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 |
|
|
52364 |
2kgi   |
16210 | cing | 2-parsed | STAR | dihedral angle | 59 |
data_2kgi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kgi
_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_2kgi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kgi
_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 2kgi "Master copy" parsed_2kgi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kgi
_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 2kgi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kgi 1
1 2kgi.mr . . XPLOR/CNS 2 distance NOE simple 922 parsed_2kgi 1
1 2kgi.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 22 parsed_2kgi 1
1 2kgi.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 59 parsed_2kgi 1
1 2kgi.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kgi 1
1 2kgi.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kgi 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kgi
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.6 -109.6 . A 1 . c A 2 . n A 2 . ca A 2 . c parsed_2kgi 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.820 140.510 . A 2 . n A 2 . ca A 2 . c A 3 . n parsed_2kgi 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.40 -103.90 . A 2 . c A 3 . n A 3 . ca A 3 . c parsed_2kgi 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.33 172.41 . A 3 . n A 3 . ca A 3 . c A 4 . n parsed_2kgi 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.700 -16.890 . A 3 . c A 4 . n A 4 . ca A 4 . c parsed_2kgi 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.650 197.580 . A 4 . n A 4 . ca A 4 . c A 5 . n parsed_2kgi 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.600 -14.550 . A 4 . c A 5 . n A 5 . ca A 5 . c parsed_2kgi 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.8455 165.7105 . A 5 . n A 5 . ca A 5 . c A 6 . n parsed_2kgi 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.2 -45.2 . A 5 . c A 6 . n A 6 . ca A 6 . c parsed_2kgi 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.8100 11.2350 . A 6 . n A 6 . ca A 6 . c A 7 . n parsed_2kgi 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.050 -57.820 . A 7 . c A 8 . n A 8 . ca A 8 . c parsed_2kgi 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.800 152.410 . A 8 . n A 8 . ca A 8 . c A 9 . n parsed_2kgi 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.50 -68.38 . A 9 . c A 10 . n A 10 . ca A 10 . c parsed_2kgi 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.2855 175.6505 . A 10 . n A 10 . ca A 10 . c A 11 . n parsed_2kgi 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.000 -85.070 . A 15 . c A 16 . n A 16 . ca A 16 . c parsed_2kgi 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.390 153.600 . A 16 . n A 16 . ca A 16 . c A 17 . n parsed_2kgi 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.600 -73.090 . A 16 . c A 17 . n A 17 . ca A 17 . c parsed_2kgi 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.25 159.89 . A 17 . n A 17 . ca A 17 . c A 18 . n parsed_2kgi 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.20 -97.28 . A 17 . c A 18 . n A 18 . ca A 18 . c parsed_2kgi 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.65 163.47 . A 18 . n A 18 . ca A 18 . c A 19 . n parsed_2kgi 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.30 -111.00 . A 18 . c A 19 . n A 19 . ca A 19 . c parsed_2kgi 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.550 150.560 . A 19 . n A 19 . ca A 19 . c A 20 . n parsed_2kgi 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.40 -67.50 . A 19 . c A 20 . n A 20 . ca A 20 . c parsed_2kgi 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.430 138.660 . A 20 . n A 20 . ca A 20 . c A 21 . n parsed_2kgi 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.600 -49.450 . A 24 . c A 25 . n A 25 . ca A 25 . c parsed_2kgi 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.1400 14.9590 . A 25 . n A 25 . ca A 25 . c A 26 . n parsed_2kgi 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.700 -89.050 . A 27 . c A 28 . n A 28 . ca A 28 . c parsed_2kgi 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.380 168.670 . A 28 . n A 28 . ca A 28 . c A 29 . n parsed_2kgi 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.200 -62.410 . A 28 . c A 29 . n A 29 . ca A 29 . c parsed_2kgi 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0145 170.2995 . A 29 . n A 29 . ca A 29 . c A 30 . n parsed_2kgi 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.480 -48.370 . A 30 . c A 31 . n A 31 . ca A 31 . c parsed_2kgi 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.300 -32.630 . A 31 . n A 31 . ca A 31 . c A 32 . n parsed_2kgi 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.99 -53.25 . A 31 . c A 32 . n A 32 . ca A 32 . c parsed_2kgi 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.610 -30.120 . A 32 . n A 32 . ca A 32 . c A 33 . n parsed_2kgi 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.77 -54.25 . A 32 . c A 33 . n A 33 . ca A 33 . c parsed_2kgi 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.090 -19.320 . A 33 . n A 33 . ca A 33 . c A 34 . n parsed_2kgi 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.20 -86.24 . A 33 . c A 34 . n A 34 . ca A 34 . c parsed_2kgi 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.25 26.47 . A 34 . n A 34 . ca A 34 . c A 35 . n parsed_2kgi 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52.28 98.96 . A 34 . c A 35 . n A 35 . ca A 35 . c parsed_2kgi 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.390 46.894 . A 35 . n A 35 . ca A 35 . c A 36 . n parsed_2kgi 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.90 -80.14 . A 35 . c A 36 . n A 36 . ca A 36 . c parsed_2kgi 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.740 169.130 . A 36 . n A 36 . ca A 36 . c A 37 . n parsed_2kgi 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.500 -49.970 . A 36 . c A 37 . n A 37 . ca A 37 . c parsed_2kgi 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.7045 166.0095 . A 37 . n A 37 . ca A 37 . c A 38 . n parsed_2kgi 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.58 -16.20 . A 38 . n A 38 . ca A 38 . c A 39 . n parsed_2kgi 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.97 -62.59 . A 38 . c A 39 . n A 39 . ca A 39 . c parsed_2kgi 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.840 -26.430 . A 39 . n A 39 . ca A 39 . c A 40 . n parsed_2kgi 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.280 -59.090 . A 39 . c A 40 . n A 40 . ca A 40 . c parsed_2kgi 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.41 -32.03 . A 40 . n A 40 . ca A 40 . c A 41 . n parsed_2kgi 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.940 -51.690 . A 40 . c A 41 . n A 41 . ca A 41 . c parsed_2kgi 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.650 -28.060 . A 41 . n A 41 . ca A 41 . c A 42 . n parsed_2kgi 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.60 -59.62 . A 41 . c A 42 . n A 42 . ca A 42 . c parsed_2kgi 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.17 -9.65 . A 42 . n A 42 . ca A 42 . c A 43 . n parsed_2kgi 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.30 -64.58 . A 43 . c A 44 . n A 44 . ca A 44 . c parsed_2kgi 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.060 189.130 . A 44 . n A 44 . ca A 44 . c A 45 . n parsed_2kgi 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.500 -89.210 . A 46 . c A 47 . n A 47 . ca A 47 . c parsed_2kgi 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.29 145.51 . A 47 . n A 47 . ca A 47 . c A 48 . n parsed_2kgi 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.70 -41.46 . A 48 . c A 49 . n A 49 . ca A 49 . c parsed_2kgi 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.260 -9.950 . A 49 . n A 49 . ca A 49 . c A 50 . n parsed_2kgi 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 "following are dihedral angle restraints" 1 1 1 42 parsed_2kgi 1
stop_
save_
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