NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
613229 |
5u9x   |
30215 | cing | 2-parsed | STAR | dihedral angle | 41 |
data_5u9x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5u9x
_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_5u9x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5u9x
_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 5u9x "Master copy" parsed_5u9x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5u9x
_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 5u9x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5u9x 1
1 5u9x.mr . . XPLOR/CNS 2 distance NOE simple 510 parsed_5u9x 1
1 5u9x.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 41 parsed_5u9x 1
1 5u9x.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5u9x 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5u9x
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.43 -52.53 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_5u9x 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.25 -53.95 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5u9x 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.16 -53.32 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5u9x 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.85 -54.33 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5u9x 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -47.52 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5u9x 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.70 -54.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5u9x 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.46 -46.80 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5u9x 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.31 -54.25 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5u9x 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.55 -58.01 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5u9x 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.70 -56.60 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5u9x 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.77 -58.65 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5u9x 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.50 -50.12 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5u9x 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.61 -48.25 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5u9x 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.16 -48.12 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5u9x 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.33 -49.07 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5u9x 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.23 -34.51 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5u9x 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.48 -56.24 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5u9x 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.83 -49.03 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5u9x 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.83 -53.75 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5u9x 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.87 -47.19 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5u9x 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.97 -30.95 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_5u9x 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.79 -30.89 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5u9x 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.43 -26.79 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5u9x 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.45 -32.43 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5u9x 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.94 -18.28 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5u9x 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.17 -33.39 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5u9x 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.67 -26.07 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5u9x 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.25 -28.17 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5u9x 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.86 -28.82 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5u9x 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.57 -29.95 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5u9x 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.22 -24.92 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5u9x 