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 |
|
|
548662 |
2lsw   |
18449 | cing | 2-parsed | STAR | dihedral angle | 36 |
data_2lsw_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lsw
_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_2lsw 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lsw
_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 2lsw "Master copy" parsed_2lsw
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lsw
_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 2lsw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lsw 1
1 2lsw.mr . . XPLOR/CNS 2 distance NOE simple 622 parsed_2lsw 1
1 2lsw.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_2lsw 1
1 2lsw.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lsw 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lsw
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.2 -42.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lsw 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.3 31.1 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lsw 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.2 -45.4 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2lsw 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.7 18.5 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2lsw 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 -44.7 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2lsw 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2lsw 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -45.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lsw 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -8.8 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2lsw 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.1 -42.1 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lsw 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.9 -18.9 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2lsw 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.1 -42.1 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lsw 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.5 -17.9 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2lsw 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -49.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2lsw 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.2 -7.8 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2lsw 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.5 -39.1 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2lsw 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 14.8 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2lsw 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.6 -29.8 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2lsw 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.4 10.8 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2lsw 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2lsw 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.3 -18.3 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2lsw 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.4 -43.4 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2lsw 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.3 -13.7 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2lsw 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.5 -43.7 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2lsw 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.1 -7.1 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2lsw 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.8 -40.8 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2lsw 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.5 -15.7 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2lsw 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.3 -44.3 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2lsw 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.5 -7.1 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2lsw 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.9 -49.9 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2lsw 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.7 -1.7 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2lsw 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.9 -52.9 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2lsw 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.9 -4.1 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2lsw 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.1 -76.1 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2lsw 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53.6 141.8 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2lsw 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.7 50.9 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2lsw 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -72.8 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2lsw 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 "error margins are set to conservative default values of double the standard deviation observed in TALOS+, capped at a minimum of +/-20 degree." 1 3 1 153 parsed_2lsw 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 "#" 1 1 1 1 parsed_2lsw 1
stop_
save_
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