NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
555842 | 2lwg | 18625 | cing | 2-parsed | STAR | dipolar coupling | 46 |
data_2lwg_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2lwg _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_2lwg 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2lwg _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 2lwg "Master copy" parsed_2lwg stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2lwg _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 2lwg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lwg 1 1 2lwg.mr . . AMBER 2 distance NOE ambi 548 parsed_2lwg 1 1 2lwg.mr . . AMBER 3 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_2lwg 1 1 2lwg.mr . . PDB 4 coordinate initial "Not applicable" 0 parsed_2lwg 1 1 2lwg.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lwg 1 stop_ save_ save_AMBER_dipolar_coupling_3 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_2lwg _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 3 _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 . . . . . . . . . . . . . . . . . 3.66 5.16 . . 2lwg_ambr001 9 DC C1' 2lwg_ambr001 9 DC H1' parsed_2lwg 1 2 . . . . . . . . . . . . . . . . . 3.66 5.16 . . 2lwg_ambr002 9 DC C1' 2lwg_ambr002 9 DC H1' parsed_2lwg 1 3 . . . . . . . . . . . . . . . . . 8.17 10.67 . . 2lwg_ambr001 3 DA C1' 2lwg_ambr001 3 DA H1' parsed_2lwg 1 4 . . . . . . . . . . . . . . . . . 8.17 10.67 . . 2lwg_ambr002 3 DA C1' 2lwg_ambr002 3 DA H1' parsed_2lwg 1 5 . . . . . . . . . . . . . . . . . 13.35 17.35 . . 2lwg_ambr001 8 DT C1' 2lwg_ambr001 8 DT H1' parsed_2lwg 1 6 . . . . . . . . . . . . . . . . . 13.35 17.35 . . 2lwg_ambr002 8 DT C1' 2lwg_ambr002 8 DT H1' parsed_2lwg 1 7 . . . . . . . . . . . . . . . . . -2.25 -0.75 . . 2lwg_ambr001 3 DA C4' 2lwg_ambr001 3 DA H4' parsed_2lwg 1 8 . . . . . . . . . . . . . . . . . -2.25 -0.75 . . 2lwg_ambr002 3 DA C4' 2lwg_ambr002 3 DA H4' parsed_2lwg 1 9 . . . . . . . . . . . . . . . . . 1.51 3.01 . . 2lwg_ambr001 2 DG C4' 2lwg_ambr001 2 DG H4' parsed_2lwg 1 10 . . . . . . . . . . . . . . . . . 1.51 3.01 . . 2lwg_ambr002 2 DG C4' 2lwg_ambr002 2 DG H4' parsed_2lwg 1 11 . . . . . . . . . . . . . . . . . 8.08 9.58 . . 2lwg_ambr001 10 DC3 C4' 2lwg_ambr001 10 DC3 H4' parsed_2lwg 1 12 . . . . . . . . . . . . . . . . . 8.08 9.58 . . 2lwg_ambr002 10 DC3 C4' 2lwg_ambr002 10 DC3 H4' parsed_2lwg 1 13 . . . . . . . . . . . . . . . . . 0.42 1.92 . . 