NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
52211 |
2kel   |
16153 | cing | 2-parsed | STAR | dihedral angle | 60 |
data_2kel_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kel
_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_2kel 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kel
_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 2kel "Master copy" parsed_2kel
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kel
_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 2kel.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kel 1
1 2kel.mr . . XPLOR/CNS 2 distance NOE ambi 4072 parsed_2kel 1
1 2kel.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_2kel 1
1 2kel.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2kel 1
1 2kel.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kel 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kel
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . " A" 12 . C " A" 13 . N " A" 13 . CA " A" 13 . C parsed_2kel 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . " A" 16 . C " A" 17 . N " A" 17 . CA " A" 17 . C parsed_2kel 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . " A" 18 . C " A" 19 . N " A" 19 . CA " A" 19 . C parsed_2kel 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 20 . C " A" 21 . N " A" 21 . CA " A" 21 . C parsed_2kel 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 21 . C " A" 22 . N " A" 22 . CA " A" 22 . C parsed_2kel 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 22 . C " A" 23 . N " A" 23 . CA " A" 23 . C parsed_2kel 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 23 . C " A" 24 . N " A" 24 . CA " A" 24 . C parsed_2kel 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 24 . C " A" 25 . N " A" 25 . CA " A" 25 . C parsed_2kel 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 25 . C " A" 26 . N " A" 26 . CA " A" 26 . C parsed_2kel 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 26 . C " A" 27 . N " A" 27 . CA " A" 27 . C parsed_2kel 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 27 . C " A" 28 . N " A" 28 . CA " A" 28 . C parsed_2kel 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 28 . C " A" 29 . N " A" 29 . CA " A" 29 . C parsed_2kel 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 29 . C " A" 30 . N " A" 30 . CA " A" 30 . C parsed_2kel 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 30 . C " A" 31 . N " A" 31 . CA " A" 31 . C parsed_2kel 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 31 . C " A" 32 . N " A" 32 . CA " A" 32 . C parsed_2kel 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 33 . C " A" 33 . N " A" 33 . CA " A" 33 . C parsed_2kel 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -95.00 . " A" 34 . C " A" 35 . N " A" 35 . CA " A" 35 . C parsed_2kel 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 38 . C " A" 39 . N " A" 39 . CA " A" 39 . C parsed_2kel 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 39 . C " A" 40 . N " A" 40 . CA " A" 40 . C parsed_2kel 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 41 . C " A" 41 . N " A" 41 . CA " A" 41 . C parsed_2kel 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 42 . C " A" 43 . N " A" 43 . CA " A" 43 . C parsed_2kel 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 43 . C " A" 44 . N " A" 44 . CA " A" 44 . C parsed_2kel 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 44 . C " A" 45 . N " A" 45 . CA " A" 45 . C parsed_2kel 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 45 . C " A" 46 . N " A" 46 . CA " A" 46 . C parsed_2kel 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 46 . C " A" 47 . N " A" 47 . CA " A" 47 . C parsed_2kel 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 47 . C " A" 48 . N " A" 48 . CA " A" 48 . C parsed_2kel 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 48 . C " A" 49 . N " A" 49 . CA " A" 49 . C parsed_2kel 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 49 . C " A" 50 . N " A" 50 . CA " A" 50 . C parsed_2kel 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 51 . C " A" 52 . N " A" 52 . CA " A" 52 . C parsed_2kel 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 52 . C " A" 53 . N " A" 53 . CA " A" 53 . C parsed_2kel 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . " B" 12 . C " B" 13 . N " B" 13 . CA " B" 13 . C parsed_2kel 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . " B" 16 . C " B" 17 . N " B" 17 . CA " B" 17 . C parsed_2kel 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.00 . " B" 18 . C " B" 19 . N " B" 19 . CA " B" 19 . C parsed_2kel 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 20 . C " B" 21 . N " B" 21 . CA " B" 21 . C parsed_2kel 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 21 . C " B" 22 . N " B" 22 . CA " B" 22 . C parsed_2kel 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 22 . C " B" 23 . N " B" 23 . CA " B" 23 . C parsed_2kel 