NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
51213 | 2k5z | cing | 2-parsed | STAR | dipolar coupling | 89 |
data_2k5z_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2k5z _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_2k5z 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2k5z _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 2k5z "Master copy" parsed_2k5z stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2k5z _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 2k5z.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 6 parsed_2k5z 1 1 2k5z.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 6 parsed_2k5z 1 1 2k5z.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 6 parsed_2k5z 1 1 2k5z.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_2k5z 1 1 2k5z.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 11 distance "general distance" simple 59 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 12 distance NOE simple 93 parsed_2k5z 1 1 2k5z.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 14 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_2k5z 1 1 2k5z.mr . . n/a 15 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 16 planarity "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . n/a 17 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 18 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_2k5z 1 1 2k5z.mr . . n/a 19 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 20 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_2k5z 1 1 2k5z.mr . . n/a 21 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 22 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_2k5z 1 1 2k5z.mr . . n/a 23 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 24 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_2k5z 1 1 2k5z.mr . . n/a 25 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 26 "dipolar coupling" "Not applicable" "Not applicable" 89 parsed_2k5z 1 1 2k5z.mr . . n/a 27 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 28 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . XPLOR/CNS 29 distance NOE simple 0 parsed_2k5z 1 1 2k5z.mr . . n/a 30 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1 1 2k5z.mr . . "MR format" 31 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k5z 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_26 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_2k5z _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 26 _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 . . . . . . . . . . . . . . . . 18.28 . . . . APIC 6 . C2 APIC 6 . H2 parsed_2k5z 1 2 . . . . . . . . . . . . . . . . 22.44 . . . . APIC 8 . C2 APIC 8 . H2 parsed_2k5z 1 3 . . . . . . . . . . . . . . . . 14.01 . . . . APIC 27 . C2 APIC 27 . H2 parsed_2k5z 1 4 . . . . . . . . . . . . . . . . 21.94 . . . . APIC 1 . C8 APIC 1 . H8 parsed_2k5z 1 5 . . . . . . . . . . . . . . . . 10.91 . . . . APIC 2 . C8 APIC 2 . H8 parsed_2k5z 1 6 . . . . . . . . . . . . . . . . 17.37 . . . . APIC 6 . C8 APIC 6 . H8 parsed_2k5z 1 7 . . . . . . . . . . . . . . . . 24.23 . . . . APIC 8 . C8 APIC 8 . H8 parsed_2k5z 1 8 . . . . . . . . . . . . . . . . 20.1 . . . . APIC 11 . C8 APIC 11 . H8 parsed_2k5z 1 9 . . . . . . . . . . . . . . . . 6.48 . . . . APIC 14 . C8 APIC 14 . H8 parsed_2k5z 1 10 . . . . . . . . . . . . . . . . 14.39 . . . . APIC 17 . C8 APIC 17 . H8 parsed_2k5z 1 11 . . . . . . . . . . . . . . . . 