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 |
|
|
651423 |
6wpd   |
30745 | cing | 2-parsed | STAR | dihedral angle | 24 |
data_6wpd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6wpd
_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_6wpd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6wpd
_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 6wpd "Master copy" parsed_6wpd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6wpd
_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 6wpd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6wpd 1
1 6wpd.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_6wpd 1
1 6wpd.mr . . unknown 3 distance NOE simple 0 parsed_6wpd 1
1 6wpd.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6wpd 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6wpd
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.45 -78.69 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6wpd 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.89 -34.99 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6wpd 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.37 -53.53 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6wpd 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.67 -55.61 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6wpd 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.14 -60.64 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6wpd 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.62 -50.74 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6wpd 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.73 -53.37 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6wpd 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.23 -50.21 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6wpd 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.05 -51.17 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6wpd 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.45 -54.97 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6wpd 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.88 -53.74 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6wpd 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.55 -46.55 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6wpd 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.31 184.81 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6wpd 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.46 176.86 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6wpd 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.40 -32.86 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6wpd 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.99 -27.89 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6wpd 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.29 -36.43 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6wpd 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.51 -30.25 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6wpd 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.87 -29.45 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6wpd 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.21 -35.69 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6wpd 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.21 -25.87 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6wpd 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.11 -29.23 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6wpd 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.58 9.26 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6wpd 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.61 -16.71 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6wpd 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. I 2 Phi -122.07 +/- 43.38 (-165.44 to -78.69)" 2 1 2 51 parsed_6wpd 1
2 "2. L 3 Phi -94.94 +/- 59.95 (-154.89 to -34.99)" 7 1 7 50 parsed_6wpd 1
3 "3. D 4 Phi -58.95 +/- 5.42 (-64.37 to -53.53)" 12 1 12 48 parsed_6wpd 1
4 "4. A 5 Phi -63.14 +/- 7.53 (-70.67 to -55.61)" 17 1 17 48 parsed_6wpd 1
5 "5. I 6 Phi -66.89 +/- 6.25 (-73.14 to -60.64)" 22 1 22 48 parsed_6wpd 1
6 "6. K 7 Phi -60.18 +/- 9.44 (-69.62 to -50.74)" 27 1 27 48 parsed_6wpd 1
7 "7. A 8 Phi -64.05 +/- 10.68 (-74.73 to -53.37)" 32 1 32 49 parsed_6wpd 1
8 "8. I 9 Phi -64.72 +/- 14.51 (-79.23 to -50.21)" 37 1 37 49 parsed_6wpd 1
9 "9. A 10 Phi -62.61 +/- 11.44 (-74.04 to -51.17)" 42 1 42 50 parsed_6wpd 1
10 "10. K 11 Phi -62.71 +/- 7.74 (-70.45 to -54.98)" 47 1 47 50 parsed_6wpd 1
11 "11. A 12 Phi -64.81 +/- 11.07 (-75.88 to -53.73)" 52 1 52 51 parsed_6wpd 1
12 "12. A 13 Phi -66.55 +/- 20.00 (-86.55 to -46.55)" 57 1 57 51 parsed_6wpd 1
13 "13. I 2 Psi 163.06 +/- 21.75 (141.31 to 184.81)" 63 1 63 50 parsed_6wpd 1
14 "14. L 3 Psi 163.66 +/- 13.20 (150.46 to 176.86)" 68 1 68 50 parsed_6wpd 1
15 "15. D 4 Psi -41.63 +/- 8.77 (-50.39 to -32.86)" 73 1 73 49 parsed_6wpd 1
16 "16. A 5 Psi -41.94 +/- 14.05 (-55.99 to -27.88)" 78 1 78 50 parsed_6wpd 1
17 "17. I 6 Psi -43.36 +/- 6.93 (-50.29 to -36.43)" 83 1 83 49 parsed_6wpd 1
18 "18. K 7 Psi -42.38 +/- 12.13 (-54.52 to -30.25)" 88 1 88 50 parsed_6wpd 1
19 "19. A 8 Psi -38.66 +/- 9.21 (-47.87 to -29.45)" 93 1 93 49 parsed_6wpd 1
20 "20. I 9 Psi -46.45 +/- 10.76 (-57.20 to -35.69)" 98 1 98 50 parsed_6wpd 1
21 "21. A 10 Psi -40.04 +/- 14.17 (-54.21 to -25.88)" 103 1 103 51 parsed_6wpd 1
22 "22. K 11 Psi -37.67 +/- 8.44 (-46.11 to -29.23)" 108 1 108 50 parsed_6wpd 1
23 "23. A 12 Psi -27.16 +/- 36.42 (-63.58 to 9.25)" 113 1 113 49 parsed_6wpd 1
24 "24. A 13 Psi -36.66 +/- 19.95 (-56.61 to -16.71)" 118 1 118 51 parsed_6wpd 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 file 1: diedro_novo-dpc.tbl" 1 1 1 40 parsed_6wpd 1
stop_
save_
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