NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
647468 | 6jwd | cing | 2-parsed | STAR | distance | NOE | ambi | 23 |
data_6jwd_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6jwd _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_6jwd 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6jwd _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 6jwd "Master copy" parsed_6jwd stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6jwd _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 6jwd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6jwd 1 1 6jwd.mr . . XPLOR/CNS 2 distance NOE simple 290 parsed_6jwd 1 1 6jwd.mr . . XPLOR/CNS 3 distance NOE ambi 23 parsed_6jwd 1 1 6jwd.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6jwd 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6jwd _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _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_6jwd 1 2 1 . . . parsed_6jwd 1 3 1 . . . parsed_6jwd 1 4 1 . . . parsed_6jwd 1 5 1 . . . parsed_6jwd 1 6 1 . . . parsed_6jwd 1 7 1 . . . parsed_6jwd 1 8 1 . . . parsed_6jwd 1 9 1 . . . parsed_6jwd 1 10 1 . . . parsed_6jwd 1 11 1 . . . parsed_6jwd 1 12 1 . . . parsed_6jwd 1 13 1 . . . parsed_6jwd 1 14 1 . . . parsed_6jwd 1 15 1 . . . parsed_6jwd 1 16 1 . . . parsed_6jwd 1 17 1 . . . parsed_6jwd 1 18 1 . . . parsed_6jwd 1 19 1 . . . parsed_6jwd 1 20 1 . . . parsed_6jwd 1 21 1 . . . parsed_6jwd 1 22 1 . . . parsed_6jwd 1 23 1 . . . parsed_6jwd 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 . . . . . . . . BER 1 . H161 parsed_6jwd 1 1 1 2 . . . . . . . . BER 1 . H201 parsed_6jwd 1 1 1 2 . . . . . . . . BER 1 . H202 parsed_6jwd 1 1 1 2 . . . . . . . . BER 1 . H203 parsed_6jwd 1 2 1 1 . . . . . . . . BER 1 . H91 parsed_6jwd 1 2 1 2 . . . . . . . . BER 1 . H101 parsed_6jwd 1 2 1 2 . . . . . . . . BER 1 . H102 parsed_6jwd 1 3 1 1 . . . . . . . . BER 1 . H71 parsed_6jwd 1 3 1 1 . . . . . . . . BER 1 . H72 parsed_6jwd 1 3 1 2 . . . . . . . . BER 1 . H101 parsed_6jwd 1 3 1 2 . . . . . . . . BER 1 . H102 parsed_6jwd 1 4 1 1 . . . . . . . . BER 1 . H71 parsed_6jwd 1 4 1 1 . . . . . . . . BER 1 . H72 parsed_6jwd 1 4 1 2 . . . . . . . . BER 1 . H101 parsed_6jwd 1 4 1 2 . . . . . . . . BER 1 . H102 parsed_6jwd 1 5 1 1 . . . . . . . . BER 1 . H191 parsed_6jwd 1 5 1 1 . . . . . . . . BER 1 . H192 parsed_6jwd 1 5 1 1 . . . . . . . . BER 1 . H193 parsed_6jwd 1 5 1 2 . . . . . . . . BER 1 . H201 parsed_6jwd 1 5 1 2 . . . . . . . . BER 1 . H202 parsed_6jwd 1 5 1 2 . . . . . . . . BER 1 . H203 parsed_6jwd 1 6 1 1 . . . . . . . . BER 1 . H101 parsed_6jwd 1 6 1 2 . . . . . . . . BER 1 . H102 parsed_6jwd 1 7 1 1 . . . . . . . . RET 3 . H2'' parsed_6jwd 1 7 1 2 . . . . . . . . BER 1 . H51 parsed_6jwd 1 8 1 1 . . . . . . . . RET 3 . H2'' parsed_6jwd 1 8 1 2 . . . . . . . . BER 1 . H171 parsed_6jwd 1 8 1 2 . . . . . . . . BER 1 . H172 parsed_6jwd 1 9 1 1 . . . . . . . . RET 9 . H8 parsed_6jwd 1 9 1 2 . . . . . . . . BER 1 . H51 parsed_6jwd 1 10 1 1 . . . . . . . . RET 13 . H2' parsed_6jwd 1 10 1 2 . . . . . . . . BER 1 . H191 parsed_6jwd 1 10 1 2 . . . . . . . . BER 1 . H192 parsed_6jwd 1 10 1 2 . . . . . . . . BER 1 . H193 parsed_6jwd 1 11 1 1 . . . . . . . . RET 13 . H2'' parsed_6jwd 1 11 1 2 . . . . . . . . BER 1 . H191 parsed_6jwd 1 11 1 2 . . . . . . . . BER 1 . H192 parsed_6jwd 1 11 1 2 . . . . . . . . BER 1 . H193 parsed_6jwd 1 12 1 1 . . . . . . . . RET 