 1087 parsed_2kx3 1
1 2kx3.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 45 parsed_2kx3 1
1 2kx3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kx3 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kx3
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.580 -82.500 . . 3 LEU . . . . . . . . . . . . . parsed_2kx3 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.780 168.540 . . 3 LEU . . . . . . . . . . . . . parsed_2kx3 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.890 -92.110 . . 5 MET . . . . . . . . . . . . . parsed_2kx3 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.760 167.100 . . 5 MET . . . . . . . . . . . . . parsed_2kx3 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.680 -108.080 . . 6 ILE . . . . . . . . . . . . . parsed_2kx3 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.860 139.300 . . 6 ILE . . . . . . . . . . . . . parsed_2kx3 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.290 -102.670 . . 7 VAL . . . . . . . . . . . . . parsed_2kx3 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.970 132.970 . . 7 VAL . . . . . . . . . . . . . parsed_2kx3 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.650 -68.890 . . 18 THR . . . . . . . . . . . . . parsed_2kx3 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.000 -8.340 . . 18 THR . . . . . . . . . . . . . parsed_2kx3 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.940 -71.460 . . 20 SER . . . . . . . . . . . . . parsed_2kx3 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.270 183.670 . . 20 SER . . . . . . . . . . . . . parsed_2kx3 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.270 -52.270 . . 26 LEU . . . . . . . . . . . . . parsed_2kx3 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.280 -32.280 . . 26 LEU . . . . . . . . . . . . . parsed_2kx3 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.240 -58.400 . . 30 GLN . . . . . . . . . . . . . parsed_2kx3 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.300 -31.300 . . 30 GLN . . . . . . . . . . . . . parsed_2kx3 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.760 -57.760 . . 32 LEU . . . . . . . . . . . . . parsed_2kx3 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.430 -22.430 . . 32 LEU . . . . . . . . . . . . . parsed_2kx3 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.190 -58.390 . . 34 THR . . . . . . . . . . . . . parsed_2kx3 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.900 -28.140 . . 34 THR . . . . . . . . . . . . . parsed_2kx3 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.660 -54.680 . . 35 LEU . . . . . . . . . . . . . parsed_2kx3 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.710 -15.010 . . 35 LEU . . . . . . . . . . . . . parsed_2kx3 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.460 -79.120 . . 36 THR . . . . . . . . . . . . . parsed_2kx3 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.270 3.430 . . 36 THR . . . . . . . . . . . . . parsed_2kx3 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.680 -65.460 . . 48 LEU . . . . . . . . . . . . . parsed_2kx3 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.850 151.630 . . 48 LEU . . . . . . . . . . . . . parsed_2kx3 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.620 -67.020 . . 50 VAL . . . . . . . . . . . . . parsed_2kx3 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.210 169.450 . . 50 VAL . . . . . . . . . . . . . parsed_2kx3 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.050 88.050 . . 52 GLY . . . . . . . . . . . . . parsed_2kx3 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.960 19.400 . . 52 GLY . . . . . . . . . . . . . parsed_2kx3 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.900 152.900 . . 54 PRO . . . . . . . . . . . . . parsed_2kx3 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.490 -50.490 . . 57 ASN . . . . . . . . . . . . . parsed_2kx3 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.200 -19.200 . . 57 ASN . . . . . . . . . . . . . parsed_2kx3 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.190 -52.190 . . 69 ASN . . . . . . . . . . . . . parsed_2kx3 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.840 -28.840 . . 69 ASN . . . . . . . . . . . . . parsed_2kx3 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.970 -53.970 . . 70 THR . . . . . . . . . . . . . parsed_2kx3 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.250 -23.810 . . 70 THR . . . . . . . . . . . . . parsed_2kx3 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.170 -95.610 . . 72 ILE . . . . . . . . . . . . . parsed_2kx3 1
39 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.100 146.740 . . 72 ILE . . . . . . . . . . . . . parsed_2kx3 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.610 -76.890 . . 73 MET . . . . . . . . . . . . . parsed_2kx3 1
41 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.910 138.910 . . 73 MET . . . . . . . . . . . . . parsed_2kx3 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.260 -97.660 . . 74 MET . . . . . . . . . . . . . parsed_2kx3 1
43 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.320 148.800 . . 74 MET . . . . . . . . . . . . . parsed_2kx3 1
44 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.920 -90.240 . . 75 MET . . . . . . . . . . . . . parsed_2kx3 1
45 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.530 166.990 . . 75 MET . . . . . . . . . . . . . parsed_2kx3 1
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save_
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