NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
479806 |
2l33   |
17169 | cing | 2-parsed | STAR | dihedral angle | 84 |
data_2l33_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l33
_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_2l33 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l33
_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 2l33 "Master copy" parsed_2l33
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l33
_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 2l33.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l33 1
1 2l33.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 84 parsed_2l33 1
1 2l33.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_2l33 1
1 2l33.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2l33 1
1 2l33.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l33 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2l33
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.80 -45.80 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2l33 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.50 -18.50 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2l33 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.30 -40.00 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2l33 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.50 -17.20 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2l33 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.70 -44.70 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2l33 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.00 -24.00 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2l33 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2l33 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.30 -21.30 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2l33 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.20 -49.20 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2l33 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.50 -2.70 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2l33 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.20 -49.60 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2l33 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.20 -11.40 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2l33 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.40 -68.60 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2l33 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.90 30.90 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2l33 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.80 -56.10 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2l33 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.50 148.10 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2l33 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.60 -75.20 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2l33 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.80 167.90 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2l33 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.50 -63.30 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2l33 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.70 150.00 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2l33 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.30 -114.10 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2l33 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.40 172.20 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2l33 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.40 -86.90 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2l33 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.80 169.30 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2l33 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.00 -85.40 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2l33 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.60 187.40 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2l33 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.00 -81.00 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2l33 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 186.10 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2l33 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.00 -73.50 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2l33 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.30 164.90 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2l33 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.40 -94.40 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2l33 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.50 173.60 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2l33 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.70 -104.40 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2l33 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.20 157.00 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2l33 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.70 -103.60 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2l33 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.10 145.10 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2l33 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.10 -77.70 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2l33 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 145.20 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2l33 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.60 -76.20 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2l33 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.60 168.30 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2l33 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.80 -92.70 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2l33 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.00 187.50 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2l33 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.20 -61.20 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2l33 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.30 162.30 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2l33 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.30 -84.50 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2l33 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.10 170.60 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2l33 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.70 -102.30 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2l33 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.90 180.70 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2l33 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -218.30 -78.30 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2l33 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.40 211.20 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2l33 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.90 -116.80 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2l33 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.70 193.60 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2l33 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.60 -39.60 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2l33 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.20 -22.20 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2l33 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.40 -46.40 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2l33 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.60 -18.60 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2l33 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.30 -46.30 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2l33 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.10 -22.10 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2l33 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.90 -43.90 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2l33 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.30 -23.30 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2l33 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.00 -41.00 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2l33 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.00 -25.00 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2l33 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.80 -41.80 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2l33 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -22.00 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2l33 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.90 -43.90 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2l33 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.50 -16.50 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2l33 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.80 -43.80 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2l33 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -19.00 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2l33 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.90 -41.90 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2l33 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.50 -19.50 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2l33 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.60 -40.00 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2l33 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.30 -1.70 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2l33 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.50 -43.50 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2l33 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.70 -16.70 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2l33 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.20 -45.20 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2l33 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.50 -21.50 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2l33 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.20 -44.20 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2l33 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.30 -18.30 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_2l33 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.90 -47.50 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2l33 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.10 -14.10 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2l33 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.00 -52.20 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2l33 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.20 9.00 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2l33 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.10 -51.30 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2l33 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.70 18.90 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2l33 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
;
ACO file produced by PDBStat
Version: 5.1-Exp Compiled 2008-08-11 on (europa)
;
1 1 4 2 parsed_2l33 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 dihedral 5 2 5 9 parsed_2l33 1
2 end 174 2 174 4 parsed_2l33 1
stop_
save_
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