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 |
|
|
603956 |
2nb6   |
25963 | cing | 2-parsed | STAR | dihedral angle | 20 |
data_2nb6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nb6
_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_2nb6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nb6
_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 2nb6 "Master copy" parsed_2nb6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nb6
_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 2nb6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nb6 1
1 2nb6.mr . . DYANA/DIANA 2 distance NOE simple 125 parsed_2nb6 1
1 2nb6.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 6 parsed_2nb6 1
1 2nb6.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_2nb6 1
1 2nb6.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nb6 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2nb6
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.9 -106.5 . . 2 CYSS . . . . . . . . . . . . . parsed_2nb6 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.5 170.5 . . 2 CYSS . . . . . . . . . . . . . parsed_2nb6 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.5 -97.2 . . 3 TYR . . . . . . . . . . . . . parsed_2nb6 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.4 156.7 . . 3 TYR . . . . . . . . . . . . . parsed_2nb6 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.7 170.5 . . 4 PRO . . . . . . . . . . . . . parsed_2nb6 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.2 -66.6 . . 5 VAL . . . . . . . . . . . . . parsed_2nb6 1
7 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.8 168.1 . . 5 VAL . . . . . . . . . . . . . parsed_2nb6 1
8 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . . 5 VAL . . . . . . . . . . . . . parsed_2nb6 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.7 -42.9 . . 7 TYR . . . . . . . . . . . . . parsed_2nb6 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.2 182.1 . . 7 TYR . . . . . . . . . . . . . parsed_2nb6 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.0 173.0 . . 8 PRO . . . . . . . . . . . . . parsed_2nb6 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.5 165.5 . . 9 PRO . . . . . . . . . . . . . parsed_2nb6 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.1 -82.3 . . 11 PHE . . . . . . . . . . . . . parsed_2nb6 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.3 164.7 . . 11 PHE . . . . . . . . . . . . . parsed_2nb6 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.9 -74.5 . . 12 THR . . . . . . . . . . . . . parsed_2nb6 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 153.6 . . 12 THR . . . . . . . . . . . . . parsed_2nb6 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.9 -104.8 . . 13 CYSS . . . . . . . . . . . . . parsed_2nb6 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.9 172.9 . . 13 CYSS . . . . . . . . . . . . . parsed_2nb6 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.4 -55.9 . . 14 ASP . . . . . . . . . . . . . parsed_2nb6 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.2 171.7 . . 14 ASP . . . . . . . . . . . . . parsed_2nb6 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 "2 c -126.712 150.540 10.108 6.971 0.775 0.825 25 8 Strong" 1 1 1 72 parsed_2nb6 1
2 "3 Y -118.354 122.551 10.586 17.075 0.773 0.842 25 9 Strong" 5 1 5 72 parsed_2nb6 1
3 "4 P -71.705 146.597 6.710 11.943 0.758 0.843 25 9 Strong" 9 1 9 72 parsed_2nb6 1
4 "4 PRO PHI -91.7 -51.7" 10 2 10 34 parsed_2nb6 1
5 "5 V -101.896 132.974 17.670 17.584 0.749 0.850 25 9 Strong" 13 1 13 72 parsed_2nb6 1
6 "6 P -68.367 141.186 9.384 19.928 0.813 0.848 25 9 Strong" 17 1 17 72 parsed_2nb6 1
7 "6 PRO PHI -88.4 -48.4" 18 2 18 34 parsed_2nb6 1
8 "6 PRO PSI 101.3 181.0" 19 2 19 34 parsed_2nb6 1
9 "7 Y -91.257 138.651 24.201 21.724 1.633 0.843 25 9 Strong" 21 1 21 72 parsed_2nb6 1
10 "8 P -64.443 152.997 6.757 7.757 1.206 0.816 25 9 Strong" 25 1 25 72 parsed_2nb6 1
11 "8 PRO PHI -84.4 -44.4" 26 2 26 34 parsed_2nb6 1
12 "9 P -65.303 145.522 6.859 7.634 1.003 0.806 25 9 Strong" 29 1 29 72 parsed_2nb6 1
13 "9 PRO PHI -85.3 -45.3" 30 2 30 34 parsed_2nb6 1
14 "11 F -111.223 140.535 14.445 12.098 0.926 0.870 25 9 Strong" 33 1 33 72 parsed_2nb6 1
15 "12 T -99.680 132.329 12.602 10.656 0.932 0.895 25 9 Strong" 37 1 37 72 parsed_2nb6 1
16 "13 c -127.825 152.874 11.524 7.840 0.900 0.906 25 9 Strong" 41 1 41 72 parsed_2nb6 1
17 "14 D -88.636 126.453 16.376 22.614 0.735 0.864 25 9 Strong" 45 1 45 72 parsed_2nb6 1
stop_
save_
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