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 |
|
|
50643 |
2k2d   |
15701 | cing | 2-parsed | STAR | dihedral angle | 56 |
data_2k2d_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k2d
_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_2k2d 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k2d
_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 2k2d "Master copy" parsed_2k2d
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k2d
_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 2k2d.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k2d 1
1 2k2d.mr . . XPLOR/CNS 2 distance NOE simple 909 parsed_2k2d 1
1 2k2d.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 56 parsed_2k2d 1
1 2k2d.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2k2d 1
1 2k2d.mr . . XEASY 5 peak "Not applicable" "Not applicable" 0 parsed_2k2d 1
1 2k2d.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k2d 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k2d
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.00 -42.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2k2d 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -1.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2k2d 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.00 -47.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2k2d 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 16.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2k2d 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.00 -53.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2k2d 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.00 14.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2k2d 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -60.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2k2d 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 17.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2k2d 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.90 -52.70 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2k2d 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.50 167.90 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2k2d 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -66.40 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2k2d 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.00 177.10 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2k2d 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.20 -91.60 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2k2d 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.70 169.40 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2k2d 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.30 -101.40 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2k2d 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.00 178.20 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2k2d 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.00 -76.00 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2k2d 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 178.00 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2k2d 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.20 -115.40 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2k2d 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.20 181.20 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2k2d 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.10 -112.40 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2k2d 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 153.80 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2k2d 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.10 -58.90 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2k2d 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.50 160.40 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2k2d 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.00 150.00 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2k2d 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.00 128.00 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2k2d 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.00 -94.00 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2k2d 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 179.00 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2k2d 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.40 -89.70 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2k2d 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.00 173.80 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2k2d 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.70 -69.90 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2k2d 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.80 163.00 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2k2d 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.80 -105.00 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2k2d 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.50 170.60 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2k2d 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.70 -75.20 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2k2d 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.70 159.00 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2k2d 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.10 -41.90 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2k2d 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.80 161.00 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2k2d 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.10 -31.10 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2k2d 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.40 163.80 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2k2d 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.60 -48.70 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2k2d 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 149.80 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2k2d 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.30 -35.20 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2k2d 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.30 154.20 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2k2d 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.30 -114.20 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2k2d 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.40 185.40 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2k2d 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.00 -103.00 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2k2d 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 179.00 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2k2d 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.00 -47.00 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2k2d 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 147.00 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2k2d 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.20 -62.90 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2k2d 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.10 162.30 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2k2d 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.30 -57.40 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2k2d 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.50 147.10 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2k2d 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.80 -76.30 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2k2d 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.30 157.80 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2k2d 1
stop_
save_
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