NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
29550 |
1azj   |
4058 | cing | recoord | 2-parsed | STAR | dihedral angle | 42 |
data_1azj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1azj
_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_1azj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1azj
_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 1azj "Master copy" parsed_1azj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1azj
_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 1azj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1azj 1
1 1azj.mr . . DISCOVER 2 distance NOE simple 397 parsed_1azj 1
1 1azj.mr . . DISCOVER 3 "dihedral angle" "Not applicable" "Not applicable" 42 parsed_1azj 1
1 1azj.mr . . DISCOVER 4 distance "disulfide bond" simple 0 parsed_1azj 1
1 1azj.mr . . DISCOVER 5 distance NOE simple 0 parsed_1azj 1
1 1azj.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1azj 1
stop_
save_
save_Discover_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1azj
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.000 -50.000 . 1 1 THRN C 1 2 GLN N 1 2 GLN CA 1 2 GLN C parsed_1azj 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.000 -55.000 . 1 2 GLN C 1 3 SER N 1 3 SER CA 1 3 SER C parsed_1azj 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.000 -50.000 . 1 3 SER C 1 4 HIS N 1 4 HIS CA 1 4 HIS C parsed_1azj 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.000 -75.000 . 1 6 GLY C 1 7 GLN N 1 7 GLN CA 1 7 GLN C parsed_1azj 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 7 GLN C 1 8 CYS N 1 8 CYS CA 1 8 CYS C parsed_1azj 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 -45.000 . 1 10 GLY C 1 11 ILE N 1 11 ILE CA 1 11 ILE C parsed_1azj 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.000 -50.000 . 1 12 GLY C 1 13 TYR N 1 13 TYR CA 1 13 TYR C parsed_1azj 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.000 -80.000 . 1 13 TYR C 1 14 SER N 1 14 SER CA 1 14 SER C parsed_1azj 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.000 -85.000 . 1 16 PRO C 1 17 THR N 1 17 THR CA 1 17 THR C parsed_1azj 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . 1 17 THR C 1 18 VAL N 1 18 VAL CA 1 18 VAL C parsed_1azj 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.000 -50.000 . 1 18 VAL C 1 19 CYS N 1 19 CYS CA 1 19 CYS C parsed_1azj 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.000 -50.000 . 1 19 CYS C 1 20 ALA N 1 20 ALA CA 1 20 ALA C parsed_1azj 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 -45.000 . 1 20 ALA C 1 21 SER N 1 21 SER CA 1 21 SER C parsed_1azj 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 22 GLY C 1 23 THR N 1 23 THR CA 1 23 THR C parsed_1azj 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.000 -75.000 . 1 23 THR C 1 24 THR N 1 24 THR CA 1 24 THR C parsed_1azj 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.000 -50.000 . 1 24 THR C 1 25 CYS N 1 25 CYS CA 1 25 CYS C parsed_1azj 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.000 -75.000 . 1 25 CYS C 1 26 GLN N 1 26 GLN CA 1 26 GLN C parsed_1azj 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.000 -50.000 . 1 26 GLN C 1 27 VAL N 1 27 VAL CA 1 27 VAL C parsed_1azj 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -70.000 . 1 27 VAL C 1 28 LEU N 1 28 LEU CA 1 28 LEU C parsed_1azj 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 -45.000 . 1 30 PRO C 1 31 ALA N 1 31 ALA CA 1 31 ALA C parsed_1azj 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.000 -50.000 . 1 31 ALA C 1 32 TYR N 1 32 TYR CA 1 32 TYR C parsed_1azj 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 32 TYR C 1 33 SER N 1 33 SER CA 1 33 SER C parsed_1azj 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.000 -50.000 . 1 34 GLN C 1 35 CYS N 1 35 CYS CA 1 35 CYS C parsed_1azj 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 35 CYS C 1 36 LEUC N 1 36 LEUC CA 1 36 LEUC C parsed_1azj 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.000 55.000 . 1 3 SER N 1 3 SER CA 1 3 SER CB 1 3 SER OG parsed_1azj 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.000 -175.000 . 1 4 HIS N 1 4 HIS CA 1 4 HIS CB 1 4 HIS CG parsed_1azj 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.000 -35.000 . 1 5 TYR N 1 5 TYR CA 1 5 TYR CB 1 5 TYR CG parsed_1azj 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.000 -155.000 . 1 7 GLN N 1 7 GLN CA 1 7 GLN CB 1 7 GLN CG parsed_1azj 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.000 -35.000 . 1 11 ILE N 1 11 ILE CA 1 11 ILE CB 1 11 ILE CG1 parsed_1azj 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 13 TYR N 1 13 TYR CA 1 13 TYR CB 1 13 TYR CG parsed_1azj 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.000 80.000 . 1 14 SER N 1 14 SER CA 1 14 SER CB 1 14 SER OG parsed_1azj 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.000 20.000 . 1 16 PRO N 1 16 PRO CA 1 16 PRO CB 1 16 PRO CG parsed_1azj 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 18 VAL N 1 18 VAL CA 1 18 VAL CB 1 18 VAL CG1 parsed_1azj 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 19 CYS N 1 19 CYS CA 1 19 CYS CB 1 19 CYS SG parsed_1azj 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 85.000 . 1 23 THR N 1 23 THR CA 1 23 THR CB 1 23 THR CG2 parsed_1azj 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 25 CYS N 1 25 CYS CA 1 25 CYS CB 1 25 CYS SG parsed_1azj 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -160.000 . 1 26 GLN N 1 26 GLN CA 1 26 GLN CB 1 26 GLN CG parsed_1azj 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 27 VAL N 1 27 VAL CA 1 27 VAL CB 1 27 VAL CG1 parsed_1azj 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.000 -150.000 . 1 28 LEU N 1 28 LEU CA 1 28 LEU CB 1 28 LEU CG parsed_1azj 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.000 180.000 . 1 33 SER N 1 33 SER CA 1 33 SER CB 1 33 SER OG parsed_1azj 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 35 CYS N 1 35 CYS CA 1 35 CYS CB 1 35 CYS SG parsed_1azj 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.000 -40.000 . 1 36 LEUC N 1 36 LEUC CA 1 36 LEUC CB 1 36 LEUC CG parsed_1azj 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
;
NMR_dihedral
phi angles
;
1 1 2 12 parsed_1azj 1
2 "chi angles" 27 1 28 12 parsed_1azj 1
stop_
save_
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