NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
636117 | 6ckf | 30420 | cing | 2-parsed | STAR | entry | full | 15 |
data_6ckf_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6ckf _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_6ckf 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6ckf _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 6ckf "Master copy" parsed_6ckf stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6ckf _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 6ckf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ckf 1 1 6ckf.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 15 parsed_6ckf 1 1 6ckf.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ckf 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_6ckf _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 28-FEB-18 6CKF *TITLE STRUCTURE OF A NEW SHKT PEPTIDE FROM THE SEA ANEMONE OULACTIS SP: *TITLE 2 OSPTX2A-P2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: OSPTX2A-P2; *COMPND 3 CHAIN: A *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: OULACTIS; *SOURCE 3 ORGANISM_TAXID: 308031 *KEYWDS OSPTX2A; CYSTEINE-RICH PEPTIDE; NMR SPECTROSCOPY; STRUCTURE; ISOMERS; *KEYWDS 2 KV CHANNEL, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR P.SUNANDA,B.KRISHNARJUNA,R.S.NORTON *REVDAT 1 06-MAR-19 6CKF 0 ; save_ save_DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6ckf _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -90 . . 32 THR . . . . . . . . . . . . . parsed_6ckf 1 2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -90 . . 11 CYSS . . . . . . . . . . . . . parsed_6ckf 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -90 . . 26 LYS . . . . . . . . . . . . . parsed_6ckf 1 4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -160 . . 29 CYSS . . . . . . . . . . . . . parsed_6ckf 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -160 . . 5 VAL . . . . . . . . . . . . . parsed_6ckf 1 6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -90 . . 16 SER . . . . . . . . . . . . . parsed_6ckf 1 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -160 . . 31 ILE . . . . . . . . . . . . . parsed_6ckf 1 8 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 -120 . . 28 ASN . . . . . . . . . . . . . parsed_6ckf 1 9 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 -120 . . 19 ASN . . . . . . . . . . . . . parsed_6ckf 1 10 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 -120 . . 33 CYSS . . . . . . . . . . . . . parsed_6ckf 1 11 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 -120 . . 20 CYSS . . . . . . . . . . . . . parsed_6ckf 1 12 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 -120 . . 4 ASP . . . . . . . . . . . . . parsed_6ckf 1 13 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 -120 . . 25 TYR . . . . . . . . . . . . . parsed_6ckf 1 14 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 -120 . . 29 CYSS . . . . . . . . . . . . . parsed_6ckf 1 15 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 -120 . . 36 CYSS . . . . . . . . . . . . . parsed_6ckf 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 1: osptx2ap2.aco" 1 1 1 34 parsed_6ckf 1 2 "From 3Jna" 2 1 2 11 parsed_6ckf 1 3 "20 CYSS PHI -40 -90" 5 2 5 27 parsed_6ckf 1 4 "12 ARG PHI -40 -90" 7 2 7 27 parsed_6ckf 1 5 "From Talos+" 16 1 16 13 parsed_6ckf 1 6 "2 CYSS PHI -156.6 -88.7" 17 4 17 35 parsed_6ckf 1 7 "2 CYSS PSI 133.1 173.1" 18 4 18 35 parsed_6ckf 1 8 "4 SER PHI -124.0 -60.1" 19 4 19 34 parsed_6ckf 1 9 "4 SER PSI -58.5 21.5" 20 4 20 34 parsed_6ckf 1 10 "6 PRO PHI -78.9 -37.1" 21 4 21 34 parsed_6ckf 1 11 "6 PRO PSI -45.4 -5.4" 22 4 22 34 parsed_6ckf 1 12 "7 ARG+ PHI -119.1 -62.4" 23 4 23 35 parsed_6ckf 1 13 "7 ARG+ PSI -39.8 28.7" 24 4 24 35 parsed_6ckf 1 14 "8 CYSS PHI -147.8 -84.5" 25 4 25 35 parsed_6ckf 1 15 "8 CYSS PSI 95.5 209.2" 26 4 26 35 parsed_6ckf 1 16 "9 ARG+ PHI -97.8 -57.8" 27 4 27 35 parsed_6ckf 1 17 "9 ARG+ PSI 123.0 163.0" 28 4 28 35 parsed_6ckf 1 18 "11 ARG+ PHI -137.7 -43.6" 29 3 29 35 parsed_6ckf 1 19 "11 ARG+ PSI 111.6 168.3" 30 3 30 35 parsed_6ckf 1 20 CHI1 33 1 33 6 parsed_6ckf 1 21 "6 PHE CHI1 0 -120" 39 5 39 31 parsed_6ckf 1 22 "12 ASP CHI1 120 240" 48 1 48 33 parsed_6ckf 1 23 PREDATOR 50 1 50 9 parsed_6ckf 1 stop_ save_
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