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 |
|
|
30349 |
1cfg   |
cing | recoord | 2-parsed | STAR | dihedral angle | 27 |
data_1cfg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1cfg
_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_1cfg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1cfg
_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 1cfg "Master copy" parsed_1cfg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1cfg
_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 1cfg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1cfg 1
1 1cfg.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1cfg 1
1 1cfg.mr . . DISCOVER 3 distance NOE simple 438 parsed_1cfg 1
1 1cfg.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 27 parsed_1cfg 1
1 1cfg.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1cfg 1
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1cfg
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 80.0 . 1 1 THRn HA 1 1 THRn CA 1 1 THRn CB 1 1 THRn HB parsed_1cfg 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.4 -135.6 . 1 2 ARG HN 1 2 ARG N 1 2 ARG CA 1 2 ARG HA parsed_1cfg 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.2 -131.7 . 1 3 TYR HN 1 3 TYR N 1 3 TYR CA 1 3 TYR HA parsed_1cfg 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . 1 3 TYR HA 1 3 TYR CA 1 3 TYR CB 1 3 TYR CG parsed_1cfg 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.6 -120.4 . 1 4 LEU HN 1 4 LEU N 1 4 LEU CA 1 4 LEU HA parsed_1cfg 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.5 -124.2 . 1 5 ARG HN 1 5 ARG N 1 5 ARG CA 1 5 ARG HA parsed_1cfg 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.9 -139.5 . 1 6 ILE HN 1 6 ILE N 1 6 ILE CA 1 6 ILE HA parsed_1cfg 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . 1 6 ILE HA 1 6 ILE CA 1 6 ILE CB 1 6 ILE HB parsed_1cfg 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.9 -139.9 . 1 7 HIS HN 1 7 HIS N 1 7 HIS CA 1 7 HIS HA parsed_1cfg 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 150.0 . 1 7 HIS HA 1 7 HIS CA 1 7 HIS CB 1 7 HIS CG parsed_1cfg 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -116.4 . 1 9 GLN HN 1 9 GLN N 1 9 GLN CA 1 9 GLN HA parsed_1cfg 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -116.4 . 1 10 SER HN 1 10 SER N 1 10 SER CA 1 10 SER HA parsed_1cfg 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -116.4 . 1 11 TRP HN 1 11 TRP N 1 11 TRP CA 1 11 TRP HA parsed_1cfg 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . 1 11 TRP HA 1 11 TRP CA 1 11 TRP CB 1 11 TRP CG parsed_1cfg 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -116.4 . 1 12 VAL HN 1 12 VAL N 1 12 VAL CA 1 12 VAL HA parsed_1cfg 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.8 -132.8 . 1 12 VAL HA 1 12 VAL CA 1 12 VAL CB 1 12 VAL HB parsed_1cfg 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -116.4 . 1 13 HIS HN 1 13 HIS N 1 13 HIS CA 1 13 HIS HA parsed_1cfg 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -116.4 . 1 14 GLN HN 1 14 GLN N 1 14 GLN CA 1 14 GLN HA parsed_1cfg 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.6 -120.4 . 1 15 ILE HN 1 15 ILE N 1 15 ILE CA 1 15 ILE HA parsed_1cfg 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 -130.0 . 1 15 ILE HA 1 15 ILE CA 1 15 ILE CB 1 15 ILE HB parsed_1cfg 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.2 -107.7 . 1 16 ALA HN 1 16 ALA N 1 16 ALA CA 1 16 ALA HA parsed_1cfg 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -116.4 . 1 17 LEU HN 1 17 LEU N 1 17 LEU CA 1 17 LEU HA parsed_1cfg 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.5 -124.2 . 1 18 ARG HN 1 18 ARG N 1 18 ARG CA 1 18 ARG HA parsed_1cfg 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.5 -119.2 . 1 19 MET HN 1 19 MET N 1 19 MET CA 1 19 MET HA parsed_1cfg 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.5 -124.2 . 1 20 GLU HN 1 20 GLU N 1 20 GLU CA 1 20 GLU HA parsed_1cfg 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.1 -137.1 . 1 21 VAL HN 1 21 VAL N 1 21 VAL CA 1 21 VAL HA parsed_1cfg 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.8 -139.8 . 1 21 VAL HA 1 21 VAL CA 1 21 VAL CB 1 21 VAL HB parsed_1cfg 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_1cfg 1
stop_
save_
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