2lwg_ambr001 1 DG5 C4' 2lwg_ambr001 1 DG5 H4' parsed_2lwg 1 14 . . . . . . . . . . . . . . . . . 0.42 1.92 . . 2lwg_ambr002 1 DG5 C4' 2lwg_ambr002 1 DG5 H4' parsed_2lwg 1 15 . . . . . . . . . . . . . . . . . 11.6 14.1 . . 2lwg_ambr001 9 DC C4' 2lwg_ambr001 9 DC H4' parsed_2lwg 1 16 . . . . . . . . . . . . . . . . . 11.6 14.1 . . 2lwg_ambr002 9 DC C4' 2lwg_ambr002 9 DC H4' parsed_2lwg 1 17 . . . . . . . . . . . . . . . . . 4.86 6.36 . . 2lwg_ambr001 10 DC3 C3' 2lwg_ambr001 10 DC3 H3' parsed_2lwg 1 18 . . . . . . . . . . . . . . . . . 4.86 6.36 . . 2lwg_ambr002 10 DC3 C3' 2lwg_ambr002 10 DC3 H3' parsed_2lwg 1 19 . . . . . . . . . . . . . . . . . 5.66 9.66 . . 2lwg_ambr001 10 DC3 C5 2lwg_ambr001 10 DC3 H5 parsed_2lwg 1 20 . . . . . . . . . . . . . . . . . 5.66 9.66 . . 2lwg_ambr002 10 DC3 C5 2lwg_ambr002 10 DC3 H5 parsed_2lwg 1 21 . . . . . . . . . . . . . . . . . 11.66 15.66 . . 2lwg_ambr001 9 DC C5 2lwg_ambr001 9 DC H5 parsed_2lwg 1 22 . . . . . . . . . . . . . . . . . 11.66 15.66 . . 2lwg_ambr002 9 DC C5 2lwg_ambr002 9 DC H5 parsed_2lwg 1 23 . . . . . . . . . . . . . . . . . 10.69 12.19 . . 2lwg_ambr001 3 DA C2 2lwg_ambr001 3 DA H2 parsed_2lwg 1 24 . . . . . . . . . . . . . . . . . 10.69 12.19 . . 2lwg_ambr002 3 DA C2 2lwg_ambr002 3 DA H2 parsed_2lwg 1 25 . . . . . . . . . . . . . . . . . 17.55 19.05 . . 2lwg_ambr001 7 DA C2 2lwg_ambr001 7 DA H2 parsed_2lwg 1 26 . . . . . . . . . . . . . . . . . 17.55 19.05 . . 2lwg_ambr002 7 DA C2 2lwg_ambr002 7 DA H2 parsed_2lwg 1 27 . . . . . . . . . . . . . . . . . 12.43 13.93 . . 2lwg_ambr001 5 DA C2 2lwg_ambr001 5 DA H2 parsed_2lwg 1 28 . . . . . . . . . . . . . . . . . 12.43 13.93 . . 2lwg_ambr002 5 DA C2 2lwg_ambr002 5 DA H2 parsed_2lwg 1 29 . . . . . . . . . . . . . . . . . 8.83 10.33 . . 2lwg_ambr001 9 DC C6 2lwg_ambr001 9 DC H6 parsed_2lwg 1 30 . . . . . . . . . . . . . . . . . 8.83 10.33 . . 2lwg_ambr002 9 DC C6 2lwg_ambr002 9 DC H6 parsed_2lwg 1 31 . . . . . . . . . . . . . . . . . 7.92 9.42 . . 2lwg_ambr001 10 DC3 C6 2lwg_ambr001 10 DC3 H6 parsed_2lwg 1 32 . . . . . . . . . . . . . . . . . 7.92 9.42 . . 2lwg_ambr002 10 DC3 C6 2lwg_ambr002 10 DC3 H6 parsed_2lwg 1 33 . . . . . . . . . . . . . . . . . 13.47 14.97 . . 2lwg_ambr001 1 DG5 C8 2lwg_ambr001 1 DG5 H8 parsed_2lwg 1 34 . . . . . . . . . . . . . . . . . 13.47 14.97 . . 2lwg_ambr002 1 DG5 C8 2lwg_ambr002 1 DG5 H8 parsed_2lwg 1 35 . . . . . . . . . . . . . . . . . 11.02 12.52 . . 