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 |
|
|
537700 |
2lcn   |
17618 | cing | 2-parsed | STAR | dihedral angle | 30 |
data_2lcn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lcn
_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_2lcn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lcn
_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 2lcn "Master copy" parsed_2lcn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lcn
_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 2lcn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lcn 1
1 2lcn.mr . . XPLOR/CNS 2 distance NOE simple 260 parsed_2lcn 1
1 2lcn.mr . . XPLOR/CNS 3 distance NOE ambi 70 parsed_2lcn 1
1 2lcn.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_2lcn 1
1 2lcn.mr . . DYANA/DIANA 5 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2lcn 1
1 2lcn.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lcn 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lcn
_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_2lcn 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.27 -42.73 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2lcn 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.06 -56.12 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2lcn 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.18 -48.54 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2lcn 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.23 -44.43 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2lcn 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.00 -53.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2lcn 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.00 -49.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lcn 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.00 -31.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lcn 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -61.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lcn 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.92 -45.96 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lcn 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -51.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2lcn 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.97 -54.05 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2lcn 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.90 -54.24 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lcn 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.20 -54.44 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lcn 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -53.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lcn 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -33.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2lcn 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.28 -2.60 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2lcn 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.66 -23.40 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2lcn 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.13 -1.49 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2lcn 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.44 -3.14 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2lcn 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 30.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2lcn 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.00 31.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2lcn 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.00 26.00 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2lcn 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.00 -17.00 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2lcn 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.62 8.88 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lcn 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.00 -13.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2lcn 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.15 -27.85 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2lcn 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.46 -27.94 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2lcn 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.84 -35.94 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2lcn 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -36.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2lcn 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_2lcn 1
2 "2. W 3 Phi -69.50 +/- 26.77 (-96.27 to -42.72)" 6 1 6 49 parsed_2lcn 1
3 "3. L 4 Phi -63.59 +/- 7.47 (-71.05 to -56.12)" 11 1 11 48 parsed_2lcn 1
4 "4. A 5 Phi -68.36 +/- 19.82 (-88.18 to -48.54)" 16 1 16 49 parsed_2lcn 1
5 "5. L 6 Phi -69.83 +/- 25.40 (-95.23 to -44.43)" 21 1 21 49 parsed_2lcn 1
6 "6. A 7 Phi -83.00 +/- 30.00 (-113.00 to -53.00)" 26 1 26 50 parsed_2lcn 1
7 "7. L 8 Phi -79.00 +/- 30.00 (-109.00 to -49.00)" 31 1 31 50 parsed_2lcn 1
8 "8. A 11 Phi -71.00 +/- 40.00 (-111.00 to -31.00)" 36 1 36 51 parsed_2lcn 1
9 "9. L 12 Phi -67.00 +/- 6.00 (-73.00 to -61.00)" 41 1 41 49 parsed_2lcn 1
10 "10. A 13 Phi -67.44 +/- 21.48 (-88.92 to -45.96)" 46 1 46 51 parsed_2lcn 1
11 "11. L 14 Phi -67.00 +/- 16.00 (-83.00 to -51.00)" 51 1 51 51 parsed_2lcn 1
12 "12. A 15 Phi -67.51 +/- 13.46 (-80.97 to -54.05)" 56 1 56 51 parsed_2lcn 1
13 "13. L 16 Phi -63.57 +/- 9.33 (-72.90 to -54.24)" 61 1 61 50 parsed_2lcn 1
14 "14. W 17 Phi -64.32 +/- 9.88 (-74.20 to -54.44)" 66 1 66 50 parsed_2lcn 1
15 "15. W 18 Phi -61.00 +/- 8.00 (-69.00 to -53.00)" 71 1 71 50 parsed_2lcn 1
16 "16. W 2 Psi -43.00 +/- 10.00 (-53.00 to -33.00)" 77 1 77 50 parsed_2lcn 1
17 "17. W 3 Psi -35.94 +/- 33.34 (-69.28 to -2.61)" 82 1 82 49 parsed_2lcn 1
18 "18. L 4 Psi -39.03 +/- 15.63 (-54.66 to -23.40)" 87 1 87 50 parsed_2lcn 1
19 "19. A 5 Psi -30.81 +/- 29.32 (-60.13 to -1.49)" 92 1 92 49 parsed_2lcn 1
20 "20. L 6 Psi -29.79 +/- 26.65 (-56.44 to -3.15)" 97 1 97 49 parsed_2lcn 1
21 "21. A 7 Psi -20.00 +/- 50.00 (-70.00 to 30.00)" 102 1 102 49 parsed_2lcn 1
22 "22. L 8 Psi -17.00 +/- 48.00 (-65.00 to 31.00)" 107 1 107 49 parsed_2lcn 1
23 "23. A 11 Psi -20.00 +/- 46.00 (-66.00 to 26.00)" 112 1 112 50 parsed_2lcn 1
24 "24. L 12 Psi -37.00 +/- 20.00 (-57.00 to -17.00)" 117 1 117 51 parsed_2lcn 1
25 "25. A 13 Psi -32.87 +/- 41.75 (-74.62 to 8.88)" 122 1 122 49 parsed_2lcn 1
26 "26. L 14 Psi -37.00 +/- 24.00 (-61.00 to -13.00)" 127 1 127 51 parsed_2lcn 1
27 "27. A 15 Psi -41.50 +/- 13.65 (-55.14 to -27.85)" 132 1 132 51 parsed_2lcn 1
28 "28. L 16 Psi -40.70 +/- 12.76 (-53.46 to -27.94)" 137 1 137 51 parsed_2lcn 1
29 "29. W 17 Psi -44.39 +/- 8.45 (-52.84 to -35.95)" 142 1 142 50 parsed_2lcn 1
30 "30. W 18 Psi -44.00 +/- 8.00 (-52.00 to -36.00)" 147 1 147 50 parsed_2lcn 1
stop_
save_
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