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 |
|
|
594945 |
2mud   |
25206 | cing | 2-parsed | STAR | dihedral angle | 22 |
data_2mud_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mud
_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_2mud 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mud
_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 2mud "Master copy" parsed_2mud
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mud
_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 2mud.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mud 1
1 2mud.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 parsed_2mud 1
1 2mud.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 parsed_2mud 1
1 2mud.mr . . DISCOVER 4 distance "hydrogen bond" simple 5 parsed_2mud 1
1 2mud.mr . . DISCOVER 5 distance NOE simple 242 parsed_2mud 1
1 2mud.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_2mud 1
1 2mud.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mud 1
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mud
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 1 GLU CA 1 1 GLU C 1 2 SER N 1 2 SER CA parsed_2mud 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 2 SER CA 1 2 SER C 1 3 ALA N 1 3 ALA CA parsed_2mud 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 3 ALA CA 1 3 ALA C 1 4 LYS N 1 4 LYS CA parsed_2mud 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 4 LYS CA 1 4 LYS C 1 5 HIS N 1 5 HIS CA parsed_2mud 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 5 HIS CA 1 5 HIS C 1 6 MET N 1 6 MET CA parsed_2mud 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 6 MET CA 1 6 MET C 1 7 PHE N 1 7 PHE CA parsed_2mud 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 7 PHE CA 1 7 PHE C 1 8 ASP N 1 8 ASP CA parsed_2mud 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 8 ASP CA 1 8 ASP C 1 9 ARG N 1 9 ARG CA parsed_2mud 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 9 ARG CA 1 9 ARG C 1 10 ILE N 1 10 ILE CA parsed_2mud 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 10 ILE CA 1 10 ILE C 1 11 GLY N 1 11 GLY CA parsed_2mud 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 11 GLY CA 1 11 GLY C 1 12 LYS N 1 12 LYS CA parsed_2mud 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 12 LYS CA 1 12 LYS C 1 13 ASP N 1 13 ASP CA parsed_2mud 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 13 ASP CA 1 13 ASP C 1 14 VAL N 1 14 VAL CA parsed_2mud 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 14 VAL CA 1 14 VAL C 1 15 TYR N 1 15 TYR CA parsed_2mud 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 15 TYR CA 1 15 TYR C 1 16 ASP N 1 16 ASP CA parsed_2mud 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 16 ASP CA 1 16 ASP C 1 17 LYS N 1 17 LYS CA parsed_2mud 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 17 LYS CA 1 17 LYS C 1 18 VAL N 1 18 VAL CA parsed_2mud 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 18 VAL CA 1 18 VAL C 1 19 LYS N 1 19 LYS CA parsed_2mud 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.000 180.000 . 1 19 LYS CA 1 19 LYS C 1 20 GLU N 1 20 GLU CA parsed_2mud 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . 1 1 GLU HN 1 1 GLU N 1 1 GLU CA 1 1 GLU HA parsed_2mud 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . 1 2 SER HN 1 2 SER N 1 2 SER CA 1 2 SER HA parsed_2mud 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . 1 8 ASP HN 1 8 ASP N 1 8 ASP CA 1 8 ASP HA parsed_2mud 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 3 1 4 13 parsed_2mud 1
2 3J_dihedral 24 1 25 12 parsed_2mud 1
3 "A=6.700, B=-1.300, C=1.500" 26 124 26 150 parsed_2mud 1
4 "A=6.700, B=-1.300, C=1.500" 27 124 27 150 parsed_2mud 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 4.000000E+02 2 1 2 12 parsed_2mud 1
stop_
save_
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