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 23 . C " B" 24 . N " B" 24 . CA " B" 24 . C parsed_2kel 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 24 . C " B" 25 . N " B" 25 . CA " B" 25 . C parsed_2kel 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 25 . C " B" 26 . N " B" 26 . CA " B" 26 . C parsed_2kel 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 26 . C " B" 27 . N " B" 27 . CA " B" 27 . C parsed_2kel 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 27 . C " B" 28 . N " B" 28 . CA " B" 28 . C parsed_2kel 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 28 . C " B" 29 . N " B" 29 . CA " B" 29 . C parsed_2kel 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 29 . C " B" 30 . N " B" 30 . CA " B" 30 . C parsed_2kel 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 30 . C " B" 31 . N " B" 31 . CA " B" 31 . C parsed_2kel 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 31 . C " B" 32 . N " B" 32 . CA " B" 32 . C parsed_2kel 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 33 . C " B" 33 . N " B" 33 . CA " B" 33 . C parsed_2kel 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -95.00 . " B" 34 . C " B" 35 . N " B" 35 . CA " B" 35 . C parsed_2kel 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 38 . C " B" 39 . N " B" 39 . CA " B" 39 . C parsed_2kel 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 39 . C " B" 40 . N " B" 40 . CA " B" 40 . C parsed_2kel 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 41 . C " B" 41 . N " B" 41 . CA " B" 41 . C parsed_2kel 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 42 . C " B" 43 . N " B" 43 . CA " B" 43 . C parsed_2kel 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 43 . C " B" 44 . N " B" 44 . CA " B" 44 . C parsed_2kel 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 44 . C " B" 45 . N " B" 45 . CA " B" 45 . C parsed_2kel 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 45 . C " B" 46 . N " B" 46 . CA " B" 46 . C parsed_2kel 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 46 . C " B" 47 . N " B" 47 . CA " B" 47 . C parsed_2kel 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 47 . C " B" 48 . N " B" 48 . CA " B" 48 . C parsed_2kel 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 48 . C " B" 49 . N " B" 49 . CA " B" 49 . C parsed_2kel 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 49 . C " B" 50 . N " B" 50 . CA " B" 50 . C parsed_2kel 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 51 . C " B" 52 . N " B" 52 . CA " B" 52 . C parsed_2kel 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " B" 52 . C " B" 53 . N " B" 53 . CA " B" 53 . C parsed_2kel 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
;
Phi dihedral angles derived from a HNHA experiment
monomer A
A 13
;
1 1 3 7 parsed_2kel 1
2 "A 17" 6 1 6 7 parsed_2kel 1
3 "A 19" 9 1 9 7 parsed_2kel 1
4 "A 21" 12 1 12 8 parsed_2kel 1
5 "A 22" 15 1 15 8 parsed_2kel 1
6 "A 23" 18 1 18 8 parsed_2kel 1
7 "A 24" 21 1 21 8 parsed_2kel 1
8 "A 25" 24 1 24 8 parsed_2kel 1
9 "A 26" 27 1 27 8 parsed_2kel 1
10 "A 27" 30 1 30 8 parsed_2kel 1
11 "A 28" 33 1 33 8 parsed_2kel 1
12 "A 29" 36 1 36 8 parsed_2kel 1
13 "A 30" 39 1 39 8 parsed_2kel 1
14 "A 31" 42 1 42 8 parsed_2kel 1
15 "A 32" 45 1 45 8 parsed_2kel 1
16 "A 34" 48 1 48 8 parsed_2kel 1
17 "A 35" 51 1 51 7 parsed_2kel 1
18 "A 39" 54 1 54 8 parsed_2kel 1
19 "A 40" 57 1 57 8 parsed_2kel 1
20 "A 42" 60 1 60 8 parsed_2kel 1
21 "A 43" 63 1 63 8 parsed_2kel 1
22 "A 44" 66 1 66 8 parsed_2kel 1
23 "A 45" 69 1 69 8 parsed_2kel 1
24 "A 46" 72 1 72 8 parsed_2kel 1
25 "A 47" 75 1 75 8 parsed_2kel 1
26 "A 48" 78 1 78 8 parsed_2kel 1
27 "A 49" 81 1 81 8 parsed_2kel 1
28 "A 50" 84 1 84 8 parsed_2kel 1
29 "A 52" 87 1 87 8 parsed_2kel 1
30 "A 53" 90 1 90 8 parsed_2kel 1
31
;
monomer B
B 13
;
94 1 95 7 parsed_2kel 1
32 "B 17" 98 1 98 7 parsed_2kel 1
33 "B 19" 101 1 101 7 parsed_2kel 1
34 "B 21" 104 1 104 8 parsed_2kel 1
35 "B 22" 107 1 107 8 parsed_2kel 1
36 "B 23" 110 1 110 8 parsed_2kel 1
37 "B 24" 113 1 113 8 parsed_2kel 1
38 "B 25" 116 1 116 8 parsed_2kel 1
39 "B 26" 119 1 119 8 parsed_2kel 1
40 "B 27" 122 1 122 8 parsed_2kel 1
41 "B 28" 125 1 125 8 parsed_2kel 1
42 "B 29" 128 1 128 8 parsed_2kel 1
43 "B 30" 131 1 131 8 parsed_2kel 1
44 "B 31" 134 1 134 8 parsed_2kel 1
45 "B 32" 137 1 137 8 parsed_2kel 1
46 "B 34" 140 1 140 8 parsed_2kel 1
47 "B 35" 143 1 143 7 parsed_2kel 1
48 "B 39" 146 1 146 8 parsed_2kel 1
49 "B 40" 149 1 149 8 parsed_2kel 1
50 "B 42" 152 1 152 8 parsed_2kel 1
51 "B 43" 155 1 155 8 parsed_2kel 1
52 "B 44" 158 1 158 8 parsed_2kel 1
53 "B 45" 161 1 161 8 parsed_2kel 1
54 "B 46" 164 1 164 8 parsed_2kel 1
55 "B 47" 167 1 167 8 parsed_2kel 1
56 "B 48" 170 1 170 8 parsed_2kel 1
57 "B 49" 173 1 173 8 parsed_2kel 1
58 "B 50" 176 1 176 8 parsed_2kel 1
59 "B 52" 179 1 179 8 parsed_2kel 1
60 "B 53" 182 1 182 8 parsed_2kel 1
stop_
save_
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