NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
32917 | 1hej | 4900 | cing | recoord | 2-parsed | STAR | dihedral angle | 40 |
data_1hej_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1hej _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_1hej 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1hej _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 1hej "Master copy" parsed_1hej stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1hej _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 1hej.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1hej 1 1 1hej.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1hej 1 1 1hej.mr . . XPLOR/CNS 3 distance NOE simple 813 parsed_1hej 1 1 1hej.mr . . XPLOR/CNS 4 distance NOE ambi 70 parsed_1hej 1 1 1hej.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1hej 1 1 1hej.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 52 parsed_1hej 1 1 1hej.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1hej 1 1 1hej.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 54 parsed_1hej 1 1 1hej.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1hej 1 1 1hej.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 40 parsed_1hej 1 1 1hej.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1hej 1 1 1hej.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1hej 1 stop_ save_ save_CNS/XPLOR_dihedral_10 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1hej _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 10 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 565 . N . 565 . CA . 565 . CB . 565 . CG1 parsed_1hej 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 566 . N . 566 . CA . 566 . CB . 566 . CG parsed_1hej 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 568 . N . 568 . CA . 568 . CB . 568 . CG parsed_1hej 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 569 . N . 569 . CA . 569 . CB . 569 . CG parsed_1hej 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 570 . N . 570 . CA . 570 . CB . 570 . CG parsed_1hej 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 572 . N . 572 . CA . 572 . CB . 572 . CG parsed_1hej 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 573 . N . 573 . CA . 573 . CB . 573 . CG parsed_1hej 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 575 . N . 575 . CA . 575 . CB . 575 . CG parsed_1hej 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 576 . N . 576 . CA . 576 . CB . 576 . CG1 parsed_1hej 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 577 . N . 577 . CA . 577 . CB . 577 . OG1 parsed_1hej 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 578 . N . 578 . CA . 578 . CB . 578 . CG parsed_1hej 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 579 . N . 579 . CA . 579 . CB . 579 . OG parsed_1hej 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 580 . N . 580 . CA . 580 . CB . 580 . CG1 parsed_1hej 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 586 . N . 586 . CA . 586 . CB . 586 . CG parsed_1hej 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 590 . N . 590 . CA . 590 . CB . 590 . CG parsed_1hej 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 592 . N . 592 . CA . 592 . CB . 592 . CG parsed_1hej 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 593 . N . 593 . CA . 593 . CB . 593 . CG parsed_1hej 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 596 . N . 596 . CA . 596 . CB . 596 . CG parsed_1hej 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 597 . N . 597 . CA . 597 . CB . 597 . OG parsed_1hej 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 598 . N . 598 . CA . 598 . CB . 598 . CG1 parsed_1hej 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 599 . N . 599 . CA . 599 . CB . 599 . CG parsed_1hej 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 602 . N . 602 . CA . 602 . CB . 602 . CG parsed_1hej 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 607 . N . 607 . CA . 607 . CB . 607 . OG1 parsed_1hej 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 609 . N . 609 . CA . 609 . CB . 609 . OG parsed_1hej 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 612 . N . 612 . CA . 612 . CB . 612 . OG1 parsed_1hej 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 613 . N . 613 . CA . 613 . CB . 613 . CG1 parsed_1hej 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 614 . N . 614 . CA . 614 . CB . 614 . OG1 parsed_1hej 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 618 . N . 618 . CA . 618 . CB . 618 . CG parsed_1hej 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 622 . N . 622 . CA . 622 . CB . 622 . CG parsed_1hej 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 623 . N . 623 . CA . 623 . CB . 623 . OG parsed_1hej 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 624 . N . 624 . CA . 624 . CB . 624 . CG parsed_1hej 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 210.0 . . 626 . N . 626 . CA . 626 . CB . 626 . CG1 parsed_1hej 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 627 . N . 627 . CA . 627 . CB . 627 . OG1 parsed_1hej 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 628 . N . 628 . CA . 628 . CB . 628 . CG parsed_1hej 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 629 . N . 629 . CA . 629 . CB . 629 . CG parsed_1hej 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 631 . N . 631 . CA . 631 . CB . 631 . CG parsed_1hej 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 633 . N . 633 . CA . 633 . CB . 633 . OG parsed_1hej 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 640 . N . 640 . CA . 640 . CB . 640 . OG1 parsed_1hej 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 641 . N . 641 . CA . 641 . CB . 641 . SG parsed_1hej 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 643 . N . 643 . CA . 643 . CB . 643 . OG1 parsed_1hej 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 VAL 2 80 2 84 parsed_1hej 1 2 VAL 18 80 18 84 parsed_1hej 1 3 THR 20 80 20 84 parsed_1hej 1 4 ; VAL assign (resid 583 and name N) (resid 583 and name CA) (resid 583 and name CB) (resid 583 and name OG) 1.0 180.0 30.0 2 !SER ; 26 80 28 84 parsed_1hej 1 5 ; LEU Note that resid 592 looks more like +60 in ECOSY in spite of all structures being -60. Suzy 1/9/00 ; 32 79 34 38 parsed_1hej 1 6 LEU 36 79 36 83 parsed_1hej 1 7 SER 42 77 42 81 parsed_1hej 1 8 VAL 44 80 44 84 parsed_1hej 1 9 THR 50 80 50 84 parsed_1hej 1 10 SER 52 77 52 81 parsed_1hej 1 11 THR 54 80 54 84 parsed_1hej 1 12 VAL 56 80 56 84 parsed_1hej 1 13 THR 58 80 58 84 parsed_1hej 1 14 VAL 68 80 68 84 parsed_1hej 1 15 THR 70 80 70 84 parsed_1hej 1 16 ; assign (resid 636 and name N) (resid 636 and name CA) (resid 636 and name CB) (resid 636 and name OG1) 1.0 60.0 30.0 2 !THR ; 79 1 80 84 parsed_1hej 1 17 THR 82 80 82 84 parsed_1hej 1 18 CYS 84 79 84 83 parsed_1hej 1 19 THR 86 79 86 83 parsed_1hej 1 stop_ save_
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