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 |
|
|
43090 |
2a36   |
5925 | cing | 2-parsed | STAR | dihedral angle | 56 |
data_2a36_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2a36
_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_2a36 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2a36
_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 2a36 "Master copy" parsed_2a36
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2a36
_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 2a36.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . PDB 2 coordinate ensemble "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 4 distance NOE simple 909 parsed_2a36 1
1 2a36.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 254 parsed_2a36 1
1 2a36.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 8 distance "hydrogen bond" simple 40 parsed_2a36 1
1 2a36.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 56 parsed_2a36 1
1 2a36.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 12 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . XPLOR/CNS 14 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . n/a 15 comment "Not applicable" "Not applicable" 0 parsed_2a36 1
1 2a36.mr . . "MR format" 16 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2a36 1
stop_
save_
save_CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2a36
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 10
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.00 -104.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2a36 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 179.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2a36 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -103.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2a36 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 184.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2a36 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.00 -89.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2a36 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 159.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2a36 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.00 -47.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2a36 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 163.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2a36 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.00 -56.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2a36 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 168.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2a36 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.00 -96.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2a36 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 168.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2a36 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.00 -54.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2a36 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 155.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2a36 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.00 -89.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2a36 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.00 158.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2a36 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.00 -23.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2a36 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.00 170.00 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2a36 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.00 -53.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2a36 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 209.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2a36 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -79.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2a36 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.00 170.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2a36 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.00 -81.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2a36 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.00 186.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2a36 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.00 -77.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2a36 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.00 164.00 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2a36 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.00 -69.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2a36 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.00 133.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2a36 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.00 -87.00 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2a36 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.00 178.00 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2a36 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.00 -63.00 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2a36 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 168.00 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2a36 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -48.00 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2a36 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.00 -3.00 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2a36 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -69.00 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2a36 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 184.00 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2a36 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.00 -91.00 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2a36 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 152.00 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2a36 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.00 -109.00 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2a36 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.00 170.00 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2a36 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.00 -88.00 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2a36 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.00 170.00 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2a36 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.00 -38.00 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2a36 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.00 146.00 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2a36 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -53.00 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2a36 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.00 0.00 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2a36 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.00 -42.00 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2a36 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 18.00 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2a36 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -88.00 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2a36 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 189.00 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2a36 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.00 -94.00 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2a36 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.00 163.00 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2a36 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.00 -93.00 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2a36 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.00 163.00 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2a36 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -50.00 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2a36 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 160.00 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2a36 1
stop_
save_
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