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 |
|
|
569419 |
4bxu   |
19368 | cing | 2-parsed | STAR | dihedral angle | 30 |
data_4bxu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_4bxu
_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_4bxu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_4bxu
_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 4bxu "Master copy" parsed_4bxu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_4bxu
_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 4bxu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_4bxu 1
1 4bxu.mr . . XPLOR/CNS 2 distance NOE ambi 175 parsed_4bxu 1
1 4bxu.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_4bxu 1
1 4bxu.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_4bxu 1
1 4bxu.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_4bxu 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_4bxu
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -186.00 0.00 . free 156 . C free 157 . N free 157 . CA free 157 . C parsed_4bxu 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.00 -44.00 . free 157 . C free 158 . N free 158 . CA free 158 . C parsed_4bxu 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.00 -38.00 . free 158 . C free 159 . N free 159 . CA free 159 . C parsed_4bxu 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -42.00 . free 159 . C free 160 . N free 160 . CA free 160 . C parsed_4bxu 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -58.00 . free 160 . C free 161 . N free 161 . CA free 161 . C parsed_4bxu 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.00 -51.00 . free 161 . C free 162 . N free 162 . CA free 162 . C parsed_4bxu 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -53.00 . free 162 . C free 163 . N free 163 . CA free 163 . C parsed_4bxu 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -44.00 . free 163 . C free 164 . N free 164 . CA free 164 . C parsed_4bxu 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -50.00 . free 164 . C free 165 . N free 165 . CA free 165 . C parsed_4bxu 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -53.00 . free 165 . C free 166 . N free 166 . CA free 166 . C parsed_4bxu 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -55.00 . free 166 . C free 167 . N free 167 . CA free 167 . C parsed_4bxu 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -46.00 . free 167 . C free 168 . N free 168 . CA free 168 . C parsed_4bxu 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -39.00 . free 168 . C free 169 . N free 169 . CA free 169 . C parsed_4bxu 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.00 -33.00 . free 169 . C free 170 . N free 170 . CA free 170 . C parsed_4bxu 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.00 -40.00 . free 170 . C free 171 . N free 171 . CA free 171 . C parsed_4bxu 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.00 191.00 . free 157 . N free 157 . CA free 157 . C free 158 . N parsed_4bxu 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.00 191.00 . free 158 . N free 158 . CA free 158 . C free 159 . N parsed_4bxu 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -9.00 . free 159 . N free 159 . CA free 159 . C free 160 . N parsed_4bxu 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.00 -21.00 . free 160 . N free 160 . CA free 160 . C free 161 . N parsed_4bxu 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.00 -31.00 . free 161 . N free 161 . CA free 161 . C free 162 . N parsed_4bxu 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.00 -17.00 . free 162 . N free 162 . CA free 162 . C free 163 . N parsed_4bxu 