NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
41401 | 1x2y | cing | 2-parsed | STAR | dipolar coupling | 52 |
data_1x2y_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1x2y _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_1x2y 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1x2y _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 1x2y "Master copy" parsed_1x2y stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1x2y _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 1x2y.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1x2y 1 1 1x2y.mr . . XPLOR/CNS 2 distance NOE simple 144 parsed_1x2y 1 1 1x2y.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 52 parsed_1x2y 1 1 1x2y.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1x2y 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_1x2y _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 . . . . . . . . . . . . . . . . 10.854 . . . . . 1 . C8 . 1 . H8 parsed_1x2y 1 2 . . . . . . . . . . . . . . . . 6.875 . . . . . 2 . C8 . 2 . H8 parsed_1x2y 1 3 . . . . . . . . . . . . . . . . 8.417 . . . . . 3 . C6 . 3 . H6 parsed_1x2y 1 4 . . . . . . . . . . . . . . . . 10.647 . . . . . 4 . C6 . 4 . H6 parsed_1x2y 1 5 . . . . . . . . . . . . . . . . 7.808 . . . . . 5 . C8 . 5 . H8 parsed_1x2y 1 6 . . . . . . . . . . . . . . . . 14.570 . . . . . 6 . C6 . 6 . H6 parsed_1x2y 1 7 . . . . . . . . . . . . . . . . 7.808 . . . . . 7 . C8 . 7 . H8 parsed_1x2y 1 8 . . . . . . . . . . . . . . . . 12.026 . . . . . 9 . C8 . 9 . H8 parsed_1x2y 1 9 . . . . . . . . . . . . . . . . 8.640 . . . . . 10 . C8 . 10 . H8 parsed_1x2y 1 10 . . . . . . . . . . . . . . . . 7.107 . . . . . 11 . C6 . 11 . H6 parsed_1x2y 1 11 . . . . . . . . . . . . . . . . 4.887 . . . . . 12 . C6 . 12 . H6 parsed_1x2y 1 12 . . . . . . . . . . . . . . . . 10.854 . . . . . 13 . C8 . 13 . H8 parsed_1x2y 1 13 . . . . . . . . . . . . . . . . 6.875 . . . . . 14 . C8 . 14 . H8 parsed_1x2y 1 14 . . . . . . . . . . . . . . . . 8.417 . . . . . 15 . C6 . 15 . H6 parsed_1x2y 1 15 . . . . . . . . . . . . . . . . 10.647 . . . . . 16 . C6 . 16 . H6 parsed_1x2y 1 16 . . . . . . . . . . . . . . . . 7.808 . . . . . 17 . C8 . 17 . H8 parsed_1x2y 1 17 . . . . . . . . . . . . . . . . 14.570 . . . . . 18 . C6 . 18 . H6 parsed_1x2y 1 18 . . . . . . . . . . . . . . . . 7.808 . . . . . 19 . C8 . 19 . H8 parsed_1x2y 1 19 . . . . . . . . . . . . . . . . 12.026 . . . . . 21 . C8 . 21 . H8 parsed_1x2y 1 20 . . . . . . . . . . . . . . . . 8.640 . . . . . 22 . C8 . 22 . H8 parsed_1x2y 1 21 . . . . . . . . . . . . . . . . 7.107 . . . . . 23 . C6 . 23 . H6 parsed_1x2y 1 22 . . . . . . . . . . . . . . . . 4.887 . . . . . 24 . C6 . 24 . H6 parsed_1x2y 1 23 . . . . . . . . . . . . . . . . 4.812 . . . . . 1 . C1' . 1 . H1' parsed_1x2y 1 24 . . . . . . . . . . . . . . . . 9.032 . . . . . 2 . C1' . 2 . H1' parsed_1x2y 1 25 . . . . . . . . . . . . . . . . 7.312 . . . . . 5 . C1' . 5 . H1' parsed_1x2y 1 26 . . . . . . . . . . . . . . . . 9.892 . . . . . 7 . C1' . 7 . H1' parsed_1x2y 1 27 . . . . . . . . . . . . . . . . 6.693 . . . . . 10 . C1' . 10 . H1' parsed_1x2y 1 28 . . . . . . . . . . . . . . . . 5.06 . . . . . 11 . C1' . 11 . H1' parsed_1x2y 1 29 . . . . . . . . . . . . . . . . 2.589 . . . . . 12 . C1' . 12 . H1' parsed_1x2y 1 30 . . . . . . . . . . . . . . . . 4.812 . . . . . 13 . C1' . 13 . H1' parsed_1x2y 1 31 . . . . . . . . . . . . . . . . 9.032 . . . . . 14 . C1' . 14 . H1' parsed_1x2y 1 32 . . . . . . . . . . . . . . . . 7.312 . . . . . 17 . C1' . 17 . H1' parsed_1x2y 1 33 . . . . . . . . . . . . . . . . 9.892 . . . . . 19 . C1' . 19 . H1' parsed_1x2y 1 34 . . . . . . . . . . . . . . . . 6.693 . . . . . 22 . C1' . 22 . H1' parsed_1x2y 1 35 . . . . . . . . . . . . . . . . 5.06 . . . . . 23 . C1' . 23 . H1' parsed_1x2y 1 36 . . . . . . . . . . . . . . . . 2.589 . . . . . 24 . C1' . 24 . H1' parsed_1x2y 1 37 . . . . . . . . . . . . . . . . 10.377 . . . . . 2 . C2 . 2 . H2 parsed_1x2y 1 38 . . . . . . . . . . . . . . . . 10.377 . . . . . 14 . C2 . 14 . H2 parsed_1x2y 1 39 . . . . . . . . . . . . . . . . 6.498 . . . . . 3 . C5 . 3 . H5 parsed_1x2y 1 40 . . . . . . . . . . . . . . . . 12.836 . . . . . 8 . C5 . 8 . H5 parsed_1x2y 1 41 . . . . . . . . . . . . . . . . 7.520 . . . . . 12 . C5 . 12 . H5 parsed_1x2y 1 42 . . . . . . . . . . . . . . . . 6.498 . . . . . 15 . C5 . 15 . H5 parsed_1x2y 1 43 . . . . . . . . . . . . . . . . 12.836 . . . . . 20 . C5 . 20 . H5 parsed_1x2y 1 44 . . . . . . . . . . . . . . . . 7.520 . . . . . 24 . C5 . 