22.79 . . . . APIC 20 . C8 APIC 20 . H8 parsed_2k5z 1 12 . . . . . . . . . . . . . . . . 22.49 . . . . APIC 22 . C8 APIC 22 . H8 parsed_2k5z 1 13 . . . . . . . . . . . . . . . . 17.31 . . . . APIC 24 . C8 APIC 24 . H8 parsed_2k5z 1 14 . . . . . . . . . . . . . . . . 12.3 . . . . APIC 26 . C8 APIC 26 . H8 parsed_2k5z 1 15 . . . . . . . . . . . . . . . . 8.28 . . . . APIC 27 . C8 APIC 27 . H8 parsed_2k5z 1 16 . . . . . . . . . . . . . . . . 21.12 . . . . APIC 3 . C5 APIC 3 . H5 parsed_2k5z 1 17 . . . . . . . . . . . . . . . . 16.58 . . . . APIC 4 . C5 APIC 4 . H5 parsed_2k5z 1 18 . . . . . . . . . . . . . . . . 10.14 . . . . APIC 5 . C5 APIC 5 . H5 parsed_2k5z 1 19 . . . . . . . . . . . . . . . . 25.04 . . . . APIC 7 . C5 APIC 7 . H5 parsed_2k5z 1 20 . . . . . . . . . . . . . . . . 27.39 . . . . APIC 9 . C5 APIC 9 . H5 parsed_2k5z 1 21 . . . . . . . . . . . . . . . . 15.04 . . . . APIC 10 . C5 APIC 10 . H5 parsed_2k5z 1 22 . . . . . . . . . . . . . . . . 26.07 . . . . APIC 12 . C5 APIC 12 . H5 parsed_2k5z 1 23 . . . . . . . . . . . . . . . . 14.59 . . . . APIC 13 . C5 APIC 13 . H5 parsed_2k5z 1 24 . . . . . . . . . . . . . . . . 17.24 . . . . APIC 18 . C5 APIC 18 . H5 parsed_2k5z 1 25 . . . . . . . . . . . . . . . . 15.31 . . . . APIC 19 . C5 APIC 19 . H5 parsed_2k5z 1 26 . . . . . . . . . . . . . . . . 23.47 . . . . APIC 21 . C5 APIC 21 . H5 parsed_2k5z 1 27 . . . . . . . . . . . . . . . . 24.74 . . . . APIC 23 . C5 APIC 23 . H5 parsed_2k5z 1 28 . . . . . . . . . . . . . . . . 11.97 . . . . APIC 28 . C5 APIC 28 . H5 parsed_2k5z 1 29 . . . . . . . . . . . . . . . . 13.03 . . . . APIC 29 . C5 APIC 29 . H5 parsed_2k5z 1 30 . . . . . . . . . . . . . . . . 6.00 . . . . APIC 4 . H6 APIC 4 . C6 parsed_2k5z 1 31 . . . . . . . . . . . . . . . . 12.20 . . . . APIC 5 . H6 APIC 5 . C6 parsed_2k5z 1 32 . . . . . . . . . . . . . . . . 22.33 . . . . APIC 9 . H6 APIC 9 . C6 parsed_2k5z 1 33 . . . . . . . . . . . . . . . . 9.62 . . . . APIC 12 . H6 APIC 12 . C6 parsed_2k5z 1 34 . . . . . . . . . . . . . . . . 0.93 . . . . APIC 13 . H6 APIC 13 . C6 parsed_2k5z 1 35 . . . . . . . . . . . . . . . . 23.17 . . . . APIC 21 . H6 APIC 21 . C6 parsed_2k5z 1 36 . . . . . . . . . . . . . . . . 15.7 . . . . APIC 28 . H6 APIC 28 . C6 parsed_2k5z 1 37 . . . . . . . . . . . . . . . . 14.64 . . . . APIC 29 . H6 APIC 29 . C6 parsed_2k5z 1 38 . . . . . . . . . . . . . . . . -12.82 . . . . APIC 2 . H1' APIC 2 . C1' parsed_2k5z 1 39 . . . . . . . . . . . . . . . . -28.03 . . . . APIC 4 . H1' APIC 4 . C1' parsed_2k5z 1 40 . . . . . . . . . . . . . . . . -32.09 . . . . APIC 5 . H1' APIC 5 . C1' parsed_2k5z 1 41 . . . . . . . . . . . . . . . . -20.76 . . . . APIC 7 . H1' APIC 7 . C1' parsed_2k5z 1 42 . . . . . . . . . . . . . . . . -11.21 . . . . APIC 12 . H1' APIC 12 . C1' parsed_2k5z 1 43 . . . . . . . . . . . . . . . . -22.74 . . . . APIC 13 . H1' APIC 13 . C1' parsed_2k5z 1 44 . . . . . . . . . . . . . . . . 8.12 . . . . APIC 14 . H1' APIC 14 . C1' parsed_2k5z 1 45 . . . . . . . . . . . . . . . . -26.93 . . . . APIC 19 . H1' APIC 19 . C1' parsed_2k5z 1 46 . . . . . . . . . . . . . . . . -3.6 . . . . APIC 22 . H1' APIC 22 . C1' parsed_2k5z 1 47 . . . . . . . . . . . . . . . . -1.99 . . . . APIC 23 . H1' APIC 23 . C1' parsed_2k5z 1 48 . . . . . . . . . . . . . . . . -28.83 . . . . APIC 27 . H1' APIC 27 . C1' parsed_2k5z 1 49 . . . . . . . . . . . . . . . . -33.03 . . . . APIC 28 . H1' APIC 28 . C1' parsed_2k5z 1 50 . . . . . . . . . . . . . . . . -17.90 . . . . APIC 29 . H1' APIC 29 . C1' parsed_2k5z 1 51 . . . . . . . . . . . . . . . . 