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 |
|
|
29026 |
1afo   |
cing | 2-parsed | STAR | dihedral angle | 26 |
data_1afo_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1afo
_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_1afo 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1afo
_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 1afo "Master copy" parsed_1afo
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1afo
_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 1afo.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1afo 1
1 1afo.mr . . XPLOR/CNS 2 distance NOE simple 422 parsed_1afo 1
1 1afo.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_1afo 1
1 1afo.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1afo 1
1 1afo.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_1afo 1
1 1afo.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1afo 1
1 1afo.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1afo 1
1 1afo.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1afo 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1afo
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 80 . c "a " 80 . ca "a " 80 . cb "a " 80 . cg2 parsed_1afo 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 80 . n "a " 80 . ca "a " 80 . cb "a " 80 . cg1 parsed_1afo 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 84 . c "a " 84 . ca "a " 84 . cb "a " 84 . cg2 parsed_1afo 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 84 . n "a " 84 . ca "a " 84 . cb "a " 84 . cg1 parsed_1afo 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 87 . n "a " 87 . ca "a " 87 . cb "a " 87 . cg2 parsed_1afo 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 81 . c "a " 81 . ca "a " 81 . cb "a " 81 . cg parsed_1afo 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 76 . n "a " 76 . ca "a " 76 . cb "a " 76 . cg2 parsed_1afo 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 88 . n "a " 88 . ca "a " 88 . cb "a " 88 . cg2 parsed_1afo 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 91 . n "a " 91 . ca "a " 91 . cb "a " 91 . cg2 parsed_1afo 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 76 . ca "a " 76 . cb "a " 76 . cg1 "a " 76 . cd1 parsed_1afo 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 88 . ca "a " 88 . cb "a " 88 . cg1 "a " 88 . cd1 parsed_1afo 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 91 . ca "a " 91 . cb "a " 91 . cg1 "a " 91 . cd1 parsed_1afo 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "a " 75 . ca "a " 75 . cb "a " 75 . cg "a " 75 . cd1 parsed_1afo 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 80 . c "b " 80 . ca "b " 80 . cb "b " 80 . cg2 parsed_1afo 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 80 . n "b " 80 . ca "b " 80 . cb "b " 80 . cg1 parsed_1afo 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 84 . c "b " 84 . ca "b " 84 . cb "b " 84 . cg2 parsed_1afo 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 84 . n "b " 84 . ca "b " 84 . cb "b " 84 . cg1 parsed_1afo 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 87 . n "b " 87 . ca "b " 87 . cb "b " 87 . cg2 parsed_1afo 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 81 . c "b " 81 . ca "b " 81 . cb "b " 81 . cg parsed_1afo 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 76 . n "b " 76 . ca "b " 76 . cb "b " 76 . cg2 parsed_1afo 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 88 . n "b " 88 . ca "b " 88 . cb "b " 88 . cg2 parsed_1afo 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 91 . n "b " 91 . ca "b " 91 . cb "b " 91 . cg2 parsed_1afo 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 76 . ca "b " 76 . cb "b " 76 . cg1 "b " 76 . cd1 parsed_1afo 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 88 . ca "b " 88 . cb "b " 88 . cg1 "b " 88 . cd1 parsed_1afo 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 91 . ca "b " 91 . cb "b " 91 . cg1 "b " 91 . cd1 parsed_1afo 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 195 . "b " 75 . ca "b " 75 . cb "b " 75 . cg "b " 75 . cd1 parsed_1afo 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
;
sidechain dihedral restraints derived from J-couplings measured using
2D constant-time spin-echo difference experiments
;
1 1 2 63 parsed_1afo 1
2 "chi-1 restraints" 7 1 7 25 parsed_1afo 1
3 "chi-2 restraints" 28 1 28 25 parsed_1afo 1
4 "chi-1 restraints" 41 1 41 25 parsed_1afo 1
5 "chi-2 restraints" 62 1 62 25 parsed_1afo 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
dihedral
;
4 1 5 11 parsed_1afo 1
stop_
save_
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