NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | item_count |
|
|
32295 |
1fsb   |
cing | recoord | 2-parsed | STAR | dihedral angle | 43 |
data_1fsb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1fsb
_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_1fsb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1fsb
_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 1fsb "Master copy" parsed_1fsb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1fsb
_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 1fsb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1fsb 1
1 1fsb.mr . . DISCOVER 2 distance "hydrogen bond" simple 11 parsed_1fsb 1
1 1fsb.mr . . DISCOVER 3 distance NOE simple 859 parsed_1fsb 1
1 1fsb.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1fsb 1
1 1fsb.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 43 parsed_1fsb 1
1 1fsb.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1fsb 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1fsb
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 5 GLN HA 1 5 GLN CA 1 5 GLN N 1 5 GLN HN parsed_1fsb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.0 -141.0 . 1 7 MET HA 1 7 MET CA 1 7 MET N 1 7 MET HN parsed_1fsb 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 12 GLN HA 1 12 GLN CA 1 12 GLN N 1 12 GLN HN parsed_1fsb 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 14 GLU HA 1 14 GLU CA 1 14 GLU N 1 14 GLU HN parsed_1fsb 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.0 -129.0 . 1 15 CYS HA 1 15 CYS CA 1 15 CYS N 1 15 CYS HN parsed_1fsb 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 16 LEU HA 1 16 LEU CA 1 16 LEU N 1 16 LEU HN parsed_1fsb 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 -126.0 . 1 18 THR HA 1 18 THR CA 1 18 THR N 1 18 THR HN parsed_1fsb 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 23 THR HA 1 23 THR CA 1 23 THR N 1 23 THR HN parsed_1fsb 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 24 CYS HA 1 24 CYS CA 1 24 CYS N 1 24 CYS HN parsed_1fsb 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 25 SER HA 1 25 SER CA 1 25 SER N 1 25 SER HN parsed_1fsb 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 30 PHE HA 1 30 PHE CA 1 30 PHE N 1 30 PHE HN parsed_1fsb 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 -145.0 . 1 36 GLU HA 1 36 GLU CA 1 36 GLU N 1 36 GLU HN parsed_1fsb 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 37 TYR HA 1 37 TYR CA 1 37 TYR N 1 37 TYR HN parsed_1fsb 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.0 -137.0 . 1 38 VAL HA 1 38 VAL CA 1 38 VAL N 1 38 VAL HN parsed_1fsb 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 4 CYS HA 1 4 CYS CA 1 4 CYS CB 1 4 CYS SG parsed_1fsb 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 5 GLN HA 1 5 GLN CA 1 5 GLN CB 1 5 GLN CG parsed_1fsb 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 6 ASP HA 1 6 ASP CA 1 6 ASP CB 1 6 ASP CG parsed_1fsb 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 7 MET HA 1 7 MET CA 1 7 MET CB 1 7 MET CG parsed_1fsb 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 8 SER HA 1 8 SER CA 1 8 SER CB 1 8 SER OG parsed_1fsb 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 10 SER HA 1 10 SER CA 1 10 SER CB 1 10 SER OG parsed_1fsb 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 11 LYS HA 1 11 LYS CA 1 11 LYS CB 1 11 LYS CG parsed_1fsb 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 12 GLN HA 1 12 GLN CA 1 12 GLN CB 1 12 GLN CG parsed_1fsb 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 14 GLU HA 1 14 GLU CA 1 14 GLU CB 1 14 GLU CG parsed_1fsb 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 15 CYS HA 1 15 CYS CA 1 15 CYS CB 1 15 CYS SG parsed_1fsb 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 16 LEU HA 1 16 LEU CA 1 16 LEU CB 1 16 LEU CG parsed_1fsb 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 17 GLU HA 1 17 GLU CA 1 17 GLU CB 1 17 GLU CG parsed_1fsb 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 21 ASN HA 1 21 ASN CA 1 21 ASN CB 1 21 ASN CG parsed_1fsb 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 34 GLU HA 1 34 GLU CA 1 34 GLU CB 1 34 GLU CG parsed_1fsb 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 35 CYS HA 1 35 CYS CA 1 35 CYS CB 1 35 CYS SG parsed_1fsb 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 39 ARG HA 1 39 ARG CA 1 39 ARG CB 1 39 ARG CG parsed_1fsb 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 140.0 . 1 40 GLUC HA 1 40 GLUC CA 1 40 GLUC CB 1 40 GLUC CG parsed_1fsb 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 36 GLU HA 1 36 GLU CA 1 36 GLU CB 1 36 GLU CG parsed_1fsb 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 22 TYR HA 1 22 TYR CA 1 22 TYR CB 1 22 TYR CG parsed_1fsb 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 25 SER HA 1 25 SER CA 1 25 SER CB 1 25 SER OG parsed_1fsb 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 31 TYR HA 1 31 TYR CA 1 31 TYR CB 1 31 TYR CG parsed_1fsb 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 24 CYS C 1 24 CYS CA 1 24 CYS CB 1 24 CYS SG parsed_1fsb 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 26 CYS C 1 26 CYS CA 1 26 CYS CB 1 26 CYS SG parsed_1fsb 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 27 TYR C 1 27 TYR CA 1 27 TYR CB 1 27 TYR CG parsed_1fsb 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 30 PHE C 1 30 PHE CA 1 30 PHE CB 1 30 PHE CG parsed_1fsb 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 37 TYR C 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG parsed_1fsb 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 80.0 . 1 18 THR HA 1 18 THR CA 1 18 THR CB 1 18 THR CG2 parsed_1fsb 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 80.0 . 1 23 THR HA 1 23 THR CA 1 23 THR CB 1 23 THR CG2 parsed_1fsb 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 38 VAL HA 1 38 VAL CA 1 38 VAL CB 1 38 VAL HB parsed_1fsb 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 3J_dihedral 1 1 1 12 parsed_1fsb 1
stop_
save_
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