NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
538902 | 2ley | 17733 | cing | 2-parsed | STAR | dihedral angle | 31 |
data_2ley_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2ley _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_2ley 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2ley _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 2ley "Master copy" parsed_2ley stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2ley _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 2ley.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ley 1 1 2ley.mr . . XPLOR/CNS 2 distance NOE simple 142 parsed_2ley 1 1 2ley.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_2ley 1 1 2ley.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2ley 1 1 2ley.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ley 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2ley _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2ley 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2ley 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2ley 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2ley 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2ley 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2ley 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2ley 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2ley 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2ley 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2ley 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2ley 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2ley 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2ley 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2ley 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2ley 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2ley 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 90.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2ley 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2ley 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2ley 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2ley 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2ley 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2ley 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2ley 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . N . 4 . CA . 4 . CB . 4 . SG parsed_2ley 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_2ley 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_2ley 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . N . 11 . CA . 11 . CB . 11 . SG parsed_2ley 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_2ley 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_2ley 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . N . 28 . CA . 28 . CB . 28 . SG parsed_2ley 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . N . 29 . CA . 29 . CB . 29 . SG parsed_2ley 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 angles ! LEU 2 assign (resid 1 and name C ) (resid 2 and name N ) (resid 2 and name CA) (resid 2 and name C ) 1 -100.0 80.0 2 ! LEU 3 ; 1 1 6 12 parsed_2ley 1 2 "! CYS 4" 9 2 9 13 parsed_2ley 1 3 "! TYR 5" 12 2 12 12 parsed_2ley 1 4 "! CYS 6" 15 2 15 15 parsed_2ley 1 5 ; ! ARG 7 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA) (resid 7 and name C ) 1 -120.0 30.0 2 ! LYS 8 ; 18 2 21 15 parsed_2ley 1 6 "! HIS 10" 24 2 24 15 parsed_2ley 1 7 "! CYS 11" 27 2 27 15 parsed_2ley 1 8 "! LYS 12" 30 2 30 15 parsed_2ley 1 9 "! ARG 13" 33 2 33 15 parsed_2ley 1 10 "! GLU 15" 36 2 36 13 parsed_2ley 1 11 "! ARG 16" 39 2 39 14 parsed_2ley 1 12 "! VAL 17" 42 2 42 14 parsed_2ley 1 13 "! ARG 18" 45 2 45 14 parsed_2ley 1 14 "! 20 THR" 48 2 48 14 parsed_2ley 1 15 "! CYS 21" 51 2 51 14 parsed_2ley 1 16 "! ILE 23" 54 2 54 14 parsed_2ley 1 17 "! ARG 24" 57 2 57 14 parsed_2ley 1 18 "! PHE 25" 60 2 60 14 parsed_2ley 1 19 "! LEU 26" 63 2 63 16 parsed_2ley 1 20 "! TYR 27" 66 2 66 16 parsed_2ley 1 21 "! CYS 28" 69 2 69 16 parsed_2ley 1 22 "! CYS 29" 72 2 72 16 parsed_2ley 1 23 "! ARG 31" 75 2 75 16 parsed_2ley 1 24 ; chi Angles ! Cys 4 ; 79 1 81 15 parsed_2ley 1 25 "! Tyr 5" 84 2 84 14 parsed_2ley 1 26 ; ! Cys 6 assign (resid 6 and name N ) (resid 6 and name CA) (resid 6 and name CB) (resid 6 and name SG) 1 -180.0 30.0 2 ! His 10 ; 87 3 90 17 parsed_2ley 1 27 "! Cys 11" 93 3 93 17 parsed_2ley 1 28 ; ! Arg 13 assign (resid 13 and name N ) (resid 13 and name CA) (resid 13 and name CB) (resid 13 and name CG) 1 60.0 30.0 2 ! Asp 15 assign (resid 15 and name N ) (resid 15 and name CA) (resid 15 and name CB) (resid 15 and name CG) 1 -180.0 30.0 2 ! Arg 18 assign (resid 18 and name N ) (resid 18 and name CA) (resid 18 and name CB) (resid 18 and name CG) 1 -60.0 30.0 2 ! Cys 21 assign (resid 21 and name N ) (resid 21 and name CA) (resid 21 and name CB) (resid 21 and name SG) 1 60.0 30.0 2 ! Tyr 25 ; 96 2 108 15 parsed_2ley 1 29 ; ! Leu 26 assign (resid 26 and name N ) (resid 26 and name CA) (resid 26 and name CB) (resid 26 and name CG) 1 -60.0 30.0 2 ! Tyr 27 ; 111 2 114 17 parsed_2ley 1 30 "! Cys 28" 117 2 117 16 parsed_2ley 1 31 "! Cys 29" 120 2 120 16 parsed_2ley 1 stop_ save_
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