NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
32792 |
1h0t   |
cing | 2-parsed | STAR | dihedral angle | 36 |
data_1h0t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1h0t
_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_1h0t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1h0t
_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 1h0t "Master copy" parsed_1h0t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1h0t
_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 1h0t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 12 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 10 distance "hydrogen bond" simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 11 distance NOE simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 12 distance NOE simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 13 distance NOE simple 0 parsed_1h0t 1
1 1h0t.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1h0t 1
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1h0t
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 14 . Z 6 . n Z 6 . ca Z 6 . c Z 7 . n parsed_1h0t 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 1 . Z 7 . n Z 7 . ca Z 7 . c Z 8 . n parsed_1h0t 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -16 . Z 8 . n Z 8 . ca Z 8 . c Z 9 . n parsed_1h0t 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -17 . Z 9 . n Z 9 . ca Z 9 . c Z 10 . n parsed_1h0t 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 1 . Z 10 . n Z 10 . ca Z 10 . c Z 11 . n parsed_1h0t 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77 3 . Z 11 . n Z 11 . ca Z 11 . c Z 12 . n parsed_1h0t 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 22 . Z 12 . n Z 12 . ca Z 12 . c Z 13 . n parsed_1h0t 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -8 . Z 13 . n Z 13 . ca Z 13 . c Z 14 . n parsed_1h0t 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -20 . Z 14 . n Z 14 . ca Z 14 . c Z 15 . n parsed_1h0t 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . Z 15 . n Z 15 . ca Z 15 . c Z 16 . n parsed_1h0t 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -14 . Z 16 . n Z 16 . ca Z 16 . c Z 17 . n parsed_1h0t 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63 9 . Z 20 . n Z 20 . ca Z 20 . c Z 21 . n parsed_1h0t 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -3 . Z 25 . n Z 25 . ca Z 25 . c Z 26 . n parsed_1h0t 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -23 . Z 26 . n Z 26 . ca Z 26 . c Z 27 . n parsed_1h0t 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67 -11 . Z 27 . n Z 27 . ca Z 27 . c Z 28 . n parsed_1h0t 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57 -17 . Z 28 . n Z 28 . ca Z 28 . c Z 29 . n parsed_1h0t 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -10 . Z 29 . n Z 29 . ca Z 29 . c Z 30 . n parsed_1h0t 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82 -2 . Z 30 . n Z 30 . ca Z 30 . c Z 31 . n parsed_1h0t 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 -9 . Z 31 . n Z 31 . ca Z 31 . c Z 32 . n parsed_1h0t 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 -7 . Z 32 . n Z 32 . ca Z 32 . c Z 33 . n parsed_1h0t 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67 -11 . Z 33 . n Z 33 . ca Z 33 . c Z 34 . n parsed_1h0t 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -6 . Z 34 . n Z 34 . ca Z 34 . c Z 35 . n parsed_1h0t 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 1 . Z 35 . n Z 35 . ca Z 35 . c Z 36 . n parsed_1h0t 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 -9 . Z 41 . n Z 41 . ca Z 41 . c Z 42 . n parsed_1h0t 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -13 . Z 42 . n Z 42 . ca Z 42 . c Z 43 . n parsed_1h0t 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -3 . Z 43 . n Z 43 . ca Z 43 . c Z 44 . n parsed_1h0t 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71 -7 . Z 44 . n Z 44 . ca Z 44 . c Z 45 . n parsed_1h0t 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 -6 . Z 45 . n Z 45 . ca Z 45 . c Z 46 . n parsed_1h0t 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -9 . Z 46 . n Z 46 . ca Z 46 . c Z 47 . n parsed_1h0t 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -14 . Z 47 . n Z 47 . ca Z 47 . c Z 48 . n parsed_1h0t 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -8 . Z 48 . n Z 48 . ca Z 48 . c Z 49 . n parsed_1h0t 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -17 . Z 49 . n Z 49 . ca Z 49 . c Z 50 . n parsed_1h0t 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -2 . Z 50 . n Z 50 . ca Z 50 . c Z 51 . n parsed_1h0t 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . Z 51 . n Z 51 . ca Z 51 . c Z 52 . n parsed_1h0t 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -17 . Z 52 . n Z 52 . ca Z 52 . c Z 53 . n parsed_1h0t 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 7 . Z 53 . n Z 53 . ca Z 53 . c Z 54 . n parsed_1h0t 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 "Z Psi restraints from Talos (+/- 4xSD)" 1 1 5 2 parsed_1h0t 1
stop_
save_
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