NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
600213 | 2n1n | 25568 | cing | 2-parsed | STAR | entry | full | 100 |
data_2n1n_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2n1n _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_2n1n 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2n1n _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 2n1n "Master copy" parsed_2n1n stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2n1n _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 2n1n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n1n 1 1 2n1n.mr . . XEASY 2 peak "Not applicable" "Not applicable" 0 parsed_2n1n 1 1 2n1n.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 28 parsed_2n1n 1 1 2n1n.mr . . DYANA/DIANA 4 distance "general distance" simple 18 parsed_2n1n 1 1 2n1n.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 54 parsed_2n1n 1 1 2n1n.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n1n 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2n1n _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER TOXIN 12-APR-15 2N1N *TITLE SOLUTION STRUCTURE OF VSTX1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: KAPPA-THERAPHOTOXIN-GR3A; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: KAPPA-TRTX-GR3A, VOLTAGE SENSOR TOXIN 1, VSTX1; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: GRAMMOSTOLA ROSEA; *SOURCE 3 ORGANISM_COMMON: CHILEAN RED-BACK,CHILEAN ROSE TARANTULA; *SOURCE 4 ORGANISM_TAXID: 432528; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PLIC *KEYWDS TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR H.Y.LAU, G.F.KING, M.MOBLI *REVDAT 1 02-MAR-16 2N1N 0 ; save_ save_DYANA/DIANA_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n1n _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n1n 1 2 1 . . . parsed_2n1n 1 3 1 . . . parsed_2n1n 1 4 1 . . . parsed_2n1n 1 5 1 . . . parsed_2n1n 1 6 1 . . . parsed_2n1n 1 7 1 . . . parsed_2n1n 1 8 1 . . . parsed_2n1n 1 9 1 . . . parsed_2n1n 1 10 1 . . . parsed_2n1n 1 11 1 . . . parsed_2n1n 1 12 1 . . . parsed_2n1n 1 13 1 . . . parsed_2n1n 1 14 1 . . . parsed_2n1n 1 15 1 . . . parsed_2n1n 1 16 1 . . . parsed_2n1n 1 17 1 . . . parsed_2n1n 1 18 1 . . . parsed_2n1n 1 19 1 . . . parsed_2n1n 1 20 1 . . . parsed_2n1n 1 21 1 . . . parsed_2n1n 1 22 1 . . . parsed_2n1n 1 23 1 . . . parsed_2n1n 1 24 1 . . . parsed_2n1n 1 25 1 . . . parsed_2n1n 1 26 1 . . . parsed_2n1n 1 27 1 . . . parsed_2n1n 1 28 1 . . . parsed_2n1n 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 7 MET H parsed_2n1n 1 1 1 2 . . . . . . . . . 29 CYSS O parsed_2n1n 1 2 1 1 . . . . . . . . . 7 MET N parsed_2n1n 1 2 1 2 . . . . . . . . . 29 CYSS O parsed_2n1n 1 3 1 1 . . . . . . . . . 21 VAL O parsed_2n1n 1 3 1 2 . . . . . . . . . 30 VAL H parsed_2n1n 1 4 1 1 . . . . . . . . . 21 VAL O parsed_2n1n 1 4 1 2 . . . . . . . . . 30 VAL N parsed_2n1n 1 5 1 1 . . . . . . . . . 21 VAL H parsed_2n1n 1 5 1 2 . . . . . . . . . 30 VAL O parsed_2n1n 1 6 1 1 . . . . . . . . . 21 VAL N parsed_2n1n 1 6 1 2 . . . . . . . . . 30 VAL O parsed_2n1n 1 7 1 1 . . . . . . . . . 8 TRP O parsed_2n1n 1 7 1 2 . . . . . . . . . 29 CYSS H parsed_2n1n 1 8 1 1 . . . . . . . . . 