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 |
|
|
642744 |
6mm4   |
30525 | cing | 2-parsed | STAR | dihedral angle | 35 |
data_6mm4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6mm4
_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_6mm4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6mm4
_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 6mm4 "Master copy" parsed_6mm4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6mm4
_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 6mm4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6mm4 1
1 6mm4.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 8 parsed_6mm4 1
1 6mm4.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_6mm4 1
1 6mm4.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 0 parsed_6mm4 1
1 6mm4.mr . . DYANA/DIANA 5 distance NOE simple 0 parsed_6mm4 1
1 6mm4.mr . . DYANA/DIANA 6 distance "general distance" simple 0 parsed_6mm4 1
1 6mm4.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6mm4 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6mm4
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.0 -61.3 . . 8 ASP . . . . . . . . . . . . . parsed_6mm4 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.2 16.5 . . 8 ASP . . . . . . . . . . . . . parsed_6mm4 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.6 -46.7 . . 9 ASN . . . . . . . . . . . . . parsed_6mm4 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51.1 184.8 . . 9 ASN . . . . . . . . . . . . . parsed_6mm4 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.3 173.1 . . 10 PRO . . . . . . . . . . . . . parsed_6mm4 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.4 169.4 . . 11 PRO . . . . . . . . . . . . . parsed_6mm4 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -55.0 . . 12 LEU . . . . . . . . . . . . . parsed_6mm4 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 159.7 . . 12 LEU . . . . . . . . . . . . . parsed_6mm4 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.4 -66.8 . . 13 THR . . . . . . . . . . . . . parsed_6mm4 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.2 178.0 . . 13 THR . . . . . . . . . . . . . parsed_6mm4 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.7 -109.4 . . 14 CYSS . . . . . . . . . . . . . parsed_6mm4 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.8 181.2 . . 14 CYSS . . . . . . . . . . . . . parsed_6mm4 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -192.4 -56.6 . . 16 GLN . . . . . . . . . . . . . parsed_6mm4 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.5 184.8 . . 16 GLN . . . . . . . . . . . . . parsed_6mm4 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 17 ASP . . . . . . . . . . . . . parsed_6mm4 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.5 -25.5 . . 17 ASP . . . . . . . . . . . . . parsed_6mm4 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -47.8 . . 18 SER . . . . . . . . . . . . . parsed_6mm4 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.9 16.2 . . 18 SER . . . . . . . . . . . . . parsed_6mm4 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.3 -55.2 . . 19 ASP . . . . . . . . . . . . . parsed_6mm4 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.5 32.3 . . 19 ASP . . . . . . . . . . . . . parsed_6mm4 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -39.9 . . 22 ALA . . . . . . . . . . . . . parsed_6mm4 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.6 154.6 . . 22 ALA . . . . . . . . . . . . . parsed_6mm4 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.1 110.2 . . 23 GLY . . . . . . . . . . . . . parsed_6mm4 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.2 23.2 . . 23 GLY . . . . . . . . . . . . . parsed_6mm4 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.8 -47.0 . . 24 CYSS . . . . . . . . . . . . . parsed_6mm4 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.1 173.1 . . 24 CYSS . . . . . . . . . . . . . parsed_6mm4 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.3 -0.3 . . 28 PRO . . . . . . . . . . . . . parsed_6mm4 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.4 -66.4 . . 29 ASN . . . . . . . . . . . . . parsed_6mm4 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.1 25.1 . . 29 ASN . . . . . . . . . . . . . parsed_6mm4 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.3 102.4 . . 30 GLY . . . . . . . . . . . . . parsed_6mm4 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -12.8 58.5 . . 30 GLY . . . . . . . . . . . . . parsed_6mm4 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.4 -67.7 . . 31 PHE . . . . . . . . . . . . . parsed_6mm4 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.7 168.5 . . 31 PHE . . . . . . . . . . . . . parsed_6mm4 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.4 -39.4 . . 32 CYSS . . . . . . . . . . . . . parsed_6mm4 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.3 175.9 . . 32 CYSS . . . . . . . . . . . . . parsed_6mm4 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 "Restraints file 2: 25F_dihedral.aco" 1 1 1 37 parsed_6mm4 1
stop_
save_
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