NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
623313 |
5u9q   |
30211 | cing | 2-parsed | STAR | dihedral angle | 38 |
data_5u9q_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5u9q
_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_5u9q 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5u9q
_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 5u9q "Master copy" parsed_5u9q
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5u9q
_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 5u9q.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5u9q 1
1 5u9q.mr . . XPLOR/CNS 2 distance NOE simple 473 parsed_5u9q 1
1 5u9q.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_5u9q 1
1 5u9q.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5u9q 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5u9q
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.29 -43.15 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_5u9q 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.20 -51.40 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5u9q 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.75 -50.99 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5u9q 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.56 -48.50 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5u9q 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.10 -55.34 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5u9q 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.91 -51.03 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5u9q 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.96 -39.70 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5u9q 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.43 -52.15 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5u9q 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.41 -48.75 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5u9q 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.47 -58.51 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5u9q 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.66 -48.52 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5u9q 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.56 -47.66 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5u9q 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.37 -50.83 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5u9q 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.99 -55.39 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5u9q 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.44 -54.38 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5u9q 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.88 -56.38 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5u9q 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.19 -52.87 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5u9q 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.16 -54.52 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5u9q 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.82 -35.50 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5u9q 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.17 -29.51 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_5u9q 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.12 -28.58 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5u9q 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.41 -30.61 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5u9q 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.60 -32.04 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5u9q 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.66 -18.16 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5u9q 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.53 -17.31 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5u9q 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.95 -22.35 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5u9q 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.57 -31.43 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5u9q 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.77 -25.69 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5u9q 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.38 -28.42 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5u9q 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.33 -20.35 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5u9q 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.20 -25.20 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5u9q 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.65 -28.23 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5u9q 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.69 -35.35 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5u9q 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.14 -18.52 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5u9q 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.48 -33.70 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5u9q 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.34 -31.48 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5u9q 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.64 -4.96 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_5u9q 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.32 -11.90 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5u9q 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
;
!Ocellatin-LB1-tfe
1. V 2 Phi -58.22 +/- 15.07 (-73.29 to -43.15)
;
2 1 3 49 parsed_5u9q 1
2 "2. V 3 Phi -62.30 +/- 10.90 (-73.20 to -51.39)" 8 1 8 49 parsed_5u9q 1
3 "3. D 4 Phi -60.87 +/- 9.88 (-70.75 to -50.99)" 13 1 13 48 parsed_5u9q 1
4 "4. I 5 Phi -67.03 +/- 18.53 (-85.55 to -48.50)" 18 1 18 49 parsed_5u9q 1
5 "5. L 6 Phi -65.22 +/- 9.88 (-75.09 to -55.34)" 23 1 23 48 parsed_5u9q 1
6 "6. K 7 Phi -64.47 +/- 13.44 (-77.91 to -51.03)" 28 1 28 49 parsed_5u9q 1
7 "7. A 9 Phi -56.33 +/- 16.63 (-72.96 to -39.70)" 33 1 33 49 parsed_5u9q 1
8 "8. A 10 Phi -63.29 +/- 11.14 (-74.44 to -52.15)" 38 1 38 50 parsed_5u9q 1
9 "9. K 11 Phi -63.58 +/- 14.83 (-78.41 to -48.75)" 43 1 43 50 parsed_5u9q 1
10 "10. D 12 Phi -64.99 +/- 6.48 (-71.47 to -58.50)" 48 1 48 50 parsed_5u9q 1
11 "11. I 13 Phi -69.09 +/- 20.57 (-89.66 to -48.52)" 53 1 53 51 parsed_5u9q 1
12 "12. A 14 Phi -59.61 +/- 11.95 (-71.57 to -47.66)" 58 1 58 51 parsed_5u9q 1
13 "13. G 15 Phi -62.60 +/- 11.77 (-74.36 to -50.83)" 63 1 63 51 parsed_5u9q 1
14 "14. H 16 Phi -63.19 +/- 7.80 (-71.00 to -55.39)" 68 1 68 50 parsed_5u9q 1
15 "15. L 17 Phi -65.91 +/- 11.53 (-77.44 to -54.38)" 73 1 73 51 parsed_5u9q 1
16 "16. A 18 Phi -60.63 +/- 4.25 (-64.88 to -56.38)" 78 1 78 50 parsed_5u9q 1
17 "17. S 19 Phi -64.03 +/- 11.16 (-75.19 to -52.88)" 83 1 83 51 parsed_5u9q 1
18 "18. K 20 Phi -66.34 +/- 11.82 (-78.16 to -54.51)" 88 1 88 51 parsed_5u9q 1
19 "19. V 21 Phi -75.16 +/- 39.66 (-114.81 to -35.50)" 93 1 93 52 parsed_5u9q 1
20 "20. V 2 Psi -47.34 +/- 17.83 (-65.16 to -29.51)" 99 1 99 50 parsed_5u9q 1
21 "21. V 3 Psi -44.35 +/- 15.77 (-60.12 to -28.58)" 104 1 104 50 parsed_5u9q 1
22 "22. D 4 Psi -41.51 +/- 10.90 (-52.40 to -30.61)" 109 1 109 50 parsed_5u9q 1
23 "23. I 5 Psi -43.82 +/- 11.78 (-55.60 to -32.04)" 114 1 114 50 parsed_5u9q 1
24 "24. L 6 Psi -36.91 +/- 18.75 (-55.66 to -18.15)" 119 1 119 50 parsed_5u9q 1
25 "25. K 7 Psi -39.92 +/- 22.61 (-62.53 to -17.30)" 124 1 124 50 parsed_5u9q 1
26 "26. A 9 Psi -40.15 +/- 17.80 (-57.94 to -22.35)" 129 1 129 50 parsed_5u9q 1
27 "27. A 10 Psi -43.00 +/- 11.57 (-54.57 to -31.43)" 134 1 134 51 parsed_5u9q 1
28 "28. K 11 Psi -42.73 +/- 17.04 (-59.77 to -25.69)" 139 1 139 51 parsed_5u9q 1
29 "29. D 12 Psi -41.40 +/- 12.98 (-54.38 to -28.42)" 144 1 144 51 parsed_5u9q 1
30 "30. I 13 Psi -38.34 +/- 17.99 (-56.33 to -20.34)" 149 1 149 51 parsed_5u9q 1
31 "31. A 14 Psi -44.20 +/- 19.00 (-63.20 to -25.20)" 154 1 154 51 parsed_5u9q 1
32 "32. G 15 Psi -44.44 +/- 16.21 (-60.65 to -28.22)" 159 1 159 51 parsed_5u9q 1
33 "33. H 16 Psi -43.52 +/- 8.17 (-51.69 to -35.35)" 164 1 164 50 parsed_5u9q 1
34 "34. L 17 Psi -39.33 +/- 20.81 (-60.14 to -18.52)" 169 1 169 51 parsed_5u9q 1
35 "35. A 18 Psi -41.09 +/- 7.39 (-48.49 to -33.70)" 174 1 174 50 parsed_5u9q 1
36 "36. S 19 Psi -41.91 +/- 10.43 (-52.34 to -31.48)" 179 1 179 51 parsed_5u9q 1
37 "37. K 20 Psi -27.80 +/- 22.84 (-50.64 to -4.96)" 184 1 184 50 parsed_5u9q 1
38 "38. V 21 Psi -34.11 +/- 22.21 (-56.32 to -11.90)" 189 1 189 51 parsed_5u9q 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 2: ANGLE-restraints.tbl" 1 1 1 41 parsed_5u9q 1
stop_
save_
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