NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
614405 |
5u9r   |
30212 | cing | 2-parsed | STAR | dihedral angle | 42 |
data_5u9r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5u9r
_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_5u9r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5u9r
_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 5u9r "Master copy" parsed_5u9r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5u9r
_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 5u9r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5u9r 1
1 5u9r.mr . . XPLOR/CNS 2 distance NOE simple 540 parsed_5u9r 1
1 5u9r.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 42 parsed_5u9r 1
1 5u9r.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5u9r 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5u9r
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.83 -50.77 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_5u9r 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.99 -54.43 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5u9r 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.09 -47.45 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5u9r 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.56 -48.50 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5u9r 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.10 -55.34 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5u9r 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.87 -52.75 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5u9r 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.49 -50.85 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5u9r 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.32 -49.60 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5u9r 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.02 -53.68 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5u9r 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.07 -50.71 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5u9r 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.78 -55.84 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5u9r 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.43 -45.01 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5u9r 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.19 -58.67 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5u9r 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.00 -52.36 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5u9r 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.47 -49.83 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5u9r 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.62 -52.32 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5u9r 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.02 -46.88 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5u9r 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.41 -47.75 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5u9r 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.83 -46.89 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5u9r 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.65 -53.45 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5u9r 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.50 -55.36 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_5u9r 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.63 -30.07 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_5u9r 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.57 -34.67 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5u9r 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.01 -30.95 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5u9r 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.60 -32.04 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5u9r 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.66 -18.16 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5u9r 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.61 -29.99 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5u9r 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.87 -25.83 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5u9r 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.23 -31.87 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5u9r 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.23 -30.43 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5u9r 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.50 -24.26 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5u9r 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.28 -27.76 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5u9r 