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 |
|
|
43325 |
2akk   |
6746 | cing | 2-parsed | STAR | dihedral angle | 75 |
data_2akk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2akk
_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_2akk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2akk
_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 2akk "Master copy" parsed_2akk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2akk
_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 2akk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2akk 1
1 2akk.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 40 parsed_2akk 1
1 2akk.mr . . XPLOR/CNS 3 distance NOE simple 1500 parsed_2akk 1
1 2akk.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 75 parsed_2akk 1
1 2akk.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2akk 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2akk
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.00 154.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2akk 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.00 -79.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2akk 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.00 149.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2akk 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.00 -95.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2akk 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.00 181.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2akk 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.00 -95.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2akk 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 177.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2akk 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.00 -87.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2akk 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 188.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2akk 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.00 -41.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2akk 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 162.00 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2akk 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.00 -48.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2akk 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 173.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2akk 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.00 -80.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2akk 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.00 176.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2akk 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.00 -111.00 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2akk 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.00 183.00 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2akk 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.00 -91.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2akk 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.00 175.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2akk 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.00 -43.00 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2akk 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.00 202.00 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2akk 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.00 -101.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2akk 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -44.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2akk 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.00 175.00 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2akk 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.00 -63.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2akk 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.00 165.00 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2akk 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.00 -48.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2akk 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 155.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2akk 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.00 -54.00 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2akk 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 155.00 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2akk 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.00 -79.00 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2akk 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.00 158.00 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2akk 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.00 -76.00 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2akk 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.00 164.00 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2akk 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -54.00 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2akk 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 190.00 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2akk 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 -38.00 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2akk 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 160.00 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2akk 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.00 -75.00 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2akk 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.00 144.00 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2akk 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -80.00 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2akk 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 146.00 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2akk 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.00 -61.00 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2akk 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.00 188.00 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2akk 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -66.00 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2akk 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.00 186.00 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2akk 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.00 -86.00 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2akk 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.00 185.00 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2akk 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.00 -100.00 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2akk 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.00 182.00 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2akk 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.00 -88.00 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2akk 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 179.00 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2akk 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.00 -84.00 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2akk 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 177.00 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2akk 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.00 -71.00 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2akk 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.00 188.00 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2akk 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.00 -58.00 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2akk 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.00 164.00 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2akk 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -43.00 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2akk 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.00 193.00 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2akk 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.00 -43.00 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2akk 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 162.00 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2akk 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.00 -77.00 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2akk 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 150.00 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2akk 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -92.00 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2akk 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 184.00 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2akk 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -46.00 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2akk 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.00 181.00 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2akk 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.00 2.00 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2akk 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.00 -98.00 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2akk 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 167.00 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2akk 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.00 -75.00 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2akk 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 158.00 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2akk 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.00 -51.00 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2akk 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 153.00 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2akk 1
stop_
save_
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