NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
53514 | 2rn4 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 36 |
data_2rn4_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2rn4 _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_2rn4 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2rn4 _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 2rn4 "Master copy" parsed_2rn4 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2rn4 _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 2rn4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rn4 1 1 2rn4.mr . . XPLOR/CNS 2 distance NOE simple 1549 parsed_2rn4 1 1 2rn4.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 36 parsed_2rn4 1 1 2rn4.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2rn4 1 1 2rn4.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2rn4 1 1 2rn4.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rn4 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2rn4 _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_2rn4 1 2 1 . . . parsed_2rn4 1 3 1 . . . parsed_2rn4 1 4 1 . . . parsed_2rn4 1 5 1 . . . parsed_2rn4 1 6 1 . . . parsed_2rn4 1 7 1 . . . parsed_2rn4 1 8 1 . . . parsed_2rn4 1 9 1 . . . parsed_2rn4 1 10 1 . . . parsed_2rn4 1 11 1 . . . parsed_2rn4 1 12 1 . . . parsed_2rn4 1 13 1 . . . parsed_2rn4 1 14 1 . . . parsed_2rn4 1 15 1 . . . parsed_2rn4 1 16 1 . . . parsed_2rn4 1 17 1 . . . parsed_2rn4 1 18 1 . . . parsed_2rn4 1 19 1 . . . parsed_2rn4 1 20 1 . . . parsed_2rn4 1 21 1 . . . parsed_2rn4 1 22 1 . . . parsed_2rn4 1 23 1 . . . parsed_2rn4 1 24 1 . . . parsed_2rn4 1 25 1 . . . parsed_2rn4 1 26 1 . . . parsed_2rn4 1 27 1 . . . parsed_2rn4 1 28 1 . . . parsed_2rn4 1 29 1 . . . parsed_2rn4 1 30 1 . . . parsed_2rn4 1 31 1 . . . parsed_2rn4 1 32 1 . . . parsed_2rn4 1 33 1 . . . parsed_2rn4 1 34 1 . . . parsed_2rn4 1 35 1 . . . parsed_2rn4 1 36 1 . . . parsed_2rn4 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 . . . . . . . . . 15 . N parsed_2rn4 1 1 1 2 . . . . . . . . . 28 . O parsed_2rn4 1 2 1 1 . . . . . . . . . 15 . HN parsed_2rn4 1 2 1 2 . . . . . . . . . 28 . O parsed_2rn4 1 3 1 1 . . . . . . . . . 16 . N parsed_2rn4 1 3 1 2 . . . . . . . . . 102 . O parsed_2rn4 1 4 1 1 . . . . . . . . . 16 . HN parsed_2rn4 1 4 1 2 . . . . . . . . . 102 . O parsed_2rn4 1 5 1 1 . . . . . . . . . 17 . N parsed_2rn4 1 5 1 2 . . . . . . . . . 26 . O parsed_2rn4 1 6 1 1 . . . . . . . . . 17 . HN parsed_2rn4 1 6 1 2 . . . . . . . . . 26 . O parsed_2rn4 1 7 1 1 . . . . . . . . . 28 . N parsed_2rn4 1 7 1 2 . . . . . . . . . 15 . O parsed_2rn4 1 8 1 1 . . . . . . . . . 28 . HN parsed_2rn4 1 8 1 2 . . . . . . . . . 15 . O parsed_2rn4 1 9 1 1 . . . . . . . . . 31 . N parsed_2rn4 1 9 1 2 . . . . . . . . . 42 . O parsed_2rn4 1 10 1 1 . . . . . . . . . 31 . HN parsed_2rn4 1 10 1 2 . . . . . . . . . 42 . O parsed_2rn4 1 11 1 1 . . . . . . . . . 41 . N parsed_2rn4 1 11 1 2 . . . . . . . . . 61 . O parsed_2rn4 1 12 1 1 . . . . . . . . . 41 . HN parsed_2rn4 1 12 1 2 . . . . . . . . . 61 . O parsed_2rn4 1 13 1 1 . . . . . . . . . 43 . N parsed_2rn4 1 13 1 2 . . . . . . . . . 59 . O parsed_2rn4 1 14 1 1 . . . . . . . . . 43 . HN parsed_2rn4 1 14 1 2 . . . . . . . . . 59 . O parsed_2rn4 1 15 1 1 . . . . . . . . . 44 . N parsed_2rn4 1 15 1 2 . . . . . . . . . 29 . O parsed_2rn4 1 16 1 1 . . . . . . . . . 44 . HN parsed_2rn4 1 16 1 2 . . . . . . . . . 29 . O parsed_2rn4 1 17 1 1 . . . . . . . . . 61 . N parsed_2rn4 1 17 1 2 . . . . . . . . . 41 . O parsed_2rn4 1 18 1 1 . . . . . . . . . 61 . HN parsed_2rn4 1 18 1 2 . . . . . . . . . 41 . O parsed_2rn4 1 19 1 1 . . . . . . . . . 62 . N parsed_2rn4 1 19 1 2 . . . . . . . . . 69 . O parsed_2rn4 1 20 1 1 . . . . . . . . . 62 . HN parsed_2rn4 1 20 1 2 . . . . . . . . . 69 . O parsed_2rn4 1 21 1 1 . . . . . . . . . 68 . N parsed_2rn4 1 21 1 2 . . . . . . . . . 81 . O parsed_2rn4 1 22 1 1 . . . . . . . . . 68 . HN parsed_2rn4 1 22 1 2 . . . . . . . . . 81 . O parsed_2rn4 1 23 1 1 . . . . . . . . . 