NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
476173 | 1kr8 | 5282 | cing | 2-parsed | STAR | distance | NOE | simple | 10 |
data_1kr8_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1kr8 _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_1kr8 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1kr8 _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 1kr8 "Master copy" parsed_1kr8 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1kr8 _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 1kr8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1 1 1kr8.mr . . AMBER 2 distance NOE simple 10 parsed_1kr8 1 1 1kr8.mr . . AMBER 3 distance NOE simple 0 parsed_1kr8 1 1 1kr8.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1kr8 1 1 1kr8.mr . . AMBER 5 distance NOE simple 0 parsed_1kr8 1 1 1kr8.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1 1 1kr8.mr . . AMBER 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1kr8 1 1 1kr8.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1 1 1kr8.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kr8 1 stop_ save_ save_AMBER_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1kr8 _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_1kr8 1 2 1 . . . parsed_1kr8 1 3 1 . . . parsed_1kr8 1 4 1 . . . parsed_1kr8 1 5 1 . . . parsed_1kr8 1 6 1 . . . parsed_1kr8 1 7 1 . . . parsed_1kr8 1 8 1 . . . parsed_1kr8 1 9 1 . . . parsed_1kr8 1 10 1 . . . parsed_1kr8 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 . . . . . . . . 1kr8_ambr001 1 G H1 parsed_1kr8 1 1 1 2 . . . . . . . . 1kr8_ambr001 7 C N3 parsed_1kr8 1 2 1 1 . . . . . . . . 1kr8_ambr001 1 G H21 parsed_1kr8 1 2 1 2 . . . . . . . . 1kr8_ambr001 7 C O2 parsed_1kr8 1 3 1 1 . . . . . . . . 1kr8_ambr001 1 G N1 parsed_1kr8 1 3 1 2 . . . . . . . . 1kr8_ambr001 7 C N3 parsed_1kr8 1 4 1 1 . . . . . . . . 1kr8_ambr001 1 G O6 parsed_1kr8 1 4 1 2 . . . . . . . . 1kr8_ambr001 7 C H42 parsed_1kr8 1 5 1 1 . . . . . . . . 1kr8_ambr001 1 G O6 parsed_1kr8 1 5 1 2 . . . . . . . . 1kr8_ambr001 7 C N4 parsed_1kr8 1 6 1 1 . . . . . . . . 1kr8_ambr001 2 C H41 parsed_1kr8 1 6 1 2 . . . . . . . . 1kr8_ambr001 6 G O6 parsed_1kr8 1 7 1 1 . . . . . . . . 1kr8_ambr001 2 C N3 parsed_1kr8 1 7 1 2 . . . . . . . . 1kr8_ambr001 6 G H1 parsed_1kr8 1 8 1 1 . . . . . . . . 1kr8_ambr001 2 C N3 parsed_1kr8 1 8 1 2 . . . . . . . . 1kr8_ambr001 6 G N1 parsed_1kr8 1 9 1 1 . . . . . . . . 1kr8_ambr001 2 C N4 parsed_1kr8 1 9 1 2 . . . . . . . . 1kr8_ambr001 6 G O6 parsed_1kr8 1 10 1 1 . . . . . . . . 1kr8_ambr001 2 C O2 parsed_1kr8 1 10 1 2 . . . . . . . . 1kr8_ambr001 6 G H21 parsed_1kr8 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 . . . . . 2.04 1.84 2.54 parsed_1kr8 1 2 1 . . . . . 1.95 1.75 2.45 parsed_1kr8 1 3 1 . . . . . 3.05 2.85 3.55 parsed_1kr8 1 4 1 . . . . . 2.00 1.80 2.50 parsed_1kr8 1 5 1 . . . . . 3.01 2.81 3.51 parsed_1kr8 1 6 1 . . . . . 2.00 1.80 2.50 parsed_1kr8 1 7 1 . . . . . 2.04 1.84 2.54 parsed_1kr8 1 8 1 . . . . . 3.05 2.85 3.55 parsed_1kr8 1 9 1 . . . . . 3.01 2.81 3.51 parsed_1kr8 1 10 1 . . . . . 1.95 1.75 2.45 parsed_1kr8 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 ; The atomnumbering does not correspond to the one in 1KR8.pdb. Instead the atom numbers, as well as atom/residue names, correspond to default naming/numbering convention in AMBER 6.0, the exception being the NOE restraints converted by program mardi2amber (search for string "mardi" and see the note). Nevertheless, all restraints are in SANDER6 readable format. ################################################################### WC retraints, WC by Saenger GA sheared mismatch is switched off ################################################################## 1 GUA H1 7 CYT N3 1.84 2.04 ; 1 1 13 45 parsed_1kr8 1 2 "1 GUA H21 7 CYT O2 1.75 1.95" 18 1 19 45 parsed_1kr8 1 3 "1 GUA N1 7 CYT N3 2.85 3.05" 22 1 23 45 parsed_1kr8 1 4 "1 GUA O6 7 CYT H42 1.80 2.00" 26 1 27 45 parsed_1kr8 1 5 "1 GUA O6 7 CYT N4 2.81 3.01" 30 1 31 45 parsed_1kr8 1 6 "2 CYT H41 6 GUA O6 1.80 2.00" 34 1 35 45 parsed_1kr8 1 7 "2 CYT N3 6 GUA H1 1.84 2.04" 38 1 39 45 parsed_1kr8 1 8 "2 CYT N3 6 GUA N1 2.85 3.05" 42 1 43 45 parsed_1kr8 1 9 "2 CYT N4 6 GUA O6 2.81 3.01" 46 1 47 45 parsed_1kr8 1 10 "2 CYT O2 6 GUA H21 1.75 1.95" 50 1 51 45 parsed_1kr8 1 11 ; 3 GUA H22 5 ADE N7 1.80 2.10 &rst ixpk= 0, nxpk= 0, iat= 86, 142, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60, &end 3 GUA N2 5 ADE N7 2.80 3.10 &rst ixpk= 0, nxpk= 0, iat= 84, 142, r1= 2.30, r2= 2.80, r3= 3.10, r4= 3.60, &end 3 GUA N3 5 ADE H62 1.80 2.10 &rst ixpk= 0, nxpk= 0, iat= 87, 147, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60, &end 3 GUA N3 5 ADE N6 2.80 3.10 &rst ixpk= 0, nxpk= 0, iat= 87, 145, r1= 2.30, r2= 2.80, r3= 3.10, r4= 3.60, &end ; 54 1 69 82 parsed_1kr8 1 stop_ save_
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