8 TRP O parsed_2n1n 1 8 1 2 . . . . . . . . . 29 CYSS N parsed_2n1n 1 9 1 1 . . . . . . . . . 23 SER O parsed_2n1n 1 9 1 2 . . . . . . . . . 27 LYS H parsed_2n1n 1 10 1 1 . . . . . . . . . 23 SER O parsed_2n1n 1 10 1 2 . . . . . . . . . 27 LYS N parsed_2n1n 1 11 1 1 . . . . . . . . . 23 SER H parsed_2n1n 1 11 1 2 . . . . . . . . . 28 TRP O parsed_2n1n 1 12 1 1 . . . . . . . . . 23 SER N parsed_2n1n 1 12 1 2 . . . . . . . . . 28 TRP O parsed_2n1n 1 13 1 1 . . . . . . . . . 19 ASP O parsed_2n1n 1 13 1 2 . . . . . . . . . 32 ALA H parsed_2n1n 1 14 1 1 . . . . . . . . . 19 ASP O parsed_2n1n 1 14 1 2 . . . . . . . . . 32 ALA N parsed_2n1n 1 15 1 1 . . . . . . . . . 7 MET H parsed_2n1n 1 15 1 2 . . . . . . . . . 29 CYSS O parsed_2n1n 1 16 1 1 . . . . . . . . . 7 MET N parsed_2n1n 1 16 1 2 . . . . . . . . . 29 CYSS O parsed_2n1n 1 17 1 1 . . . . . . . . . 21 VAL O parsed_2n1n 1 17 1 2 . . . . . . . . . 30 VAL H parsed_2n1n 1 18 1 1 . . . . . . . . . 21 VAL O parsed_2n1n 1 18 1 2 . . . . . . . . . 30 VAL N parsed_2n1n 1 19 1 1 . . . . . . . . . 21 VAL H parsed_2n1n 1 19 1 2 . . . . . . . . . 30 VAL O parsed_2n1n 1 20 1 1 . . . . . . . . . 21 VAL N parsed_2n1n 1 20 1 2 . . . . . . . . . 30 VAL O parsed_2n1n 1 21 1 1 . . . . . . . . . 8 TRP O parsed_2n1n 1 21 1 2 . . . . . . . . . 29 CYSS H parsed_2n1n 1 22 1 1 . . . . . . . . . 8 TRP O parsed_2n1n 1 22 1 2 . . . . . . . . . 29 CYSS N parsed_2n1n 1 23 1 1 . . . . . . . . . 23 SER O parsed_2n1n 1 23 1 2 . . . . . . . . . 27 LYS H parsed_2n1n 1 24 1 1 . . . . . . . . . 23 SER O parsed_2n1n 1 24 1 2 . . . . . . . . . 27 LYS N parsed_2n1n 1 25 1 1 . . . . . . . . . 23 SER H parsed_2n1n 1 25 1 2 . . . . . . . . . 28 TRP O parsed_2n1n 1 26 1 1 . . . . . . . . . 23 SER N parsed_2n1n 1 26 1 2 . . . . . . . . . 28 TRP O parsed_2n1n 1 27 1 1 . . . . . . . . . 19 ASP O parsed_2n1n 1 27 1 2 . . . . . . . . . 32 ALA H parsed_2n1n 1 28 1 1 . . . . . . . . . 19 ASP O parsed_2n1n 1 28 1 2 . . . . . . . . . 32 ALA N parsed_2n1n 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 1.80 parsed_2n1n 1 2 1 . . . . . . . 2.70 parsed_2n1n 1 3 1 . . . . . . . 1.80 parsed_2n1n 1 4 1 . . . . . . . 2.70 parsed_2n1n 1 5 1 . . . . . . . 1.80 parsed_2n1n 1 6 1 . . . . . . . 2.70 parsed_2n1n 1 7 1 . . . . . . . 1.80 parsed_2n1n 1 8 1 . . . . . . . 2.70 parsed_2n1n 1 9 1 . . . . . . . 1.80 parsed_2n1n 1 10 1 . . . . . . . 2.70 parsed_2n1n 1 11 1 . . . . . . . 1.80 parsed_2n1n 1 12 1 . . . . . . . 2.70 parsed_2n1n 1 13 1 . . . . . . . 1.80 parsed_2n1n 1 14 1 . . . . . . . 2.70 parsed_2n1n 1 15 1 . . . . . . . 2.20 parsed_2n1n 1 16 1 . . . . . . . 3.40 parsed_2n1n 1 17 1 . . . . . . . 2.20 parsed_2n1n 1 18 1 . . . . . . . 3.40 parsed_2n1n 1 19 1 . . . . . . . 2.20 parsed_2n1n 1 20 1 . . . . . . . 3.40 parsed_2n1n 1 21 1 . . . . . . . 2.20 parsed_2n1n 1 22 1 . . . . . . . 3.40 parsed_2n1n 1 23 1 . . . . . . . 2.20 parsed_2n1n 1 24 1 . . . . . . . 3.40 parsed_2n1n 1 25 1 . . . . . . . 2.20 parsed_2n1n 1 26 1 . . . . . . . 3.40 parsed_2n1n 1 27 1 . . . . . . . 2.20 parsed_2n1n 1 28 1 . . . . . . . 