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 |
|
|
537710 |
2lco   |
17619 | cing | 2-parsed | STAR | dihedral angle | 30 |
data_2lco_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lco
_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_2lco 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lco
_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 2lco "Master copy" parsed_2lco
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lco
_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 2lco.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lco 1
1 2lco.mr . . XPLOR/CNS 2 distance NOE simple 242 parsed_2lco 1
1 2lco.mr . . XPLOR/CNS 3 distance NOE ambi 74 parsed_2lco 1
1 2lco.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_2lco 1
1 2lco.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lco 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lco
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -56.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2lco 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -40.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2lco 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -55.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2lco 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -53.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2lco 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.00 -61.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2lco 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -42.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lco 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.00 -57.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2lco 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -49.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lco 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -48.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lco 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.00 -51.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lco 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.00 -53.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lco 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -44.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2lco 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.00 -53.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2lco 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -52.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lco 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lco 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -53.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lco 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -16.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2lco 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2lco 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 -2.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2lco 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 16.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2lco 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -13.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2lco 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.00 -5.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2lco 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.00 -13.00 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2lco 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 -18.00 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2lco 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.00 -10.00 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2lco 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -20.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lco 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 -14.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2lco 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -28.00 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2lco 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -36.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2lco 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -33.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2lco 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 "1. W 2 Phi -62.00 +/- 6.00 (-68.00 to -56.00)" 1 1 1 48 parsed_2lco 1
2 "2. W 3 Phi -70.00 +/- 30.00 (-100.00 to -40.00)" 6 1 6 50 parsed_2lco 1
3 "3. L 4 Phi -63.00 +/- 8.00 (-71.00 to -55.00)" 11 1 11 48 parsed_2lco 1
4 "4. A 5 Phi -75.00 +/- 22.00 (-97.00 to -53.00)" 16 1 16 49 parsed_2lco 1
5 "5. L 6 Phi -95.00 +/- 34.00 (-129.00 to -61.00)" 21 1 21 50 parsed_2lco 1
6 "6. P 8 Phi -56.00 +/- 14.00 (-70.00 to -42.00)" 26 1 26 49 parsed_2lco 1
7 "7. A 9 Phi -67.00 +/- 10.00 (-77.00 to -57.00)" 31 1 31 49 parsed_2lco 1
8 "8. L 10 Phi -69.00 +/- 20.00 (-89.00 to -49.00)" 36 1 36 50 parsed_2lco 1
9 "9. A 11 Phi -64.00 +/- 16.00 (-80.00 to -48.00)" 41 1 41 50 parsed_2lco 1
10 "10. L 12 Phi -65.00 +/- 14.00 (-79.00 to -51.00)" 46 1 46 51 parsed_2lco 1
11 "11. A 13 Phi -65.00 +/- 12.00 (-77.00 to -53.00)" 51 1 51 51 parsed_2lco 1
12 "12. L 14 Phi -70.00 +/- 26.00 (-96.00 to -44.00)" 56 1 56 51 parsed_2lco 1
13 "13. A 15 Phi -65.00 +/- 12.00 (-77.00 to -53.00)" 61 1 61 51 parsed_2lco 1
14 "14. L 16 Phi -64.00 +/- 12.00 (-76.00 to -52.00)" 66 1 66 51 parsed_2lco 1
15 "15. W 17 Phi -64.00 +/- 10.00 (-74.00 to -54.00)" 71 1 71 51 parsed_2lco 1
16 "16. W 18 Phi -61.00 +/- 8.00 (-69.00 to -53.00)" 76 1 76 50 parsed_2lco 1
17
;
17. W 2 Psi -42.00 +/- 10.00 (-52.00 to -32.00)
assign (resid 2 and name N) (resid 2 and name CA)
(resid 2 and name C) (resid 3 and name N) 1.0 -42.00 10.00 2
18. W 3 Psi -38.00 +/- 22.00 (-60.00 to -16.00)
;
82 1 87 50 parsed_2lco 1
18 "19. L 4 Psi -41.00 +/- 10.00 (-51.00 to -31.00)" 92 1 92 50 parsed_2lco 1
19 "20. A 5 Psi -30.00 +/- 28.00 (-58.00 to -2.00)" 97 1 97 49 parsed_2lco 1
20 "21. L 6 Psi -22.00 +/- 38.00 (-60.00 to 16.00)" 102 1 102 49 parsed_2lco 1
21 "22. P 8 Psi -31.00 +/- 18.00 (-49.00 to -13.00)" 107 1 107 50 parsed_2lco 1
22 "23. A 9 Psi -25.00 +/- 20.00 (-45.00 to -5.00)" 112 1 112 49 parsed_2lco 1
23 "24. L 10 Psi -35.00 +/- 22.00 (-57.00 to -13.00)" 117 1 117 51 parsed_2lco 1
24 "25. A 11 Psi -38.00 +/- 20.00 (-58.00 to -18.00)" 122 1 122 51 parsed_2lco 1
25 "26. L 12 Psi -38.00 +/- 28.00 (-66.00 to -10.00)" 127 1 127 51 parsed_2lco 1
26 "27. A 13 Psi -38.00 +/- 18.00 (-56.00 to -20.00)" 132 1 132 51 parsed_2lco 1
27 "28. L 14 Psi -36.00 +/- 22.00 (-58.00 to -14.00)" 137 1 137 51 parsed_2lco 1
28 "29. A 15 Psi -40.00 +/- 12.00 (-52.00 to -28.00)" 142 1 142 51 parsed_2lco 1
29
;
30. L 16 Psi -41.00 +/- 12.00 (-53.00 to -29.00)
assign (resid 16 and name N) (resid 16 and name CA)
(resid 16 and name C) (resid 17 and name N) 1.0 -41.00 12.00 2
31. W 17 Psi -44.00 +/- 8.00 (-52.00 to -36.00)
;
147 1 152 50 parsed_2lco 1
30 "32. W 18 Psi -43.00 +/- 10.00 (-53.00 to -33.00)" 157 1 157 51 parsed_2lco 1
stop_
save_
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