2lwg_ambr001 2 DG C8 2lwg_ambr001 2 DG H8 parsed_2lwg 1 36 . . . . . . . . . . . . . . . . . 11.02 12.52 . . 2lwg_ambr002 2 DG C8 2lwg_ambr002 2 DG H8 parsed_2lwg 1 37 . . . . . . . . . . . . . . . . . 11.5 15.5 . . 2lwg_ambr001 4 DT C6 2lwg_ambr001 4 DT H6 parsed_2lwg 1 38 . . . . . . . . . . . . . . . . . 11.5 15.5 . . 2lwg_ambr002 4 DT C6 2lwg_ambr002 4 DT H6 parsed_2lwg 1 39 . . . . . . . . . . . . . . . . . 4.18 5.68 . . 2lwg_ambr001 10 DC3 C1' 2lwg_ambr001 10 DC3 H1' parsed_2lwg 1 40 . . . . . . . . . . . . . . . . . 4.18 5.68 . . 2lwg_ambr002 10 DC3 C1' 2lwg_ambr002 10 DC3 H1' parsed_2lwg 1 41 . . . . . . . . . . . . . . . . . 9.75 13.25 . . 2lwg_ambr001 1 DG5 C1' 2lwg_ambr001 1 DG5 H1' parsed_2lwg 1 42 . . . . . . . . . . . . . . . . . 9.75 13.25 . . 2lwg_ambr002 1 DG5 C1' 2lwg_ambr002 1 DG5 H1' parsed_2lwg 1 43 . . . . . . . . . . . . . . . . . 9.75 13.25 . . 2lwg_ambr001 2 DG C1' 2lwg_ambr001 2 DG H1' parsed_2lwg 1 44 . . . . . . . . . . . . . . . . . 9.75 13.25 . . 2lwg_ambr002 2 DG C1' 2lwg_ambr002 2 DG H1' parsed_2lwg 1 45 . . . . . . . . . . . . . . . . . 10.01 11.51 . . 2lwg_ambr001 3 DA C8 2lwg_ambr001 3 DA H8 parsed_2lwg 1 46 . . . . . . . . . . . . . . . . . 10.01 11.51 . . 2lwg_ambr002 3 DA C8 2lwg_ambr002 3 DA H8 parsed_2lwg 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 ; medium2 weighting for rdcs (0.6-0.8) Toleranz fuer kategorie a: +- 0.75 Toleranz fuer kategorie b: +- 1.25 Toleranz fuer kategorie c: +- 2 Individuelle Gewichtung fuer Kategorie a+ (6 Adenine H2's) freezemol=false ; 1 1 8 2 parsed_2lwg 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 freezemol=false, ndip=46, dcut=-1.0, gigj=46*7.8466509, s11=15.822, s22=-34.515, s12=5.405, s13=43.725, s23=0.335, dwt(1)=0.6, dwt(2)=0.6, dwt(3)=0.6, dwt(4)=0.6, dwt(5)=0.6, dwt(6)=0.6, dwt(39)=0.6, dwt(40)=0.6, dwt(41)=0.6, dwt(42)=0.6, dwt(43)=0.6, dwt(44)=0.6, dwt(7)=0.6, dwt(8)=0.6, dwt(9)=0.6, dwt(10)=0.6, dwt(11)=0.6, dwt(12)=0.6, dwt(13)=0.6, dwt(14)=0.6, dwt(15)=0.6, dwt(16)=0.6, dwt(17)=0.6, dwt(18)=0.6, dwt(19)=0.6, dwt(20)=0.6, dwt(21)=0.6, dwt(22)=0.6, dwt(23)=0.8, dwt(24)=0.8, dwt(25)=0.8, dwt(26)=0.8, dwt(27)=0.8, dwt(28)=0.8, dwt(29)=0.6, dwt(30)=0.6, dwt(31)=0.6, dwt(32)=0.6, dwt(33)=0.6, dwt(34)=0.6, dwt(35)=0.6, dwt(36)=0.6, dwt(45)=0.6, dwt(46)=0.6, dwt(37)=0.6, dwt(38)=0.6, ; 10 1 60 12 parsed_2lwg 1 2 / 108 1 108 1 parsed_2lwg 1 stop_ save_
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