NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
573094 |
2m5s   |
18566 | cing | 2-parsed | STAR | dihedral angle | 18 |
data_2m5s_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m5s
_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_2m5s 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m5s
_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 2m5s "Master copy" parsed_2m5s
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m5s
_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 2m5s.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m5s 1
1 2m5s.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 52 parsed_2m5s 1
1 2m5s.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_2m5s 1
1 2m5s.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2m5s 1
1 2m5s.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_2m5s 1
1 2m5s.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m5s 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m5s
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 341 . N . 341 . CA . 341 . CB . 341 . CG parsed_2m5s 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 333 . N . 333 . CA . 333 . CB . 333 . CG parsed_2m5s 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 327 . N . 327 . CA . 327 . CB . 327 . CG parsed_2m5s 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 320 . N . 320 . CA . 320 . CB . 320 . CG parsed_2m5s 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 319 . N . 319 . CA . 319 . CB . 319 . CG parsed_2m5s 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 317 . N . 317 . CA . 317 . CB . 317 . CG parsed_2m5s 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 316 . N . 316 . CA . 316 . CB . 316 . CG parsed_2m5s 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 307 . N . 307 . CA . 307 . CB . 307 . CG parsed_2m5s 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 305 . N . 305 . CA . 305 . CB . 305 . CG parsed_2m5s 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 295 . N . 295 . CA . 295 . CB . 295 . CG parsed_2m5s 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 292 . N . 292 . CA . 292 . CB . 292 . CG parsed_2m5s 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 291 . N . 291 . CA . 291 . CB . 291 . CG parsed_2m5s 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 280 . N . 280 . CA . 280 . CB . 280 . CG parsed_2m5s 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 279 . N . 279 . CA . 279 . CB . 279 . CG parsed_2m5s 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 274 . N . 274 . CA . 274 . CB . 274 . CG parsed_2m5s 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 272 . N . 272 . CA . 272 . CB . 272 . CG parsed_2m5s 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 256 . N . 256 . CA . 256 . CB . 256 . CG parsed_2m5s 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 236 . N . 236 . CA . 236 . CB . 236 . CG parsed_2m5s 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# chi1 angle restraints for telokin-like domain" 1 1 1 47 parsed_2m5s 1
stop_
save_
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