18.64 . . . . APIC 2 . H2' APIC 2 . C2' parsed_2k5z 1 52 . . . . . . . . . . . . . . . . 18.70 . . . . APIC 4 . H2' APIC 4 . C2' parsed_2k5z 1 53 . . . . . . . . . . . . . . . . 14.29 . . . . APIC 5 . H2' APIC 5 . C2' parsed_2k5z 1 54 . . . . . . . . . . . . . . . . -4.53 . . . . APIC 7 . H2' APIC 7 . C2' parsed_2k5z 1 55 . . . . . . . . . . . . . . . . 15.30 . . . . APIC 8 . H2' APIC 8 . C2' parsed_2k5z 1 56 . . . . . . . . . . . . . . . . 16.59 . . . . APIC 12 . H2' APIC 12 . C2' parsed_2k5z 1 57 . . . . . . . . . . . . . . . . 8.78 . . . . APIC 14 . H2' APIC 14 . C2' parsed_2k5z 1 58 . . . . . . . . . . . . . . . . 7.47 . . . . APIC 19 . H2' APIC 19 . C2' parsed_2k5z 1 59 . . . . . . . . . . . . . . . . 0.65 . . . . APIC 21 . H2' APIC 21 . C2' parsed_2k5z 1 60 . . . . . . . . . . . . . . . . 9.43 . . . . APIC 22 . H2' APIC 22 . C2' parsed_2k5z 1 61 . . . . . . . . . . . . . . . . -5.88 . . . . APIC 23 . H2' APIC 23 . C2' parsed_2k5z 1 62 . . . . . . . . . . . . . . . . 21.20 . . . . APIC 27 . H2' APIC 27 . C2' parsed_2k5z 1 63 . . . . . . . . . . . . . . . . 11.76 . . . . APIC 28 . H2' APIC 28 . C2' parsed_2k5z 1 64 . . . . . . . . . . . . . . . . 4.79 . . . . APIC 29 . H2' APIC 29 . C2' parsed_2k5z 1 65 . . . . . . . . . . . . . . . . 16.72 . . . . APIC 2 . H3' APIC 2 . C3' parsed_2k5z 1 66 . . . . . . . . . . . . . . . . 11.77 . . . . APIC 4 . H3' APIC 4 . C3' parsed_2k5z 1 67 . . . . . . . . . . . . . . . . 5.95 . . . . APIC 7 . H3' APIC 7 . C3' parsed_2k5z 1 68 . . . . . . . . . . . . . . . . 7.91 . . . . APIC 13 . H3' APIC 13 . C3' parsed_2k5z 1 69 . . . . . . . . . . . . . . . . -16.95 . . . . APIC 14 . H3' APIC 14 . C3' parsed_2k5z 1 70 . . . . . . . . . . . . . . . . 1.35 . . . . APIC 18 . H3' APIC 18 . C3' parsed_2k5z 1 71 . . . . . . . . . . . . . . . . 13.46 . . . . APIC 19 . H3' APIC 19 . C3' parsed_2k5z 1 72 . . . . . . . . . . . . . . . . 8.24 . . . . APIC 21 . H3' APIC 21 . C3' parsed_2k5z 1 73 . . . . . . . . . . . . . . . . 10.36 . . . . APIC 22 . H3' APIC 22 . C3' parsed_2k5z 1 74 . . . . . . . . . . . . . . . . 18.01 . . . . APIC 23 . H3' APIC 23 . C3' parsed_2k5z 1 75 . . . . . . . . . . . . . . . . 13.53 . . . . APIC 27 . H3' APIC 27 . C3' parsed_2k5z 1 76 . . . . . . . . . . . . . . . . 5.77 . . . . APIC 28 . H3' APIC 28 . C3' parsed_2k5z 1 77 . . . . . . . . . . . . . . . . 2.36 . . . . APIC 29 . H3' APIC 29 . C3' parsed_2k5z 1 78 . . . . . . . . . . . . . . . . 23.08 . . . . APIC 2 . H4' APIC 2 . C4' parsed_2k5z 1 79 . . . . . . . . . . . . . . . . 19.75 . . . . APIC 4 . H4' APIC 4 . C4' parsed_2k5z 1 80 . . . . . . . . . . . . . . . . 12.96 . . . . APIC 5 . H4' APIC 5 . C4' parsed_2k5z 1 81 . . . . . . . . . . . . . . . . 20.80 . . . . APIC 8 . H4' APIC 8 . C4' parsed_2k5z 1 82 . . . . . . . . . . . . . . . . 19.14 . . . . APIC 13 . H4' APIC 13 . C4' parsed_2k5z 1 83 . . . . . . . . . . . . . . . . -1.82 . . . . APIC 14 . H4' APIC 14 . C4' parsed_2k5z 1 84 . . . . . . . . . . . . . . . . 26.06 . . . . APIC 19 . H4' APIC 19 . C4' parsed_2k5z 1 85 . . . . . . . . . . . . . . . . 14.38 . . . . APIC 18 . H4' APIC 18 . C4' parsed_2k5z 1 86 . . . . . . . . . . . . . . . . 17.41 . . . . APIC 21 . H4' APIC 21 . C4' parsed_2k5z 1 87 . . . . . . . . . . . . . . . . 24.28 . . . . APIC 23 . H4' APIC 23 . C4' parsed_2k5z 1 88 . . . . . . . . . . . . . . . . 