NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
546072 | 2lps | 18274 | cing | 2-parsed | STAR | dipolar coupling | 24 |
data_2lps_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2lps _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_2lps 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2lps _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 2lps "Master copy" parsed_2lps stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2lps _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 2lps.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lps 1 1 2lps.mr . . AMBER 2 distance NOE simple 592 parsed_2lps 1 1 2lps.mr . . AMBER 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lps 1 1 2lps.mr . . AMBER 4 "dipolar coupling" "Not applicable" "Not applicable" 24 parsed_2lps 1 1 2lps.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lps 1 stop_ save_ save_AMBER_dipolar_coupling_4 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_2lps _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 4 _RDC_constraint_list.Details "Generated by Wattos" loop_ _RDC_constraint.ID _RDC_constraint.Assembly_atom_ID_1 _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Seq_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Resonance_ID_1 _RDC_constraint.Assembly_atom_ID_2 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Seq_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.Resonance_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.Source_experiment_ID _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 . . . . . . . . . . . . . . . . . 27.3 29.7 . . 2lps_ambr001 2 A C2 2lps_ambr001 2 A H2 parsed_2lps 1 2 . . . . . . . . . . . . . . . . . 3.8 6.2 . . 2lps_ambr001 4 C C6 2lps_ambr001 4 C H6 parsed_2lps 1 3 . . . . . . . . . . . . . . . . . 40.8 43.2 . . 2lps_ambr001 7 U C6 2lps_ambr001 7 U H6 parsed_2lps 1 4 . . . . . . . . . . . . . . . . . 22.8 25.2 . . 2lps_ambr001 8 A C2 2lps_ambr001 8 A H2 parsed_2lps 1 5 . . . . . . . . . . . . . . . . . 32.8 35.2 . . 2lps_ambr001 8 A C8 2lps_ambr001 8 A H8 parsed_2lps 1 6 . . . . . . . . . . . . . . . . . 13.8 16.2 . . 2lps_ambr001 10 G C8 2lps_ambr001 10 G H8 parsed_2lps 1 7 . . . . . . . . . . . . . . . . . 31.8 34.2 . . 2lps_ambr001 12 G C8 2lps_ambr001 12 G H8 parsed_2lps 1 8 . . . . . . . . . . . . . . . . . 34.8 37.2 . . 2lps_ambr001 13 A C2 2lps_ambr001 13 A H2 parsed_2lps 1 9 . . . . . . . . . . . . . . . . . 41.8 44.2 . . 2lps_ambr001 13 A C8 2lps_ambr001 13 A H8 parsed_2lps 1 10 . . . . . . . . . . . . . . . . . -3.2 -0.8 . . 2lps_ambr001 15 G C8 2lps_ambr001 15 G H8 parsed_2lps 1 11 . . . . . . . . . . . . . . . . . 20.8 23.2 . . 2lps_ambr001 16 A C2 2lps_ambr001 16 A H2 parsed_2lps 1 12 . . . . . . . . . . . . . . . . . 12.8 15.2 . . 2lps_ambr001 16 A C8 2lps_ambr001 16 A H8 parsed_2lps 1 13 . . . . . . . . . . . . . . . . . 14.8 17.2 . . 2lps_ambr001 17 A C2 2lps_ambr001 17 A H2 parsed_2lps 1 14 . . . . . . . . . . . . . . . . . 17.8 20.2 . . 2lps_ambr001 17 A C8 2lps_ambr001 17 A H8 parsed_2lps 1 15 . . . . . . . . . . . . . . . . . 6.8 9.2 . . 2lps_ambr001 18 A C2 2lps_ambr001 18 A H2 parsed_2lps 1 16 . . . . . . . . . . . . . . . . . 14.8 17.2 . . 2lps_ambr001 19 G C8 2lps_ambr001 19 G H8 parsed_2lps 1 17 . . . . . . . . . . . . . . . . . 33.8 36.2 . . 2lps_ambr001 21 C C6 2lps_ambr001 21 C H6 parsed_2lps 1 18 . . . . . . . . . . . . . . . . . 32.8 35.2 . . 2lps_ambr001 22 G C8 2lps_ambr001 22 G H8 parsed_2lps 1 19 . . . . . . . . . . . . . . . . . 24.8 27.2 . . 2lps_ambr001 24 A C2 2lps_ambr001 24 A H2 parsed_2lps 1 20 . . . . . . . . . . . . . . . . . 30.8 33.2 . . 2lps_ambr001 28 A C2 2lps_ambr001 28 A H2 parsed_2lps 1 21 . . . . . . . . . . . . . . . . . 34.8 37.2 . . 2lps_ambr001 28 A C8 2lps_ambr001 28 A H8 parsed_2lps 1 22 . . . . . . . . . . . . . . . . . 21.8 24.2 . . 2lps_ambr001 30 G C8 2lps_ambr001 30 G H8 parsed_2lps 1 23 . . . . . . . . . . . . . . . . . 2.8 5.2 . . 2lps_ambr001 32 U C6 2lps_ambr001 32 U H6 parsed_2lps 1 24 . . . . . . . . . . . . . . . . . 21.8 24.2 . . 2lps_ambr001 33 U C6 2lps_ambr001 33 U H6 parsed_2lps 1 stop_ loop_ _RDC_constraint_comment_org.ID _RDC_constraint_comment_org.Comment_text _RDC_constraint_comment_org.Comment_begin_line _RDC_constraint_comment_org.Comment_begin_column _RDC_constraint_comment_org.Comment_end_line _RDC_constraint_comment_org.Comment_end_column _RDC_constraint_comment_org.Entry_ID _RDC_constraint_comment_org.RDC_constraint_list_ID 1 ; Alignment tensor: 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 gigj = 24*7.84665, dwt = 24*0.02 use freezemol=.true. from initial structure to get tensor! freezemol=.true., ; 1 1 7 24 parsed_2lps 1 stop_ loop_ _RDC_constraint_parse_err.ID _RDC_constraint_parse_err.Content _RDC_constraint_parse_err.Begin_line _RDC_constraint_parse_err.Begin_column _RDC_constraint_parse_err.End_line _RDC_constraint_parse_err.End_column _RDC_constraint_parse_err.Entry_ID _RDC_constraint_parse_err.RDC_constraint_list_ID 1 ; &align ndip=24, dcut = -1.0, gigj = 24*7.84665, dwt = 24*0.02 s11 = 0.000, s22= 0.000, s12= 0.000, s13= 0.000, s23= 0.000, ; 9 2 11 73 parsed_2lps 1 2 / 36 2 36 2 parsed_2lps 1 stop_ save_
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