3.40 parsed_2n1n 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n1n _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2n1n 2 2 1 . . . parsed_2n1n 2 3 1 . . . parsed_2n1n 2 4 1 . . . parsed_2n1n 2 5 1 . . . parsed_2n1n 2 6 1 . . . parsed_2n1n 2 7 1 . . . parsed_2n1n 2 8 1 . . . parsed_2n1n 2 9 1 . . . parsed_2n1n 2 10 1 . . . parsed_2n1n 2 11 1 . . . parsed_2n1n 2 12 1 . . . parsed_2n1n 2 13 1 . . . parsed_2n1n 2 14 1 . . . parsed_2n1n 2 15 1 . . . parsed_2n1n 2 16 1 . . . parsed_2n1n 2 17 1 . . . parsed_2n1n 2 18 1 . . . parsed_2n1n 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 3 CYSS SG parsed_2n1n 2 1 1 2 . . . . . . . . . 17 CYSS SG parsed_2n1n 2 2 1 1 . . . . . . . . . 3 CYSS SG parsed_2n1n 2 2 1 2 . . . . . . . . . 17 CYSS CB parsed_2n1n 2 3 1 1 . . . . . . . . . 3 CYSS CB parsed_2n1n 2 3 1 2 . . . . . . . . . 17 CYSS SG parsed_2n1n 2 4 1 1 . . . . . . . . . 10 CYSS SG parsed_2n1n 2 4 1 2 . . . . . . . . . 22 CYSS SG parsed_2n1n 2 5 1 1 . . . . . . . . . 10 CYSS SG parsed_2n1n 2 5 1 2 . . . . . . . . . 22 CYSS CB parsed_2n1n 2 6 1 1 . . . . . . . . . 10 CYSS CB parsed_2n1n 2 6 1 2 . . . . . . . . . 22 CYSS SG parsed_2n1n 2 7 1 1 . . . . . . . . . 16 CYSS SG parsed_2n1n 2 7 1 2 . . . . . . . . . 29 CYSS SG parsed_2n1n 2 8 1 1 . . . . . . . . . 16 CYSS SG parsed_2n1n 2 8 1 2 . . . . . . . . . 29 CYSS CB parsed_2n1n 2 9 1 1 . . . . . . . . . 16 CYSS CB parsed_2n1n 2 9 1 2 . . . . . . . . . 29 CYSS SG parsed_2n1n 2 10 1 1 . . . . . . . . . 3 CYSS SG parsed_2n1n 2 10 1 2 . . . . . . . . . 17 CYSS SG parsed_2n1n 2 11 1 1 . . . . . . . . . 3 CYSS SG parsed_2n1n 2 11 1 2 . . . . . . . . . 17 CYSS CB parsed_2n1n 2 12 1 1 . . . . . . . . . 3 CYSS CB parsed_2n1n 2 12 1 2 . . . . . . . . . 17 CYSS SG parsed_2n1n 2 13 1 1 . . . . . . . . . 10 CYSS SG parsed_2n1n 2 13 1 2 . . . . . . . . . 22 CYSS SG parsed_2n1n 2 14 1 1 . . . . . . . . . 10 CYSS SG parsed_2n1n 2 14 1 2 . . . . . . . . . 22 CYSS CB parsed_2n1n 2 15 1 1 . . . . . . . . . 10 CYSS CB parsed_2n1n 2 15 1 2 . . . . . . . . . 22 CYSS SG parsed_2n1n 2 16 1 1 . . . . . . . . . 16 CYSS SG parsed_2n1n 2 16 1 2 . . . . . . . . . 29 CYSS SG parsed_2n1n 2 17 1 1 . . . . . . . . . 16 CYSS SG parsed_2n1n 2 17 1 2 . . . . . . . . . 29 CYSS CB parsed_2n1n 2 18 1 1 . . . . . . . . . 16 CYSS CB parsed_2n1n 2 18 1 2 . . . . . . . . . 29 CYSS SG parsed_2n1n 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 1.98 parsed_2n1n 2 2 1 . . . . . . . 2.90 parsed_2n1n 2 3 1 . . . . . . . 2.90 parsed_2n1n 2 4 1 . . . . . . . 1.98 parsed_2n1n 2 5 1 . . . . . . . 2.90 parsed_2n1n 2 6 1 . . . . . . . 2.90 parsed_2n1n 2 7 1 . . . . . . . 1.98 parsed_2n1n 2 8 1 . . . . . . . 2.90 parsed_2n1n 2 9 1 . . . . . . . 2.90 parsed_2n1n 2 10 1 . . . . . . . 2.12 parsed_2n1n 2 11 1 . . . . . . . 3.50 parsed_2n1n 2 12 1 . . . . . . . 3.50 parsed_2n1n 2 13 1 . . . . . . . 2.12 parsed_2n1n 2 14 1 . . . . . . . 3.50 parsed_2n1n 2 15 1 . . . . . . . 3.50 parsed_2n1n 2 16 1 . . . . . . . 2.12 parsed_2n1n 2 17 1 . . . . . . . 3.50 parsed_2n1n 2 18 1 . . . . . . . 3.50 parsed_2n1n 2 stop_ save_ save_DYANA/DIANA_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2n1n _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.2 -130.2 . . 3 CYS . . . . . . . . . . . . . parsed_2n1n 1 2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.9 182.9 . . 