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 |
|
|
651415 |
6wpb   |
30744 | cing | 2-parsed | STAR | dihedral angle | 24 |
data_6wpb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6wpb
_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_6wpb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6wpb
_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 6wpb "Master copy" parsed_6wpb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6wpb
_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 6wpb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6wpb 1
1 6wpb.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_6wpb 1
1 6wpb.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_6wpb 1
1 6wpb.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6wpb 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6wpb
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.56 -40.60 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6wpb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.36 -57.12 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6wpb 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.91 -53.43 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6wpb 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.68 -49.10 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6wpb 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.70 -55.28 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6wpb 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.07 -49.97 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6wpb 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.28 -58.10 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6wpb 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.99 -54.49 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6wpb 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.04 -52.54 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6wpb 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.31 -58.01 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6wpb 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.35 -53.51 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6wpb 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.76 -55.62 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6wpb 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.10 -24.36 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6wpb 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.28 -26.26 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6wpb 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.38 -28.94 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6wpb 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -27.94 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6wpb 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.98 -33.18 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6wpb 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -29.80 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6wpb 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.52 -32.08 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6wpb 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.91 -34.63 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6wpb 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.09 -30.27 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6wpb 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.22 -24.78 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6wpb 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.71 13.71 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6wpb 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.33 -25.19 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6wpb 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 -56.58 +/- 15.98 (-72.56 to -40.60)" 2 1 2 49 parsed_6wpb 1
2 "2. L 3 Phi -64.74 +/- 7.62 (-72.36 to -57.12)" 7 1 7 48 parsed_6wpb 1
3 "3. D 4 Phi -65.67 +/- 12.24 (-77.92 to -53.43)" 12 1 12 49 parsed_6wpb 1
4 "4. A 5 Phi -69.39 +/- 20.29 (-89.68 to -49.11)" 17 1 17 49 parsed_6wpb 1
5 "5. I 6 Phi -63.99 +/- 8.71 (-72.69 to -55.28)" 22 1 22 48 parsed_6wpb 1
6 "6. K 7 Phi -60.02 +/- 10.05 (-70.08 to -49.97)" 27 1 27 49 parsed_6wpb 1
7 "7. A 8 Phi -62.69 +/- 4.59 (-67.28 to -58.09)" 32 1 32 48 parsed_6wpb 1
8 "8. I 9 Phi -64.74 +/- 10.25 (-74.98 to -54.49)" 37 1 37 49 parsed_6wpb 1
9 "9. A 10 Phi -61.79 +/- 9.25 (-71.04 to -52.54)" 42 1 42 49 parsed_6wpb 1
10 "10. K 11 Phi -63.16 +/- 5.15 (-68.31 to -58.01)" 47 1 47 50 parsed_6wpb 1
11 "11. A 12 Phi -64.93 +/- 11.42 (-76.34 to -53.51)" 52 1 52 51 parsed_6wpb 1
12 "12. A 13 Phi -67.19 +/- 11.57 (-78.76 to -55.62)" 57 1 57 51 parsed_6wpb 1
13 "13. I 2 Psi -41.23 +/- 16.87 (-58.09 to -24.36)" 63 1 63 50 parsed_6wpb 1
14 "14. L 3 Psi -39.77 +/- 13.51 (-53.28 to -26.26)" 68 1 68 50 parsed_6wpb 1
15 "15. D 4 Psi -41.16 +/- 12.22 (-53.38 to -28.93)" 73 1 73 50 parsed_6wpb 1
16 "16. A 5 Psi -40.97 +/- 13.03 (-54.00 to -27.94)" 78 1 78 50 parsed_6wpb 1
17 "17. I 6 Psi -43.58 +/- 10.40 (-53.98 to -33.18)" 83 1 83 50 parsed_6wpb 1
18 "18. K 7 Psi -41.40 +/- 11.60 (-53.00 to -29.80)" 88 1 88 50 parsed_6wpb 1
19 "19. A 8 Psi -38.80 +/- 6.72 (-45.52 to -32.09)" 93 1 93 49 parsed_6wpb 1
20 "20. I 9 Psi -44.27 +/- 9.64 (-53.91 to -34.63)" 98 1 98 49 parsed_6wpb 1
21 "21. A 10 Psi -40.68 +/- 10.41 (-51.09 to -30.27)" 103 1 103 51 parsed_6wpb 1
22 "22. K 11 Psi -35.50 +/- 10.72 (-46.22 to -24.78)" 108 1 108 51 parsed_6wpb 1
23 "23. A 12 Psi -25.50 +/- 39.21 (-64.71 to 13.71)" 113 1 113 50 parsed_6wpb 1
24 "24. A 13 Psi -37.76 +/- 12.57 (-50.33 to -25.19)" 118 1 118 51 parsed_6wpb 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_sds_novo.tbl" 1 1 1 40 parsed_6wpb 1
stop_
save_
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