NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
641583 | 6qtf | 34363 | cing | 2-parsed | STAR | entry | full | 23 |
data_6qtf_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6qtf _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_6qtf 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6qtf _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 6qtf "Master copy" parsed_6qtf stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6qtf _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 6qtf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6qtf 1 1 6qtf.mr . . XPLOR/CNS 2 distance NOE simple 18 parsed_6qtf 1 1 6qtf.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_6qtf 1 1 6qtf.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6qtf 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_6qtf _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 ANTIBIOTIC 25-FEB-19 6QTF *TITLE SOLUTION NMR OF SYNTHETIC ANALOGUES OF NISIN AND MUTACIN RING A AND *TITLE 2 RING B - MUTACIN I RING B, MAJOR CONFORMER *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DCY-LEU-GLY-ALA-THR; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; *SOURCE 4 ORGANISM_TAXID: 1358 *KEYWDS PEPTIDE ANTIBIOTIC, LANTIBIOTIC, ANTIMICROBIAL, BACTERIOCIN, *KEYWDS 2 THIOESTER, ANTIBIOTIC *EXPDTA SOLUTION NMR *NUMMDL 15 *AUTHOR R.DICKMAN,S.A.MITCHELL,A.FIGUEIREDO,D.F.HANSEN,A.B.TABOR *REVDAT 1 11-SEP-19 6QTF 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6qtf _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _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_6qtf 1 2 1 . . . parsed_6qtf 1 3 1 . . . parsed_6qtf 1 4 1 . . . parsed_6qtf 1 5 1 . . . parsed_6qtf 1 6 1 . . . parsed_6qtf 1 7 1 . . . parsed_6qtf 1 8 1 . . . parsed_6qtf 1 9 1 . . . parsed_6qtf 1 10 1 . . . parsed_6qtf 1 11 1 . . . parsed_6qtf 1 12 1 . . . parsed_6qtf 1 13 1 . . . parsed_6qtf 1 14 1 . . . parsed_6qtf 1 15 1 . . . parsed_6qtf 1 16 1 . . . parsed_6qtf 1 17 1 . . . parsed_6qtf 1 18 1 . . . parsed_6qtf 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 . . . . . . . . . 2 . HA parsed_6qtf 1 1 1 2 . . . . . . . . . 3 . HN parsed_6qtf 1 2 1 1 . . . . . . . . . 4 . HN parsed_6qtf 1 2 1 2 . . . . . . . . . 3 . HN parsed_6qtf 1 3 1 1 . . . . . . . . . 5 . HN parsed_6qtf 1 3 1 2 . . . . . . . . . 4 . HN parsed_6qtf 1 4 1 1 . . . . . . . . . 4 . HB1 parsed_6qtf 1 4 1 2 . . . . . . . . . 5 . HN parsed_6qtf 1 5 1 1 . . . . . . . . . 5 . HN parsed_6qtf 1 5 1 2 . . . . . . . . . 4 . HB2 parsed_6qtf 1 6 1 1 . . . . . . . . . 4 . HA parsed_6qtf 1 6 1 2 . . . . . . . . . 5 . HN parsed_6qtf 1 7 1 1 . . . . . . . . . 2 . HA parsed_6qtf 1 7 1 2 . . . . . . . . . 3 . HA1 parsed_6qtf 1 8 1 1 . . . . . . . . . 3 . HA2 parsed_6qtf 1 8 1 2 . . . . . . . . . 4 . HN parsed_6qtf 1 9 1 1 . . . . . . . . . 4 . HN parsed_6qtf 1 9 1 2 . . . . . . . . . 3 . HA1 parsed_6qtf 1 10 1 1 . . . . . . . . . 5 . HN parsed_6qtf 1 10 1 2 . . . . . . . . . 4 . HN parsed_6qtf 1 11 1 1 . . . . . . . . . 3 . HN parsed_6qtf 1 11 1 2 . . . . . . . . . 2 . HB# parsed_6qtf 1 12 1 1 . . . . . . . . . 1 . HT# parsed_6qtf 1 12 1 2 . . . . . . . . . 3 . HN parsed_6qtf 1 13 1 1 . . . . . . . . . 2 . HA parsed_6qtf 1 13 1 2 . . . . . . . . . 4 . HN parsed_6qtf 1 14 1 1 . . . . . . . . . 5 . HN parsed_6qtf 1 14 1 2 . . . . . . . . . 2 . HN parsed_6qtf 1 15 1 1 . . . . . . . . . 1 . HA parsed_6qtf 1 15 1 2 . . . . . . . . . 5 . HA parsed_6qtf 1 16 1 1 . . . . . . . . . 1 . HB2 parsed_6qtf 1 16 1 2 . . . . . . . . . 4 . HB2 parsed_6qtf 1 17 1 1 . . . . . . . . . 4 . HB1 parsed_6qtf 1 17 1 2 . . . . . . . . . 1 . HB2 parsed_6qtf 1 18 1 1 . . . . . . . . . 4 . HA parsed_6qtf 1 18 1 2 . . . . . . . . . 1 . HA parsed_6qtf 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 . . . . . 3.3 2.6 4.0 parsed_6qtf 1 2 1 . . . . . 3.2 2.6 3.8 parsed_6qtf 1 3 1 . . . . . 3.6 2.9 4.3 parsed_6qtf 1 4 1 . . . . . 3.5 2.8 4.2 parsed_6qtf 1 5 1 . . . . . 4.2 3.4 5.0 parsed_6qtf 1 6 1 . . . . . 2.9 2.3 3.5 parsed_6qtf 1 7 1 . . . . . 4.4 3.5 5.3 parsed_6qtf 1 8 1 . . . . . 4.1 3.3 4.9 parsed_6qtf 1 9 1 . . . . . 4.3 3.4 5.2 parsed_6qtf 1 10 1 . . . . . 3.7 3.0 4.4 parsed_6qtf 1 11 1 . . . . . 4.3 3.4 5.2 parsed_6qtf 1 12 1 . . . . . 4.3 3.4 5.2 parsed_6qtf 1 13 1 . . . . . 4.3 3.4 5.2 parsed_6qtf 1 14 1 . . . . . 3.8 3.0 4.6 parsed_6qtf 1 15 1 . . . . . 3.5 2.8 4.2 parsed_6qtf 1 16 1 . . . . . 3.7 3.0 4.4 parsed_6qtf 1 17 1 . . . . . 4.2 3.4 5.0 parsed_6qtf 1 18 1 . . . . . 4.3 3.4 5.2 parsed_6qtf 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 ; echo=false wrnlev=0 ; 2 1 4 16 parsed_6qtf 1 2 ; Interresidue i-i+1 ; 5 1 6 7 parsed_6qtf 1 3 i-i+2 18 1 18 7 parsed_6qtf 1 4 i-i+3/4 21 1 21 9 parsed_6qtf 1 5 "across Lan" 24 1 24 12 parsed_6qtf 1 6 ; echo=true wrnlev=5 ; 28 1 30 16 parsed_6qtf 1 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "# Restraints file 1: noe_nointra.tbl" 1 1 1 36 parsed_6qtf 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6qtf _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 38.2 118.2 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6qtf 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.2 -42.2 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6qtf 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.7 -55.7 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6qtf 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.6 -61.6 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6qtf 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 49.8 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6qtf 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 ; phi from 3J coupling ; 3 1 4 18 parsed_6qtf 1 2 ; psi predicted by talos ; 13 1 14 20 parsed_6qtf 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 file 2: dihe_final.tbl" 1 1 1 35 parsed_6qtf 1 stop_ save_
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