NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
579883 |
2mli   |
19822 | cing | 2-parsed | STAR | dihedral angle | 86 |
data_2mli_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mli
_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_2mli 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mli
_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 2mli "Master copy" parsed_2mli
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mli
_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 2mli.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mli 1
1 2mli.mr . . XPLOR/CNS 2 distance NOE simple 931 parsed_2mli 1
1 2mli.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 86 parsed_2mli 1
1 2mli.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mli 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mli
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -29.0 . a 1 . C a 2 . N a 2 . CA a 2 . C parsed_2mli 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -10.0 . a 2 . N a 2 . CA a 2 . C a 3 . N parsed_2mli 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -41.0 . a 2 . C a 3 . N a 3 . CA a 3 . C parsed_2mli 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . a 3 . N a 3 . CA a 3 . C a 4 . N parsed_2mli 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . a 3 . C a 4 . N a 4 . CA a 4 . C parsed_2mli 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . a 4 . N a 4 . CA a 4 . C a 5 . N parsed_2mli 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . a 4 . C a 5 . N a 5 . CA a 5 . C parsed_2mli 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . a 5 . N a 5 . CA a 5 . C a 6 . N parsed_2mli 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . a 5 . C a 6 . N a 6 . CA a 6 . C parsed_2mli 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -15.0 . a 6 . N a 6 . CA a 6 . C a 7 . N parsed_2mli 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . a 6 . C a 7 . N a 7 . CA a 7 . C parsed_2mli 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -4.0 . a 7 . N a 7 . CA a 7 . C a 8 . N parsed_2mli 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -60.0 . a 7 . C a 8 . N a 8 . CA a 8 . C parsed_2mli 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 6.0 . a 8 . N a 8 . CA a 8 . C a 9 . N parsed_2mli 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -76.0 . a 8 . C a 9 . N a 9 . CA a 9 . C parsed_2mli 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 173.0 . a 9 . N a 9 . CA a 9 . C a 10 . N parsed_2mli 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.0 -70.0 . a 9 . C a 10 . N a 10 . CA a 10 . C parsed_2mli 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 176.0 . a 10 . N a 10 . CA a 10 . C a 11 . N parsed_2mli 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -80.0 . a 10 . C a 11 . N a 11 . CA a 11 . C parsed_2mli 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.0 186.0 . a 11 . N a 11 . CA a 11 . C a 12 . N parsed_2mli 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.0 -44.0 . a 11 . C a 12 . N a 12 . CA a 12 . C parsed_2mli 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 166.0 . a 12 . N a 12 . CA a 12 . C a 13 . N parsed_2mli 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . a 12 . C a 13 . N a 13 . CA a 13 . C parsed_2mli 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . a 13 . N a 13 . CA a 13 . C a 14 . N parsed_2mli 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -43.0 . a 13 . C a 14 . N a 14 . CA a 14 . C parsed_2mli 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -1.0 . a 14 . N a 14 . CA a 14 . C a 15 . N parsed_2mli 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . a 14 . C a 15 . N a 15 . CA a 15 . C parsed_2mli 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . a 15 . N a 15 . CA a 15 . C a 16 . N parsed_2mli 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -43.0 . a 15 . C a 16 . N a 16 . CA a 16 . C parsed_2mli 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . a 16 . N a 16 . CA a 16 . C a 17 . N parsed_2mli 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . a 16 . C a 17 . N a 17 . CA a 17 . C parsed_2mli 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -11.0 . a 17 . N a 17 . CA a 17 . C a 18 . N parsed_2mli 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . a 17 . C a 18 . N a 18 . CA a 18 . C parsed_2mli 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -10.0 . a 18 . N a 18 . CA a 18 . C a 19 . N parsed_2mli 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 -53.0 . a 18 . C a 19 . N a 19 . CA a 19 . C parsed_2mli 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 7.0 . a 19 . N a 19 . CA a 19 . C a 20 . N parsed_2mli 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.0 -46.0 . a 19 . C a 20 . N a 20 . CA a 20 . C parsed_2mli 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47.0 111.0 . a 20 . N a 20 . CA a 20 . C a 21 . N parsed_2mli 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.0 -97.0 . b 24 . C b 25 . N b 25 . CA b 25 . C parsed_2mli 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.0 178.0 . b 25 . N b 25 . CA b 25 . C b 26 . N parsed_2mli 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -46.0 . b 25 . C b 26 . N b 26 . CA b 26 . C parsed_2mli 