NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
46795 | 2fey | cing | 2-parsed | STAR | dipolar coupling | 44 |
data_2fey_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2fey _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_2fey 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2fey _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 2fey "Master copy" parsed_2fey stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2fey _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 2fey.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2fey 1 1 2fey.mr . . XPLOR/CNS 2 distance NOE simple 952 parsed_2fey 1 1 2fey.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 225 parsed_2fey 1 1 2fey.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 64 parsed_2fey 1 1 2fey.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_2fey 1 1 2fey.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 44 parsed_2fey 1 1 2fey.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2fey 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_2fey _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 6 _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 . . . . . . . . . . . . . . . . 43.2 . . . . . 12 . C6 . 12 . H6 parsed_2fey 1 2 . . . . . . . . . . . . . . . . 22.95 . . . . . 12 . C5 . 12 . H5 parsed_2fey 1 3 . . . . . . . . . . . . . . . . 1.35 . . . . . 12 . C1' . 12 . H1' parsed_2fey 1 4 . . . . . . . . . . . . . . . . 38 . . . . . 17 . C8 . 17 . H8 parsed_2fey 1 5 . . . . . . . . . . . . . . . . 1.35 . . . . . 18 . C8 . 18 . H8 parsed_2fey 1 6 . . . . . . . . . . . . . . . . -12.15 . . . . . 18 . C1' . 18 . H1' parsed_2fey 1 7 . . . . . . . . . . . . . . . . 15 . . . . . 19 . C6 . 19 . H6 parsed_2fey 1 8 . . . . . . . . . . . . . . . . -11 . . . . . 19 . C1' . 19 . H1' parsed_2fey 1 9 . . . . . . . . . . . . . . . . 22 . . . . . 19 . C3' . 19 . H3' parsed_2fey 1 10 . . . . . . . . . . . . . . . . 33.75 . . . . . 20 . C8 . 20 . H8 parsed_2fey 1 11 . . . . . . . . . . . . . . . . 47.25 . . . . . 20 . C2 . 20 . H2 parsed_2fey 1 12 . . . . . . . . . . . . . . . . 1.35 . . . . . 20 . C1' . 20 . H1' parsed_2fey 1 13 . . . . . . . . . . . . . . . . 46 . . . . . 28 . C6 . 28 . H6 parsed_2fey 1 14 . . . . . . . . . . . . . . . . -33 . . . . . 28 . C1' . 28 . H1' parsed_2fey 1 15 . . . . . . . . . . . . . . . . 37.8 . . . . . 29 . C8 . 29 . H8 parsed_2fey 1 16 . . . . . . . . . . . . . . . . 47.25 . . . . . 29 . C2 . 29 . H2 parsed_2fey 1 17 . . . . . . . . . . . . . . . . -13.5 . . . . . 29 . C1' . 29 . H1' parsed_2fey 1 18 . . . . . . . . . . . . . . . . 28.35 . . . . . 31 . C6 . 31 . H6 parsed_2fey 1 19 . . . . . . . . . . . . . . . . 1.35 . . . . . 31 . C1' . 31 . H1' parsed_2fey 1 20 . . . . . . . . . . . . . . . . 31.05 . . . . . 32 . C8 . 32 . H8 parsed_2fey 1 21 . . . . . . . . . . . . . . . . 44.55 . . . . . 32 . C2 . 32 . H2 parsed_2fey 1 22 . . . . . . . . . . . . . . . . 47.25 . . . . . 33 . C8 . 33 . H8 parsed_2fey 1 23 . . . . . . . . . . . . . . . . 45.9 . . . . . 33 . C2 . 33 . H2 parsed_2fey 1 24 . . . . . . . . . . . . . . . . 23 . . . . . 34 . C6 . 34 . H6 parsed_2fey 1 25 . . . . . . . . . . . . . . . . -7 . . . . . 34 . C1' . 34 . H1' parsed_2fey 1 26 . . . . . . . . . . . . . . . . 33 . . . . . 35 . C8 . 35 . H8 parsed_2fey 1 27 . . . . . . . . . . . . . . . . -1 . . . . . 1 . C8 . 1 . H8 parsed_2fey 1 28 . . . . . . . . . . . . . . . . 31.05 . . . . . 2 . C8 . 2 . H8 parsed_2fey 1 29 . . . . . . . . . . . . . . . . 49.95 . . . . . 2 . C2 . 2 . H2 parsed_2fey 1 30 . . . . . . . . . . . . . . . . 3 . . . . . 3 . C8 . 3 . H8 parsed_2fey 1 31 . . . . . . . . . . . . . . . . 29.7 . . . . . 4 . C8 . 4 . H8 parsed_2fey 1 32 . . . . . . . . . . . . . . . . 36.45 . . . . . 4 . C2 . 4 . H2 parsed_2fey 1 33 . . . . . . . . . . . . . . . . -48.6 . . . . . 4 . C1' . 4 . H1' parsed_2fey 1 34 . . . . . . . . . . . . . . . . 40.5 . . . . . 5 . C6 . 5 . H6 parsed_2fey 1 35 . . . . . . . . . . . . . . . . 12.15 . . . . . 5 . C5 . 5 . H5 parsed_2fey 1 36 . . . . . . . . . . . . . . . . -24.3 . . . . . 5 . C1' . 5 . H1' parsed_2fey 1 37 . . . . . . . . . . . . . . . . -17.6 . . . . . 5 . C2' . 5 . H2'' parsed_2fey 1 38 . . . . . . . . . . . . . . . . 29 . . . . . 39 . C8 . 39 . H8 parsed_2fey 1 39 . . . . . . . . . . . . . . . . 14 . . . . . 40 . C1' . 40 . H1' parsed_2fey 1 40 . . . . . . . . . . . . . . . . 33.75 . . . . . 41 . C5 . 41 . H5 parsed_2fey 1 41 . . . . . . . . . . . . . . . . -13.5 . . . . . 43 . C6 . 43 . H6 parsed_2fey 1 42 . . . . . . . . . . . . . . . . 37.8 . . . . . 43 . C5 . 43 . H5 parsed_2fey 1 43 . . . . . . . . . . . . . . . . 33.75 . . . . . 43 . C2' . 43 . H2'' parsed_2fey 1 44 . . . . . . . . . . . . . . . . 12.15 . . . . . 43 . C3' . 