NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
543840 |
2lif   |
17891 | cing | 2-parsed | STAR | dihedral angle | 43 |
data_2lif_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lif
_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_2lif 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lif
_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 2lif "Master copy" parsed_2lif
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lif
_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 2lif.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lif 1
1 2lif.mr . . XPLOR/CNS 2 distance NOE simple 139 parsed_2lif 1
1 2lif.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_2lif 1
1 2lif.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 43 parsed_2lif 1
1 2lif.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lif 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lif
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.0 -61.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2lif 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.0 134.0 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2lif 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -34.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2lif 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -14.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2lif 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -32.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lif 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -11.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2lif 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -34.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2lif 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -12.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2lif 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -32.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lif 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -12.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2lif 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -33.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lif 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -11.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2lif 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -33.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lif 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -13.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2lif 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -34.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lif 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -14.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lif 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -32.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2lif 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -14.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2lif 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -32.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2lif 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -14.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2lif 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -34.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lif 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2lif 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.0 -52.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lif 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -9.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2lif 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 -49.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lif 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 2.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2lif 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2lif 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -7.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2lif 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -36.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2lif 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -5.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2lif 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -37.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2lif 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -7.0 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2lif 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -34.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2lif 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -14.0 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2lif 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -33.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2lif 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -14.0 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2lif 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -33.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2lif 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -15.0 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2lif 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.0 -41.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2lif 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -3.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2lif 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 -51.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2lif 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -3.0 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2lif 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -44.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2lif 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 4F 5 1 6 4 parsed_2lif 1
2 7S 11 1 12 4 parsed_2lif 1
3 8I 17 1 17 4 parsed_2lif 1
4 9F 22 1 22 4 parsed_2lif 1
5 10L 27 1 27 5 parsed_2lif 1
6 11L 32 1 32 5 parsed_2lif 1
7 12A 37 1 37 5 parsed_2lif 1
8 13L 42 1 42 5 parsed_2lif 1
9 14L 47 1 47 5 parsed_2lif 1
10 15S 52 1 52 5 parsed_2lif 1
11 16C 57 1 57 5 parsed_2lif 1
12 17I 62 1 62 5 parsed_2lif 1
13 18T 67 1 67 5 parsed_2lif 1
14 19V 72 1 72 5 parsed_2lif 1
15 20P 77 1 77 5 parsed_2lif 1
16 21V 82 1 82 5 parsed_2lif 1
17 22S 87 1 87 5 parsed_2lif 1
18 23A 92 1 92 5 parsed_2lif 1
19 24A 97 1 97 5 parsed_2lif 1
20 25Q 102 1 102 5 parsed_2lif 1
21 26V 107 1 107 5 parsed_2lif 1
22 27K 112 1 112 5 parsed_2lif 1
23 end 115 1 115 5 parsed_2lif 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
;
restraints dihedral reset
!
nassign= 2000
;
2 1 4 14 parsed_2lif 1
stop_
save_
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