69 . N parsed_2rn4 1 23 1 2 . . . . . . . . . 62 . O parsed_2rn4 1 24 1 1 . . . . . . . . . 69 . HN parsed_2rn4 1 24 1 2 . . . . . . . . . 62 . O parsed_2rn4 1 25 1 1 . . . . . . . . . 70 . N parsed_2rn4 1 25 1 2 . . . . . . . . . 79 . O parsed_2rn4 1 26 1 1 . . . . . . . . . 70 . HN parsed_2rn4 1 26 1 2 . . . . . . . . . 79 . O parsed_2rn4 1 27 1 1 . . . . . . . . . 71 . N parsed_2rn4 1 27 1 2 . . . . . . . . . 60 . O parsed_2rn4 1 28 1 1 . . . . . . . . . 71 . HN parsed_2rn4 1 28 1 2 . . . . . . . . . 60 . O parsed_2rn4 1 29 1 1 . . . . . . . . . 81 . N parsed_2rn4 1 29 1 2 . . . . . . . . . 68 . O parsed_2rn4 1 30 1 1 . . . . . . . . . 81 . HN parsed_2rn4 1 30 1 2 . . . . . . . . . 68 . O parsed_2rn4 1 31 1 1 . . . . . . . . . 100 . N parsed_2rn4 1 31 1 2 . . . . . . . . . 18 . O parsed_2rn4 1 32 1 1 . . . . . . . . . 100 . HN parsed_2rn4 1 32 1 2 . . . . . . . . . 18 . O parsed_2rn4 1 33 1 1 . . . . . . . . . 101 . N parsed_2rn4 1 33 1 2 . . . . . . . . . 89 . O parsed_2rn4 1 34 1 1 . . . . . . . . . 101 . HN parsed_2rn4 1 34 1 2 . . . . . . . . . 89 . O parsed_2rn4 1 35 1 1 . . . . . . . . . 102 . N parsed_2rn4 1 35 1 2 . . . . . . . . . 16 . O parsed_2rn4 1 36 1 1 . . . . . . . . . 102 . HN parsed_2rn4 1 36 1 2 . . . . . . . . . 16 . O parsed_2rn4 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 2.5 3.5 parsed_2rn4 1 2 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 3 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 4 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 5 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 6 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 7 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 8 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 9 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 10 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 11 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 12 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 13 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 14 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 15 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 16 1 . . . . . 2.6 1.8 2.8 parsed_2rn4 1 17 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 18 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 19 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 20 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 21 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 22 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 23 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 24 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 25 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 26 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 27 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 28 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 29 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 30 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 31 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 32 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 33 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 34 1 . . . . . 2.3 1.5 2.5 parsed_2rn4 1 35 1 . . . . . 3.3 2.5 3.5 parsed_2rn4 1 36 1 . . . . . 2.3 1.5 2.8 parsed_2rn4 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 "hydrogen bonds" 1 1 1 16 parsed_2rn4 1 2 ; assign (resid 15 and name NE1 )(resid 11 and name O ) 3.3 0.8 0.7 assign (resid 15 and name HE1 )(resid 11 and name O ) 2.3 0.8 0.7 ; 4 1 5 77 parsed_2rn4 1 3 ; assign (resid 30 and name N )(resid 13 and name O ) 3.3 0.8 0.5 assign (resid 30 and name HN )(resid 13 and name O ) 2.3 0.8 0.5 ; 12 1 13 77 parsed_2rn4 1 4 ; assign (resid 61 and name NE1 )(resid 31 and name O ) 3.3 0.8 0.2 assign (resid 61 and name HE1 )(resid 31 and name O ) 2.3 0.8 0.2 ; 24 1 25 77 parsed_2rn4 1 5 ; echo=true wrnlev=5 ; 44 1 45 16 parsed_2rn4 1 stop_ save_
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