NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
31235 |
1e0g   |
4680 | cing | recoord | dress | 2-parsed | STAR | dihedral angle | 61 |
data_1e0g_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1e0g
_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_1e0g 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1e0g
_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 1e0g "Master copy" parsed_1e0g
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1e0g
_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 1e0g.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1e0g 1
1 1e0g.mr . . XPLOR/CNS 2 distance NOE simple 493 parsed_1e0g 1
1 1e0g.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 34 parsed_1e0g 1
1 1e0g.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 61 parsed_1e0g 1
1 1e0g.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1e0g 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1e0g
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1e0g 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1e0g 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.160 -99.100 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1e0g 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.660 -92.220 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1e0g 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.090 -91.130 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1e0g 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.460 -105.440 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1e0g 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.290 -69.350 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1e0g 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.690 -100.050 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1e0g 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.400 -55.780 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1e0g 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.400 -107.800 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1e0g 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.180 -51.180 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1e0g 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.830 -47.830 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1e0g 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.780 -40.780 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1e0g 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.440 -57.320 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1e0g 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.590 -104.770 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1e0g 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.260 -79.320 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1e0g 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.480 -57.280 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1e0g 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.890 -56.010 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1e0g 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.770 -52.330 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1e0g 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.000 -92.600 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1e0g 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.100 -76.960 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1e0g 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.550 -50.370 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1e0g 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.760 -52.760 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1e0g 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.340 -84.660 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1e0g 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.080 -97.980 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1e0g 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.920 -72.960 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1e0g 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.050 -77.110 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1e0g 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.700 168.400 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_1e0g 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.040 151.280 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_1e0g 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.510 132.230 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_1e0g 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.820 153.760 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_1e0g 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.520 149.040 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_1e0g 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.160 158.320 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_1e0g 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.030 151.670 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_1e0g 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.890 -11.130 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_1e0g 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.890 -35.890 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_1e0g 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.550 -23.550 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_1e0g 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.850 -29.250 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_1e0g 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.770 170.770 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_1e0g 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.150 -26.790 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_1e0g 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.530 -37.010 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_1e0g 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.770 -36.790 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_1e0g 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.630 161.090 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_1e0g 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.520 162.520 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_1e0g 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.330 162.330 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_1e0g 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.100 134.720 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_1e0g 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.330 140.410 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_1e0g 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 2 . og . 2 . cb . 2 . ca . 2 . n parsed_1e0g 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 3 . cg1 . 3 . cb . 3 . ca . 3 . n parsed_1e0g 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 4 . og1 . 4 . cb . 4 . ca . 4 . n parsed_1e0g 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -120.0 . . 7 . cg1 . 7 . cb . 7 . ca . 7 . n parsed_1e0g 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 8 . cg . 8 . cb . 8 . ca . 8 . n parsed_1e0g 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 11 . cg . 11 . cb . 11 . ca . 11 . n parsed_1e0g 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 16 . cg1 . 16 . cb . 16 . ca . 16 . n parsed_1e0g 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 20 . cg . 20 . cb . 20 . ca . 20 . n parsed_1e0g 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -120.0 . . 27 . cg1 . 27 . cb . 27 . ca . 27 . n parsed_1e0g 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 28 . cg . 28 . cb . 28 . ca . 28 . n parsed_1e0g 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 37 . cg . 37 . cb . 37 . ca . 37 . n parsed_1e0g 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 41 . cg . 41 . cb . 41 . ca . 41 . n parsed_1e0g 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 43 . cg . 43 . cb . 43 . ca . 43 . n parsed_1e0g 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 44 . og1 . 44 . cb . 44 . ca . 44 . n parsed_1e0g 1
stop_
save_
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