3 CYS . . . . . . . . . . . . . parsed_2n1n 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.7 -49.2 . . 5 LYS . . . . . . . . . . . . . parsed_2n1n 1 4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.1 168.1 . . 5 LYS . . . . . . . . . . . . . parsed_2n1n 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.1 -129.1 . . 10 CYS . . . . . . . . . . . . . parsed_2n1n 1 6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.4 180.4 . . 10 CYS . . . . . . . . . . . . . parsed_2n1n 1 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.2 -113.7 . . 12 ASN . . . . . . . . . . . . . parsed_2n1n 1 8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.3 179.7 . . 12 ASN . . . . . . . . . . . . . parsed_2n1n 1 9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.9 -41.9 . . 13 SER . . . . . . . . . . . . . parsed_2n1n 1 10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.5 -9.5 . . 13 SER . . . . . . . . . . . . . parsed_2n1n 1 11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.1 -51.1 . . 14 ASN . . . . . . . . . . . . . parsed_2n1n 1 12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.3 7.7 . . 14 ASN . . . . . . . . . . . . . parsed_2n1n 1 13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.0 -67.0 . . 15 ASP . . . . . . . . . . . . . parsed_2n1n 1 14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.7 11.3 . . 15 ASP . . . . . . . . . . . . . parsed_2n1n 1 15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -61.3 . . 16 CYS . . . . . . . . . . . . . parsed_2n1n 1 16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.1 169.3 . . 16 CYS . . . . . . . . . . . . . parsed_2n1n 1 17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 44.9 84.9 . . 19 ASP . . . . . . . . . . . . . parsed_2n1n 1 18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.4 43.5 . . 19 ASP . . . . . . . . . . . . . parsed_2n1n 1 19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.3 -88.6 . . 20 LEU . . . . . . . . . . . . . parsed_2n1n 1 20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.7 162.1 . . 20 LEU . . . . . . . . . . . . . parsed_2n1n 1 21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.4 -105.9 . . 21 VAL . . . . . . . . . . . . . parsed_2n1n 1 22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.6 174.0 . . 21 VAL . . . . . . . . . . . . . parsed_2n1n 1 23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.6 -58.0 . . 22 CYS . . . . . . . . . . . . . parsed_2n1n 1 24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 146.0 . . 22 CYS . . . . . . . . . . . . . parsed_2n1n 1 25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.4 -54.5 . . 23 SER . . . . . . . . . . . . . parsed_2n1n 1 26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.4 133.4 . . 23 SER . . . . . . . . . . . . . parsed_2n1n 1 27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.7 -48.7 . . 24 SER . . . . . . . . . . . . . parsed_2n1n 1 28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -8.0 . . 24 SER . . . . . . . . . . . . . parsed_2n1n 1 29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.9 -46.9 . . 25 ARG . . . . . . . . . . . . . parsed_2n1n 1 30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 -17.6 . . 