10.48 . . . . APIC 28 . H4' APIC 28 . C4' parsed_2k5z 1 89 . . . . . . . . . . . . . . . . 10.82 . . . . APIC 29 . H4' APIC 29 . C4' parsed_2k5z 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 C2H2 1 1 1 6 parsed_2k5z 1 2 C8H8 17 1 17 6 parsed_2k5z 1 3 C5H5 78 1 78 6 parsed_2k5z 1 4 ; assign (segid SANI and resid 500 and name 00) (segid SANI and resid 500 and name Z) (segid SANI and resid 500 and name X) (segid SANI and resid 500 and name Y) (segid APIC and resid 15 and name C5 ) (segid APIC and resid 15 and name H5 ) 8.01 2.0 assign (segid SANI and resid 500 and name 00) (segid SANI and resid 500 and name Z) (segid SANI and resid 500 and name X) (segid SANI and resid 500 and name Y) (segid APIC and resid 16 and name C5 ) (segid APIC and resid 16 and name H5 ) -1.75 2.0 ; 119 1 128 103 parsed_2k5z 1 5 C6H6 159 1 159 6 parsed_2k5z 1 6 ; assign (segid SANI and resid 500 and name 00) (segid SANI and resid 500 and name Z) (segid SANI and resid 500 and name X) (segid SANI and resid 500 and name Y) (segid APIC and resid 15 and name H6 ) (segid APIC and resid 15 and name C6 ) 14.14 5.0 assign (segid SANI and resid 500 and name 00) (segid SANI and resid 500 and name Z) (segid SANI and resid 500 and name X) (segid SANI and resid 500 and name Y) (segid APIC and resid 16 and name H6 ) (segid APIC and resid 16 and name C6 ) 6.83 5.0 ; 185 1 194 102 parsed_2k5z 1 7 C1'H1' 210 1 210 8 parsed_2k5z 1 8 ; assign (segid SANI and resid 500 and name 00) (segid SANI and resid 500 and name Z) (segid SANI and resid 500 and name X) (segid SANI and resid 500 and name Y) (segid APIC and resid 15 and name H1' ) (segid APIC and resid 15 and name C1' ) 4.89 5.0 assign (segid SANI and resid 500 and name 00) (segid SANI and resid 500 and name Z) (segid SANI and resid 500 and name X) (segid SANI and resid 500 and name Y) (segid APIC and resid 16 and name H1' ) (segid APIC and resid 16 and name C1' ) -6.59 5.0 ; 246 1 255 105 parsed_2k5z 1 9 C2'H2' 286 1 286 8 parsed_2k5z 1 10 ; assign (segid SANI and resid 500 and name 00) (segid SANI and resid 500 and name Z) (segid SANI and resid 500 and name X) (segid SANI and resid 500 and name Y) (segid APIC and resid 16 and name H2' ) (segid APIC and resid 16 and name C2' ) -6.17 5.0 ; 322 1 326 105 parsed_2k5z 1 11 C3'H3' 362 1 362 8 parsed_2k5z 1 12 ; assign (segid SANI and resid 500 and name 00) (segid SANI and resid 500 and name Z) (segid SANI and resid 500 and name X) (segid SANI and resid 500 and name Y) (segid APIC and resid 15 and name H3' ) (segid APIC and resid 15 and name C3' ) 6.13 5.0 assign (segid SANI and resid 500 and name 00) (segid SANI and resid 500 and name Z) (segid SANI and resid 500 and name X) (segid SANI and resid 500 and name Y) (segid APIC and resid 16 and name H3' ) (segid APIC and resid 16 and name C3' ) 5.47 5.0 ; 388 1 397 104 parsed_2k5z 1 13 C4'H4' 438 1 438 8 parsed_2k5z 1 14 ; assign (segid SANI and resid 500 and name 00) (segid SANI and resid 500 and name Z) (segid SANI and resid 500 and name X) (segid SANI and resid 500 and name Y) (segid APIC and resid 15 and name H4' ) (segid APIC and resid 15 and name C4' ) 0.60 5.0 assign (segid SANI and resid 500 and name 00) (segid SANI and resid 500 and name Z) (segid SANI and resid 500 and name X) (segid SANI and resid 500 and name Y) (segid APIC and resid 16 and name H4' ) (segid APIC and resid 16 and name C4' ) 9.67 5.0 ; 469 1 478 103 parsed_2k5z 1 stop_ save_
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