24 . H5 parsed_1x2y 1 45 . . . . . . . . . . . . . . . . 5.903 . . . . . 1 . C4' . 1 . H4' parsed_1x2y 1 46 . . . . . . . . . . . . . . . . -6.352 . . . . . 6 . C4' . 6 . H4' parsed_1x2y 1 47 . . . . . . . . . . . . . . . . 6.797 . . . . . 7 . C4' . 7 . H4' parsed_1x2y 1 48 . . . . . . . . . . . . . . . . 5.797 . . . . . 12 . C4' . 12 . H4' parsed_1x2y 1 49 . . . . . . . . . . . . . . . . 5.903 . . . . . 13 . C4' . 13 . H4' parsed_1x2y 1 50 . . . . . . . . . . . . . . . . -6.352 . . . . . 18 . C4' . 18 . H4' parsed_1x2y 1 51 . . . . . . . . . . . . . . . . 6.797 . . . . . 19 . C4' . 19 . H4' parsed_1x2y 1 52 . . . . . . . . . . . . . . . . 5.797 . . . . . 24 . C4' . 24 . H4' parsed_1x2y 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 ; !ADN avec PF1, programme de xwinnmr pour les de RDC !C-H region aromatique ; 3 1 4 24 parsed_1x2y 1 2 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 8 and name C6 ) ( resid 8 and name H6 ) 16.877 2.500 ; 59 1 64 81 parsed_1x2y 1 3 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 20 and name C6 ) ( resid 20 and name H6 ) 16.877 2.500 ; 152 1 157 69 parsed_1x2y 1 4 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 3 and name C1' ) ( resid 3 and name H1' ) -2.008 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 4 and name C1' ) ( resid 4 and name H1' ) 6.325 2.500 ; 204 1 216 65 parsed_1x2y 1 5 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 6 and name C1' ) ( resid 6 and name H1' ) 7.767 2.500 ; 225 1 230 62 parsed_1x2y 1 6 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 8 and name C1' ) ( resid 8 and name H1' ) 7.232 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 9 and name C1' ) ( resid 9 and name H1' ) 7.075 2.500 ; 240 1 252 61 parsed_1x2y 1 7 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 15 and name C1' ) ( resid 15 and name H1' ) -2.008 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 16 and name C1' ) ( resid 16 and name H1' ) 6.325 2.500 ; 290 1 302 65 parsed_1x2y 1 8 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 18 and name C1' ) ( resid 18 and name H1' ) 7.767 2.500 ; 311 1 316 63 parsed_1x2y 1 9 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 20 and name C1' ) ( resid 20 and name H1' ) 7.232 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 21 and name C1' ) ( resid 21 and name H1' ) 7.075 2.500 ; 326 1 338 60 parsed_1x2y 1 10 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 9 and name C2 ) ( resid 9 and name H2 ) 13.774 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 21 and name C2 ) ( resid 21 and name H2 ) 13.774 2.500 ; 378 1 391 59 parsed_1x2y 1 11 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 2 and name C4' ) ( resid 2 and name H4' ) 2.248 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 3 and name C4' ) ( resid 3 and name H4' ) -2.396 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 4 and name C4' ) ( resid 4 and name H4' ) 5.012 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 5 and name C4' ) ( resid 5 and name H4' ) -1.778 2.500 ; 453 1 479 59 parsed_1x2y 1 12 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 8 and name C4' ) ( resid 8 and name H4' ) 6.384 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 9 and name C4' ) ( resid 9 and name H4' ) 9.500 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 10 and name C4' ) ( resid 10 and name H4' ) 11.162 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 11 and name C4' ) ( resid 11 and name H4' ) 10.038 2.500 ; 495 1 521 59 parsed_1x2y 1 13 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 14 and name C4' ) ( resid 14 and name H4' ) 2.248 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 15 and name C4' ) ( resid 15 and name H4' ) -2.396 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 16 and name C4' ) ( resid 16 and name H4' ) 5.012 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 17 and name C4' ) ( resid 17 and name H4' ) -1.778 2.500 ; 540 1 566 59 parsed_1x2y 1 14 ; assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 20 and name C4' ) ( resid 20 and name H4' ) 6.384 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 21 and name C4' ) ( resid 21 and name H4' ) 9.500 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 22 and name C4' ) ( resid 22 and name H4' ) 11.162 2.500 assign ( resid 25 and name OO ) ( resid 25 and name Z ) ( resid 25 and name X ) ( resid 25 and name Y ) ( resid 23 and name C4' ) ( resid 23 and name H4' ) 10.038 2.500 ; 582 1 608 59 parsed_1x2y 1 stop_ save_
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