Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
29471 | 1awx RC | cing | 2-parsed | STAR | dihedral angle | 52 |
data_1awx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1awx
_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_1awx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1awx
_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 1awx "Master copy" parsed_1awx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1awx
_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 1awx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1awx 1
1 1awx.mr . . XPLOR/CNS 2 distance NOE simple 355 parsed_1awx 1
1 1awx.mr . . XPLOR/CNS 3 distance NOE simple 299 parsed_1awx 1
1 1awx.mr . . XPLOR/CNS 4 distance NOE simple 105 parsed_1awx 1
1 1awx.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1awx 1
1 1awx.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 52 parsed_1awx 1
1 1awx.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_1awx 1
1 1awx.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1awx 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1awx
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_1awx 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_1awx 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG parsed_1awx 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . N . 16 . CA . 16 . CB . 16 . CG parsed_1awx 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 20 . N . 20 . CA . 20 . CB . 20 . CG parsed_1awx 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_1awx 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_1awx 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_1awx 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 33 . N . 33 . CA . 33 . CB . 33 . CG parsed_1awx 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 34 . N . 34 . CA . 34 . CB . 34 . CG parsed_1awx 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 38 . N . 38 . CA . 38 . CB . 38 . CG parsed_1awx 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 39 . N . 39 . CA . 39 . CB . 39 . CG parsed_1awx 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 43 . N . 43 . CA . 43 . CB . 43 . CG parsed_1awx 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 44 . N . 44 . CA . 44 . CB . 44 . CG parsed_1awx 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 47 . N . 47 . CA . 47 . CB . 47 . CG parsed_1awx 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 48 . N . 48 . CA . 48 . CB . 48 . CG parsed_1awx 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 50 . N . 50 . CA . 50 . CB . 50 . CG parsed_1awx 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 52 . N . 52 . CA . 52 . CB . 52 . CG parsed_1awx 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 55 . N . 55 . CA . 55 . CB . 55 . CG parsed_1awx 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 59 . N . 59 . CA . 59 . CB . 59 . CG parsed_1awx 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 60 . N . 60 . CA . 60 . CB . 60 . CG parsed_1awx 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 65 . N . 65 . CA . 65 . CB . 65 . CG parsed_1awx 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -225.0 -135.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG1 parsed_1awx 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1awx 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1awx 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1awx 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1awx 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1awx 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1awx 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1awx 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1awx 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1awx 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1awx 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1awx 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1awx 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1awx 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1awx 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1awx 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1awx 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1awx 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1awx 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1awx 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1awx 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1awx 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1awx 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1awx 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1awx 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1awx 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1awx 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1awx 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1awx 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1awx 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 "Chi_1 dihedral angles from hnhb-960627, noesy-960624 and tocsy-960701" 2 1 4 2 parsed_1awx 1
2 "Not sure" 66 1 66 11 parsed_1awx 1
3 "Not sure" 70 1 70 11 parsed_1awx 1
4 "Residue 12 Valine in g+ conformation" 75 1 75 39 parsed_1awx 1
5
;
Phi dihedral angles from hnha-960624
Phi = -120 +- 30 from 9.0 Hz >= Jhnha >= 8.0 Hz
Phi = -120 +- 20 from Jhnha >= 9.0 Hz
;
80 1 84 2 parsed_1awx 1
stop_
save_