43 . H3' parsed_2fey 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 ; tet43 RDCs measured in aprox 14mg/ml phage fully labeled sample, 10 mM NaHPO4 buffer with 0 mM NaCl, starting Da/R has all 13C RDCs V. Good 1.2, Good 1.6, Fair 2.0, Some OL 2.4 C12 ; 1 1 7 6 parsed_2fey 1 2 ; A13, U14 RDC not observed U15 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 15 and name C1' ) ( resid 15 and name H1' ) 18 2.0 U16 RDC not observed G17 ; 29 1 41 7 parsed_2fey 1 3 A18 49 1 49 6 parsed_2fey 1 4 U19 64 1 64 6 parsed_2fey 1 5 A20 86 1 86 6 parsed_2fey 1 6 ; C21 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 21 and name C6 ) ( resid 21 and name H6 ) 16.2 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 21 and name C5 ) ( resid 21 and name H5 ) 36.45 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 21 and name C2' ) ( resid 21 and name H2'' ) 29.7 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 21 and name C3' ) ( resid 21 and name H3' ) 28.35 2.0 A22 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 22 and name C8 ) ( resid 22 and name H8 ) 20.25 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 22 and name C2 ) ( resid 22 and name H2 ) 4.05 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 22 and name C1' ) ( resid 22 and name H1' ) -12.15 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 22 and name C2' ) ( resid 22 and name H2'' ) 36.45 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 22 and name C3' ) ( resid 22 and name H3' ) 16.2 2.0 C23 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 23 and name C6 ) ( resid 23 and name H6 ) 9.45 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 23 and name C1' ) ( resid 23 and name H1' ) -2.7 2.0 U24 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 24 and name C6 ) ( resid 24 and name H6 ) 0.0 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 24 and name C1' ) ( resid 24 and name H1' ) 14 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 24 and name C2' ) ( resid 24 and name H2'' ) 3 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 24 and name C3' ) ( resid 24 and name H3' ) -18 2.0 A25 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 25 and name C8 ) ( resid 25 and name H8 ) 12.15 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 25 and name C1' ) ( resid 25 and name H1' ) 17.55 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 25 and name C2' ) ( resid 25 and name H2'' ) -14.85 2.0 U26 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 26 and name C1' ) ( resid 26 and name H1' ) -15 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 26 and name C2' ) ( resid 26 and name H2'' ) 3 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 26 and name C3' ) ( resid 26 and name H3' ) -23 2.0 U27 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 27 and name C1' ) ( resid 27 and name H1' ) 55 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 27 and name C3' ) ( resid 27 and name H3' ) -15 2.0 U28 ; 108 1 276 6 parsed_2fey 1 7 A29 291 1 291 6 parsed_2fey 1 8 ; U30 C31 ; 313 1 315 6 parsed_2fey 1 9 A32 330 1 330 6 parsed_2fey 1 10 A33 345 1 345 6 parsed_2fey 1 11 U34 360 1 360 6 parsed_2fey 1 12 G35 375 1 375 6 parsed_2fey 1 13 ; tet43 RDCs measured in aprox 14mg/ml phage fully labeled sample, 10 mM NaHPO4 buffer with 0 mM NaCl, starting Da/R has all 13C RDCs V. Good 1.2, Good 1.6, Fair 2.0, Some OL 2.4 G1 ; 382 1 388 5 parsed_2fey 1 14 A2 396 1 396 5 parsed_2fey 1 15 G3 411 1 411 5 parsed_2fey 1 16 A4 419 1 419 5 parsed_2fey 1 17 C5 441 1 441 5 parsed_2fey 1 18 ; U6 RDC not observed A7 RDC not used U8 RDC not observed C9 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 9 and name C6 ) ( resid 9 and name H6 ) 33.75 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 9 and name C5 ) ( resid 9 and name H5 ) 24.3 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 9 and name C1' ) ( resid 9 and name H1' ) 9.45 2.0 G10 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 10 and name C8 ) ( resid 10 and name H8 ) 13 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 10 and name C1' ) ( resid 10 and name H1' ) -6 2.0 A11 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 11 and name C8 ) ( resid 11 and name H8 ) 45.9 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 11 and name C1' ) ( resid 11 and name H1' ) 2.7 2.0 G36 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 36 and name C8 ) ( resid 36 and name H8 ) 15 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 36 and name C2' ) ( resid 36 and name H2'' ) 16 2.0 A37 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 37 and name C8 ) ( resid 37 and name H8 ) 10.8 2.0 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 37 and name C2 ) ( resid 37 and name H2 ) 14.85 2.0 U38 assign ( resid 44 and name OO ) ( resid 44 and name Z ) ( resid 44 and name X ) ( resid 44 and name Y ) ( resid 38 and name C6 ) ( resid 38 and name H6 ) 36 2.0 G39 ; 470 1 564 6 parsed_2fey 1 19 U40 572 1 572 6 parsed_2fey 1 20 C41 580 1 580 6 parsed_2fey 1 21 ; U42 RDC not observed C43 ; 588 1 590 6 parsed_2fey 1 stop_ save_
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