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.28 -21.64 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5u9r 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.26 -17.74 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5u9r 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.06 -19.42 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5u9r 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.17 -26.61 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5u9r 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.81 -36.75 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5u9r 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.42 -27.76 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5u9r 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.25 1.91 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5u9r 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.67 0.75 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_5u9r 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.54 -27.00 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5u9r 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.55 -29.09 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_5u9r 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. V 2 Phi -61.30 +/- 10.53 (-71.82 to -50.77)" 2 1 2 49 parsed_5u9r 1
2 "2. V 3 Phi -64.71 +/- 10.28 (-74.99 to -54.43)" 7 1 7 49 parsed_5u9r 1
3 "3. D 4 Phi -58.27 +/- 10.82 (-69.09 to -47.46)" 12 1 12 49 parsed_5u9r 1
4 "4. I 5 Phi -67.03 +/- 18.53 (-85.55 to -48.50)" 17 1 17 49 parsed_5u9r 1
5 "5. L 6 Phi -65.22 +/- 9.88 (-75.09 to -55.34)" 22 1 22 48 parsed_5u9r 1
6 "6. K 7 Phi -65.31 +/- 12.56 (-77.88 to -52.75)" 27 1 27 49 parsed_5u9r 1
7 "7. G 8 Phi -62.17 +/- 11.32 (-73.50 to -50.85)" 32 1 32 49 parsed_5u9r 1
8 "8. A 9 Phi -62.46 +/- 12.86 (-75.32 to -49.60)" 37 1 37 49 parsed_5u9r 1
9 "9. A 10 Phi -62.35 +/- 8.67 (-71.02 to -53.68)" 42 1 42 49 parsed_5u9r 1
10 "10. K 11 Phi -64.89 +/- 14.18 (-79.07 to -50.70)" 47 1 47 51 parsed_5u9r 1
11 "11. D 12 Phi -63.31 +/- 7.47 (-70.78 to -55.84)" 52 1 52 50 parsed_5u9r 1
12 "12. I 13 Phi -67.72 +/- 22.71 (-90.42 to -45.01)" 57 1 57 51 parsed_5u9r 1
13 "13. A 14 Phi -66.43 +/- 7.76 (-74.19 to -58.66)" 62 1 62 50 parsed_5u9r 1
14 "14. G 15 Phi -65.18 +/- 12.82 (-78.00 to -52.36)" 67 1 67 51 parsed_5u9r 1
15 "15. H 16 Phi -61.15 +/- 11.32 (-72.47 to -49.84)" 72 1 72 51 parsed_5u9r 1
16 "16. L 17 Phi -64.97 +/- 12.65 (-77.63 to -52.32)" 77 1 77 51 parsed_5u9r 1
17 "17. A 18 Phi -60.45 +/- 13.57 (-74.01 to -46.88)" 82 1 82 51 parsed_5u9r 1
18 "18. S 19 Phi -66.08 +/- 18.33 (-84.41 to -47.75)" 87 1 87 51 parsed_5u9r 1
19 "19. K 20 Phi -81.86 +/- 34.97 (-116.83 to -46.90)" 92 1 92 52 parsed_5u9r 1
20 "20. V 21 Phi -65.55 +/- 12.10 (-77.65 to -53.45)" 97 1 97 51 parsed_5u9r 1
21 "21. M 22 Phi -63.93 +/- 8.57 (-72.50 to -55.36)" 102 1 102 50 parsed_5u9r 1
22 "22. V 2 Psi -41.35 +/- 11.28 (-52.62 to -30.07)" 108 1 108 50 parsed_5u9r 1
23 "23. V 3 Psi -45.62 +/- 10.95 (-56.57 to -34.68)" 113 1 113 50 parsed_5u9r 1
24 "24. D 4 Psi -40.48 +/- 9.53 (-50.02 to -30.95)" 118 1 118 49 parsed_5u9r 1
25 "25. I 5 Psi -43.82 +/- 11.78 (-55.60 to -32.04)" 123 1 123 50 parsed_5u9r 1
26 "26. L 6 Psi -36.91 +/- 18.75 (-55.66 to -18.15)" 128 1 128 50 parsed_5u9r 1
27 "27. K 7 Psi -45.30 +/- 15.31 (-60.61 to -30.00)" 133 1 133 50 parsed_5u9r 1
28 "28. G 8 Psi -42.35 +/- 16.52 (-58.88 to -25.83)" 138 1 138 50 parsed_5u9r 1
29 "29. A 9 Psi -42.55 +/- 10.68 (-53.23 to -31.87)" 143 1 143 50 parsed_5u9r 1
30 "30. A 10 Psi -42.33 +/- 11.90 (-54.24 to -30.43)" 148 1 148 51 parsed_5u9r 1
31 "31. K 11 Psi -40.88 +/- 16.62 (-57.49 to -24.26)" 153 1 153 51 parsed_5u9r 1
32 "32. D 12 Psi -41.02 +/- 13.26 (-54.28 to -27.76)" 158 1 158 51 parsed_5u9r 1
33 "33. I 13 Psi -41.46 +/- 19.82 (-61.28 to -21.64)" 163 1 163 51 parsed_5u9r 1
34 "34. A 14 Psi -31.50 +/- 13.76 (-45.26 to -17.73)" 168 1 168 51 parsed_5u9r 1
35 "35. G 15 Psi -41.24 +/- 21.82 (-63.06 to -19.42)" 173 1 173 51 parsed_5u9r 1
36 "36. H 16 Psi -40.39 +/- 13.78 (-54.17 to -26.61)" 178 1 178 51 parsed_5u9r 1
37 "37. L 17 Psi -43.28 +/- 6.53 (-49.81 to -36.75)" 183 1 183 50 parsed_5u9r 1
38 "38. A 18 Psi -42.09 +/- 14.33 (-56.42 to -27.76)" 188 1 188 51 parsed_5u9r 1
39 "39. S 19 Psi -28.17 +/- 30.08 (-58.25 to 1.91)" 193 1 193 49 parsed_5u9r 1
40 "40. K 20 Psi -31.96 +/- 32.71 (-64.67 to 0.75)" 198 1 198 49 parsed_5u9r 1
41 "41. V 21 Psi -42.77 +/- 15.77 (-58.53 to -27.00)" 203 1 203 51 parsed_5u9r 1
42 "42. M 22 Psi -40.82 +/- 11.73 (-52.55 to -29.10)" 208 1 208 51 parsed_5u9r 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: AngleRestraints.tbl" 1 1 1 40 parsed_5u9r 1
stop_
save_
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