Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
45309 | 2e45 RC | 7365 | cing | 2-parsed | STAR | dihedral angle | 16 |
data_2e45_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2e45
_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_2e45 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2e45
_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 2e45 "Master copy" parsed_2e45
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2e45
_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 2e45.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2e45 1
1 2e45.mr . . XPLOR/CNS 2 distance NOE simple 653 parsed_2e45 1
1 2e45.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 16 parsed_2e45 1
1 2e45.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2e45 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2e45
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -67.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2e45 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -79.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2e45 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -86.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2e45 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -75.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2e45 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -82.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2e45 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -77.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2e45 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -79.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2e45 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.0 -71.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2e45 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -89.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2e45 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -77.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2e45 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -45.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2e45 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -87.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2e45 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -59.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2e45 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -76.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2e45 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -142.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2e45 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -137.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2e45 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 "dihedral restraints derived from HNHA experiment" 2 1 2 50 parsed_2e45 1
stop_
save_