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.11 -29.85 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5u9x 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.54 -25.76 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5u9x 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.88 -23.54 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5u9x 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.82 -9.12 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5u9x 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.52 4.74 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5u9x 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.94 -9.12 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5u9x 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.43 -19.45 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5u9x 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.26 34.46 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_5u9x 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.73 28.91 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5u9x 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.75 -1.71 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_5u9x 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 -61.48 +/- 8.95 (-70.44 to -52.53)" 2 1 2 48 parsed_5u9x 1
2 "2. V 3 Phi -63.60 +/- 9.65 (-73.25 to -53.95)" 7 1 7 48 parsed_5u9x 1
3 "3. D 4 Phi -62.24 +/- 8.92 (-71.17 to -53.32)" 12 1 12 48 parsed_5u9x 1
4 "4. I 5 Phi -63.59 +/- 9.26 (-72.85 to -54.34)" 17 1 17 48 parsed_5u9x 1
5 "5. L 6 Phi -65.76 +/- 18.24 (-84.00 to -47.53)" 22 1 22 49 parsed_5u9x 1
6 "6. K 7 Phi -65.35 +/- 11.35 (-76.70 to -54.00)" 27 1 27 49 parsed_5u9x 1
7 "7. G 8 Phi -64.63 +/- 17.83 (-82.45 to -46.80)" 32 1 32 49 parsed_5u9x 1
8 "8. A 9 Phi -65.78 +/- 11.53 (-77.31 to -54.24)" 37 1 37 49 parsed_5u9x 1
9 "9. A 10 Phi -63.78 +/- 5.77 (-69.55 to -58.01)" 42 1 42 49 parsed_5u9x 1
10 "10. K 11 Phi -65.65 +/- 9.05 (-74.70 to -56.60)" 47 1 47 50 parsed_5u9x 1
11 "11. D 12 Phi -65.21 +/- 6.56 (-71.77 to -58.64)" 52 1 52 50 parsed_5u9x 1
12 "12. I 13 Phi -64.31 +/- 14.19 (-78.50 to -50.12)" 57 1 57 51 parsed_5u9x 1
13 "13. A 14 Phi -62.43 +/- 14.18 (-76.61 to -48.25)" 62 1 62 51 parsed_5u9x 1
14 "14. G 15 Phi -63.14 +/- 15.02 (-78.15 to -48.12)" 67 1 67 51 parsed_5u9x 1
15 "15. H 16 Phi -62.20 +/- 13.13 (-75.33 to -49.07)" 72 1 72 51 parsed_5u9x 1
16 "16. L 17 Phi -68.37 +/- 33.86 (-102.23 to -34.50)" 77 1 77 52 parsed_5u9x 1
17 "17. A 18 Phi -65.86 +/- 9.62 (-75.48 to -56.23)" 82 1 82 50 parsed_5u9x 1
18 "18. S 19 Phi -65.43 +/- 16.40 (-81.83 to -49.03)" 87 1 87 51 parsed_5u9x 1
19 "19. K 20 Phi -75.29 +/- 21.54 (-96.83 to -53.75)" 92 1 92 51 parsed_5u9x 1
20 "20. V 21 Phi -87.53 +/- 40.34 (-127.87 to -47.20)" 97 1 97 52 parsed_5u9x 1
21 "22. V 2 Psi -46.46 +/- 15.51 (-61.97 to -30.95)" 102 1 102 50 parsed_5u9x 1
22 "23. V 3 Psi -40.84 +/- 9.95 (-50.79 to -30.88)" 107 1 107 49 parsed_5u9x 1
23 "24. D 4 Psi -40.11 +/- 13.32 (-53.43 to -26.79)" 112 1 112 50 parsed_5u9x 1
24 "25. I 5 Psi -42.94 +/- 10.51 (-53.45 to -32.42)" 117 1 117 50 parsed_5u9x 1
25 "26. L 6 Psi -39.11 +/- 20.83 (-59.94 to -18.28)" 122 1 122 50 parsed_5u9x 1
26 "27. K 7 Psi -43.28 +/- 9.89 (-53.17 to -33.40)" 127 1 127 49 parsed_5u9x 1
27 "28. G 8 Psi -42.87 +/- 16.80 (-59.67 to -26.08)" 132 1 132 50 parsed_5u9x 1
28 "29. A 9 Psi -38.21 +/- 10.04 (-48.24 to -28.17)" 137 1 137 50 parsed_5u9x 1
29 "30. A 10 Psi -41.34 +/- 12.52 (-53.85 to -28.82)" 142 1 142 51 parsed_5u9x 1
30 "31. K 11 Psi -42.26 +/- 12.31 (-54.56 to -29.95)" 147 1 147 51 parsed_5u9x 1
31 "32. D 12 Psi -40.57 +/- 15.65 (-56.22 to -24.91)" 152 1 152 51 parsed_5u9x 1
32 "33. I 13 Psi -41.98 +/- 12.13 (-54.12 to -29.85)" 157 1 157 51 parsed_5u9x 1
33 "34. A 14 Psi -42.15 +/- 16.39 (-58.54 to -25.76)" 162 1 162 51 parsed_5u9x 1
34 "35. G 15 Psi -44.21 +/- 20.67 (-64.88 to -23.54)" 167 1 167 51 parsed_5u9x 1
35 "36. H 16 Psi -34.47 +/- 25.35 (-59.82 to -9.12)" 172 1 172 50 parsed_5u9x 1
36 "37. L 17 Psi -26.89 +/- 31.63 (-58.52 to 4.73)" 177 1 177 49 parsed_5u9x 1
37 "38. A 18 Psi -31.03 +/- 21.91 (-52.94 to -9.12)" 182 1 182 50 parsed_5u9x 1
38 "39. S 19 Psi -42.44 +/- 22.99 (-65.42 to -19.45)" 187 1 187 51 parsed_5u9x 1
39 "40. K 20 Psi -16.40 +/- 50.86 (-67.26 to 34.46)" 192 1 192 50 parsed_5u9x 1
40 "41. V 21 Psi -22.41 +/- 51.32 (-73.73 to 28.91)" 197 1 197 50 parsed_5u9x 1
41 "42. M 22 Psi -32.73 +/- 31.02 (-63.75 to -1.72)" 202 1 202 50 parsed_5u9x 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_5u9x 1
stop_
save_
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