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 -22.00 . free 163 . N free 163 . CA free 163 . C free 164 . N parsed_4bxu 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -26.00 . free 164 . N free 164 . CA free 164 . C free 165 . N parsed_4bxu 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.00 -25.00 . free 165 . N free 165 . CA free 165 . C free 166 . N parsed_4bxu 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -10.00 . free 166 . N free 166 . CA free 166 . C free 167 . N parsed_4bxu 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -24.00 . free 167 . N free 167 . CA free 167 . C free 168 . N parsed_4bxu 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -26.00 . free 168 . N free 168 . CA free 168 . C free 169 . N parsed_4bxu 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.00 5.00 . free 169 . N free 169 . CA free 169 . C free 170 . N parsed_4bxu 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 22.00 . free 170 . N free 170 . CA free 170 . C free 171 . N parsed_4bxu 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.00 60.00 . free 171 . N free 171 . CA free 171 . C free 172 . N parsed_4bxu 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 "3. A 157 Phi -93.00 +/- 93.00 (-186.00 to 0.00)" 1 1 1 50 parsed_4bxu 1
2 "4. S 158 Phi -74.00 +/- 30.00 (-104.00 to -44.00)" 6 1 6 52 parsed_4bxu 1
3 "5. E 159 Phi -60.00 +/- 12.00 (-72.00 to -48.00)" 11 1 11 51 parsed_4bxu 1
4 "6. D 160 Phi -64.00 +/- 12.00 (-76.00 to -52.00)" 16 1 16 51 parsed_4bxu 1
5 "7. E 161 Phi -67.00 +/- 9.00 (-76.00 to -58.00)" 21 1 21 50 parsed_4bxu 1
6 "8. L 162 Phi -66.00 +/- 15.00 (-81.00 to -51.00)" 26 1 26 51 parsed_4bxu 1
7 "9. V 163 Phi -62.00 +/- 9.00 (-71.00 to -53.00)" 31 1 31 50 parsed_4bxu 1
8 "10. A 164 Phi -62.00 +/- 18.00 (-80.00 to -44.00)" 36 1 36 52 parsed_4bxu 1
9 "11. E 165 Phi -62.00 +/- 12.00 (-74.00 to -50.00)" 41 1 41 52 parsed_4bxu 1
10 "12. F 166 Phi -62.00 +/- 9.00 (-71.00 to -53.00)" 46 1 46 51 parsed_4bxu 1
11 "13. L 167 Phi -64.00 +/- 9.00 (-73.00 to -55.00)" 51 1 51 51 parsed_4bxu 1
12 "14. Q 168 Phi -65.00 +/- 9.00 (-74.00 to -56.00)" 56 1 56 51 parsed_4bxu 1
13 "15. D 169 Phi -67.00 +/- 18.00 (-85.00 to -49.00)" 61 1 61 52 parsed_4bxu 1
14 "16. Q 170 Phi -78.00 +/- 45.00 (-123.00 to -33.00)" 66 1 66 53 parsed_4bxu 1
15 "17. N 171 Phi -88.00 +/- 48.00 (-136.00 to -40.00)" 71 1 71 53 parsed_4bxu 1
16 "24. A 157 Psi 137.00 +/- 54.00 (83.00 to 191.00)" 76 1 76 51 parsed_4bxu 1
17 "25. S 158 Psi 161.00 +/- 30.00 (131.00 to 191.00)" 81 1 81 52 parsed_4bxu 1
18 "26. E 159 Psi -40.00 +/- 21.00 (-61.00 to -19.00)" 86 1 86 52 parsed_4bxu 1
19 "27. D 160 Psi -39.00 +/- 18.00 (-57.00 to -21.00)" 91 1 91 52 parsed_4bxu 1
20 "28. E 161 Psi -43.00 +/- 12.00 (-55.00 to -31.00)" 96 1 96 52 parsed_4bxu 1
21 "29. L 162 Psi -41.00 +/- 24.00 (-65.00 to -17.00)" 101 1 101 52 parsed_4bxu 1
22 "30. V 163 Psi -40.00 +/- 18.00 (-58.00 to -22.00)" 106 1 106 52 parsed_4bxu 1
23 "31. A 164 Psi -41.00 +/- 15.00 (-56.00 to -26.00)" 111 1 111 52 parsed_4bxu 1
24 "32. E 165 Psi -44.00 +/- 9.00 (-53.00 to -35.00)" 116 1 116 51 parsed_4bxu 1
25 "33. F 166 Psi -41.00 +/- 21.00 (-62.00 to -20.00)" 121 1 121 52 parsed_4bxu 1
26 "34. L 167 Psi -39.00 +/- 15.00 (-54.00 to -24.00)" 126 1 126 52 parsed_4bxu 1
27 "35. Q 168 Psi -41.00 +/- 15.00 (-56.00 to -26.00)" 131 1 131 52 parsed_4bxu 1
28 "36. D 169 Psi -28.00 +/- 33.00 (-61.00 to 5.00)" 136 1 136 50 parsed_4bxu 1
29 "37. Q 170 Psi -23.00 +/- 45.00 (-68.00 to 22.00)" 141 1 141 51 parsed_4bxu 1
30 "38. N 171 Psi -9.00 +/- 69.00 (-78.00 to 60.00)" 146 1 146 50 parsed_4bxu 1
stop_
save_
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