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.0 160.0 . b 26 . N b 26 . CA b 26 . C b 27 . N parsed_2mli 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -72.0 . b 26 . C b 27 . N b 27 . CA b 27 . C parsed_2mli 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.0 166.0 . b 27 . N b 27 . CA b 27 . C b 28 . N parsed_2mli 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 -83.0 . b 27 . C b 28 . N b 28 . CA b 28 . C parsed_2mli 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 178.0 . b 28 . N b 28 . CA b 28 . C b 29 . N parsed_2mli 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.0 71.0 . b 28 . C b 29 . N b 29 . CA b 29 . C parsed_2mli 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -108.0 . b 29 . N b 29 . CA b 29 . C b 30 . N parsed_2mli 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -39.0 . b 29 . C b 30 . N b 30 . CA b 30 . C parsed_2mli 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 3.0 . b 30 . N b 30 . CA b 30 . C b 31 . N parsed_2mli 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . b 30 . C b 31 . N b 31 . CA b 31 . C parsed_2mli 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . b 31 . N b 31 . CA b 31 . C b 32 . N parsed_2mli 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . b 31 . C b 32 . N b 32 . CA b 32 . C parsed_2mli 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . b 32 . N b 32 . CA b 32 . C b 33 . N parsed_2mli 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . b 32 . C b 33 . N b 33 . CA b 33 . C parsed_2mli 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -25.0 . b 33 . N b 33 . CA b 33 . C b 34 . N parsed_2mli 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -41.0 . b 33 . C b 34 . N b 34 . CA b 34 . C parsed_2mli 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -17.0 . b 34 . N b 34 . CA b 34 . C b 35 . N parsed_2mli 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . b 34 . C b 35 . N b 35 . CA b 35 . C parsed_2mli 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . b 35 . N b 35 . CA b 35 . C b 36 . N parsed_2mli 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -43.0 . b 35 . C b 36 . N b 36 . CA b 36 . C parsed_2mli 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . b 36 . N b 36 . CA b 36 . C b 37 . N parsed_2mli 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . b 36 . C b 37 . N b 37 . CA b 37 . C parsed_2mli 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -17.0 . b 37 . N b 37 . CA b 37 . C b 38 . N parsed_2mli 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -43.0 . b 37 . C b 38 . N b 38 . CA b 38 . C parsed_2mli 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -18.0 . b 38 . N b 38 . CA b 38 . C b 39 . N parsed_2mli 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -51.0 . b 38 . C b 39 . N b 39 . CA b 39 . C parsed_2mli 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -17.0 . b 39 . N b 39 . CA b 39 . C b 40 . N parsed_2mli 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -56.0 . b 39 . C b 40 . N b 40 . CA b 40 . C parsed_2mli 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.0 12.0 . b 40 . N b 40 . CA b 40 . C b 41 . N parsed_2mli 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27.0 83.0 . b 40 . C b 41 . N b 41 . CA b 41 . C parsed_2mli 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -118.0 . b 41 . N b 41 . CA b 41 . C b 42 . N parsed_2mli 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . b 41 . C b 42 . N b 42 . CA b 42 . C parsed_2mli 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.0 -3.0 . b 42 . N b 42 . CA b 42 . C b 43 . N parsed_2mli 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . b 42 . C b 43 . N b 43 . CA b 43 . C parsed_2mli 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -8.0 . b 43 . N b 43 . CA b 43 . C b 44 . N parsed_2mli 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56.0 96.0 . b 43 . C b 44 . N b 44 . CA b 44 . C parsed_2mli 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -192.0 -152.0 . b 44 . N b 44 . CA b 44 . C b 45 . N parsed_2mli 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . b 46 . CD1 b 46 . CG b 46 . CB b 46 . CA parsed_2mli 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 182.0 . b 46 . CD2 b 46 . CG b 46 . CB b 46 . CA parsed_2mli 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 182.0 . b 46 . CD1 b 46 . CG b 46 . CB b 46 . HB parsed_2mli 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . b 46 . CD2 b 46 . CG b 46 . CB b 46 . HB parsed_2mli 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . b 46 . CG b 46 . CB b 46 . CA b 46 . N parsed_2mli 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 182.0 . b 46 . CG b 46 . CB b 46 . CA b 46 . C parsed_2mli 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . b 46 . HB b 46 . CB b 46 . CA b 46 . C parsed_2mli 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 182.0 . b 46 . HB b 46 . CB b 46 . CA b 46 . N parsed_2mli 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
;
!!assign (resid 1 and name N and segid a ) (resid 1 and name CA and segid a )
!! (resid 1 and name C and segid a ) (resid 2 and name N and segid a ) 1.0 -42.0 20.0 2
;
1 1 2 111 parsed_2mli 1
stop_
save_
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