13 . H1 parsed_6jwd 1 12 1 2 . . . . . . . . BER 1 . H71 parsed_6jwd 1 12 1 2 . . . . . . . . BER 1 . H72 parsed_6jwd 1 13 1 1 . . . . . . . . RET 13 . H8 parsed_6jwd 1 13 1 2 . . . . . . . . BER 1 . H191 parsed_6jwd 1 13 1 2 . . . . . . . . BER 1 . H192 parsed_6jwd 1 13 1 2 . . . . . . . . BER 1 . H193 parsed_6jwd 1 14 1 1 . . . . . . . . RET 14 . H1' parsed_6jwd 1 14 1 2 . . . . . . . . BER 1 . H201 parsed_6jwd 1 14 1 2 . . . . . . . . BER 1 . H202 parsed_6jwd 1 14 1 2 . . . . . . . . BER 1 . H203 parsed_6jwd 1 15 1 1 . . . . . . . . RET 14 . H21 parsed_6jwd 1 15 1 2 . . . . . . . . BER 1 . H101 parsed_6jwd 1 15 1 2 . . . . . . . . BER 1 . H102 parsed_6jwd 1 16 1 1 . . . . . . . . RET 16 . H1' parsed_6jwd 1 16 1 2 . . . . . . . . BER 1 . H161 parsed_6jwd 1 17 1 1 . . . . . . . . RET 16 . H2' parsed_6jwd 1 17 1 2 . . . . . . . . BER 1 . H201 parsed_6jwd 1 17 1 2 . . . . . . . . BER 1 . H202 parsed_6jwd 1 17 1 2 . . . . . . . . BER 1 . H203 parsed_6jwd 1 18 1 1 . . . . . . . . RET 16 . H2'' parsed_6jwd 1 18 1 2 . . . . . . . . BER 1 . H71 parsed_6jwd 1 18 1 2 . . . . . . . . BER 1 . H72 parsed_6jwd 1 19 1 1 . . . . . . . . RET 19 . H1 parsed_6jwd 1 19 1 2 . . . . . . . . BER 1 . H71 parsed_6jwd 1 19 1 2 . . . . . . . . BER 1 . H72 parsed_6jwd 1 20 1 1 . . . . . . . . RET 20 . H1' parsed_6jwd 1 20 1 2 . . . . . . . . BER 1 . H31 parsed_6jwd 1 21 1 1 . . . . . . . . RET 20 . H2' parsed_6jwd 1 21 1 2 . . . . . . . . BER 1 . H31 parsed_6jwd 1 22 1 1 . . . . . . . . RET 16 . H2' parsed_6jwd 1 22 1 2 . . . . . . . . BER 1 . H191 parsed_6jwd 1 22 1 2 . . . . . . . . BER 1 . H192 parsed_6jwd 1 22 1 2 . . . . . . . . BER 1 . H193 parsed_6jwd 1 23 1 1 . . . . . . . . RET 4 . H1' parsed_6jwd 1 23 1 2 . . . . . . . . BER 1 . H171 parsed_6jwd 1 23 1 2 . . . . . . . . BER 1 . H172 parsed_6jwd 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 . . . . . 1.8 1.8 3.5 parsed_6jwd 1 2 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1 3 1 . . . . . 1.8 1.8 3.5 parsed_6jwd 1 4 1 . . . . . 1.8 1.8 3.5 parsed_6jwd 1 5 1 . . . . . 1.8 1.8 5.0 parsed_6jwd 1 6 1 . . . . . 1.8 1.8 3.5 parsed_6jwd 1 7 1 . . . . . 1.8 1.8 7.3 parsed_6jwd 1 8 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1 9 1 . . . . . 1.8 1.8 8.3 parsed_6jwd 1 10 1 . . . . . 1.8 1.8 7.0 parsed_6jwd 1 11 1 . . . . . 1.8 1.8 7.0 parsed_6jwd 1 12 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1 13 1 . . . . . 1.8 1.8 7.0 parsed_6jwd 1 14 1 . . . . . 1.8 1.8 7.0 parsed_6jwd 1 15 1 . . . . . 1.8 1.8 5.0 parsed_6jwd 1 16 1 . . . . . 1.8 1.8 7.0 parsed_6jwd 1 17 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1 18 1 . . . . . 1.8 1.8 9.0 parsed_6jwd 1 19 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1 20 1 . . . . . 1.8 1.8 3.5 parsed_6jwd 1 21 1 . . . . . 1.8 1.8 5.3 parsed_6jwd 1 22 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1 23 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 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 ; berberine intra ; 1 1 3 8 parsed_6jwd 1 2 "! two different H" 12 74 12 92 parsed_6jwd 1 3 "! two different H" 15 74 15 92 parsed_6jwd 1 4 inter 23 1 23 7 parsed_6jwd 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 ; assign (segid RET and resid 16 and name H2'��) (segid BER and resid 1 and (name H201 or name H202 or name H203)) 1.8 0.0 4.2 ; 70 1 71 84 parsed_6jwd 1 stop_ save_
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