25 ARG . . . . . . . . . . . . . parsed_2n1n 1 31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.4 74.4 . . 27 LYS . . . . . . . . . . . . . parsed_2n1n 1 32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.7 65.7 . . 27 LYS . . . . . . . . . . . . . parsed_2n1n 1 33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -63.0 . . 28 TRP . . . . . . . . . . . . . parsed_2n1n 1 34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.8 176.7 . . 28 TRP . . . . . . . . . . . . . parsed_2n1n 1 35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -56.6 . . 29 CYS . . . . . . . . . . . . . parsed_2n1n 1 36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.9 158.9 . . 29 CYS . . . . . . . . . . . . . parsed_2n1n 1 37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.5 -114.2 . . 30 VAL . . . . . . . . . . . . . parsed_2n1n 1 38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.0 179.4 . . 30 VAL . . . . . . . . . . . . . parsed_2n1n 1 39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.3 -42.2 . . 33 SER . . . . . . . . . . . . . parsed_2n1n 1 40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.7 163.2 . . 33 SER . . . . . . . . . . . . . parsed_2n1n 1 41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.3 -27.1 . . 2 GLU . . . . . . . . . . . . . parsed_2n1n 1 42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.5 174.1 . . 2 GLU . . . . . . . . . . . . . parsed_2n1n 1 43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -48.0 . . 6 PHE . . . . . . . . . . . . . parsed_2n1n 1 44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.8 161.5 . . 6 PHE . . . . . . . . . . . . . parsed_2n1n 1 45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 7 MET . . . . . . . . . . . . . parsed_2n1n 1 46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.4 -13.4 . . 7 MET . . . . . . . . . . . . . parsed_2n1n 1 47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.2 -29.2 . . 17 CYS . . . . . . . . . . . . . parsed_2n1n 1 48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 187.1 . . 17 CYS . . . . . . . . . . . . . parsed_2n1n 1 49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.4 -76.1 . . 26 TRP . . . . . . . . . . . . . parsed_2n1n 1 50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.5 21.9 . . 26 TRP . . . . . . . . . . . . . parsed_2n1n 1 51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.5 -53.5 . . 31 LEU . . . . . . . . . . . . . parsed_2n1n 1 52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.3 158.0 . . 31 LEU . . . . . . . . . . . . . parsed_2n1n 1 53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 32 ALA . . . . . . . . . . . . . parsed_2n1n 1 54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.5 168.2 . . 32 ALA . . . . . . . . . . . . . parsed_2n1n 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 "REMARK error margins are set to conservative default values of double the standard deviation" 1 1 1 96 parsed_2n1n 1 2 "observed in TALOS-N capped at a minimum of +/-20 degree." 2 1 2 66 parsed_2n1n 1 3 "Phi/Psi Angles From 'Strong' Predictions" 4 1 4 43 parsed_2n1n 1 4 "Phi/Psi Angles From 'Generous' Predictions" 46 1 46 45 parsed_2n1n 1 stop_ save_
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