NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
36444 | 1nk2 | 4141 | cing | 2-parsed | STAR | dihedral angle | 53 |
data_1nk2_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1nk2 _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_1nk2 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1nk2 _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 1nk2 "Master copy" parsed_1nk2 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1nk2 _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 1nk2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1nk2 1 1 1nk2.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 parsed_1nk2 1 1 1nk2.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 parsed_1nk2 1 1 1nk2.mr . . DISCOVER 4 distance "hydrogen bond" simple 129 parsed_1nk2 1 1 1nk2.mr . . DISCOVER 5 distance NOE simple 5584 parsed_1nk2 1 1 1nk2.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1nk2 1 1 1nk2.mr . . DISCOVER 7 "dihedral angle" "Not applicable" "Not applicable" 53 parsed_1nk2 1 1 1nk2.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nk2 1 stop_ save_ save_Discover_dihedral_7 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1nk2 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 7 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146.3 -146.3 . 1 114 VAL HA 1 114 VAL CA 1 114 VAL N 1 114 VAL HN parsed_1nk2 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.7 -128.0 . 1 115 LEU HA 1 115 LEU CA 1 115 LEU N 1 115 LEU HN parsed_1nk2 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.4 -138.7 . 1 116 PHE HA 1 116 PHE CA 1 116 PHE N 1 116 PHE HN parsed_1nk2 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.4 -135.6 . 1 117 THR HA 1 117 THR CA 1 117 THR N 1 117 THR HN parsed_1nk2 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.5 -107.7 . 1 118 LYS+ HA 1 118 LYS+ CA 1 118 LYS+ N 1 118 LYS+ HN parsed_1nk2 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.9 -104.7 . 1 119 ALA HA 1 119 ALA CA 1 119 ALA N 1 119 ALA HN parsed_1nk2 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -98.9 . 1 121 THR HA 1 121 THR CA 1 121 THR N 1 121 THR HN parsed_1nk2 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.6 -101.4 . 1 122 TYR HA 1 122 TYR CA 1 122 TYR N 1 122 TYR HN parsed_1nk2 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.7 -113.1 . 1 123 GLU- HA 1 123 GLU- CA 1 123 GLU- N 1 123 GLU- HN parsed_1nk2 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.5 -110.5 . 1 124 LEU HA 1 124 LEU CA 1 124 LEU N 1 124 LEU HN parsed_1nk2 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.2 -97.6 . 1 125 GLU- HA 1 125 GLU- CA 1 125 GLU- N 1 125 GLU- HN parsed_1nk2 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -98.9 . 1 126 ARG+ HA 1 126 ARG+ CA 1 126 ARG+ N 1 126 ARG+ HN parsed_1nk2 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.9 -122.7 . 1 127 ARG+ HA 1 127 ARG+ CA 1 127 ARG+ N 1 127 ARG+ HN parsed_1nk2 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.7 -113.1 . 1 128 PHE HA 1 128 PHE CA 1 128 PHE N 1 128 PHE HN parsed_1nk2 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.5 -106.7 . 1 129 ARG+ HA 1 129 ARG+ CA 1 129 ARG+ N 1 129 ARG+ HN parsed_1nk2 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146.3 -146.3 . 1 130 GLN HA 1 130 GLN CA 1 130 GLN N 1 130 GLN HN parsed_1nk2 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.0 157.3 . 1 131 GLN HA 1 131 GLN CA 1 131 GLN N 1 131 GLN HN parsed_1nk2 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.6 -120.4 . 1 132 ARG+ HA 1 132 ARG+ CA 1 132 ARG+ N 1 132 ARG+ HN parsed_1nk2 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.4 145.6 . 1 133 TYR HA 1 133 TYR CA 1 133 TYR N 1 133 TYR HN parsed_1nk2 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.4 -145.4 . 1 134 LEU HA 1 134 LEU CA 1 134 LEU N 1 134 LEU HN parsed_1nk2 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.4 -145.4 . 1 135 SER HA 1 135 SER CA 1 135 SER N 1 135 SER HN parsed_1nk2 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.2 -114.8 . 1 136 ALA HA 1 136 ALA CA 1 136 ALA N 1 136 ALA HN parsed_1nk2 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.3 -121.2 . 1 138 GLU- HA 1 138 GLU- CA 1 138 GLU- N 1 138 GLU- HN parsed_1nk2 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.6 -120.4 . 1 139 ARG+ HA 1 139 ARG+ CA 1 139 ARG+ N 1 139 ARG+ HN parsed_1nk2 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 -98.9 . 1 140 GLU- HA 1 140 GLU- CA 1 140 GLU- N 1 140 GLU- HN parsed_1nk2 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.5 -107.7 . 1 141 HIS+ HA 1 141 HIS+ CA 1 141 HIS+ N 1 141 HIS+ HN parsed_1nk2 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.5 -110.5 . 1 142 LEU HA 1 142 LEU CA 1 142 LEU N 1 142 LEU HN parsed_1nk2 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.2 -103.6 . 1 143 ALA HA 1 143 ALA CA 1 143 ALA N 1 143 ALA HN parsed_1nk2 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.5 -106.7 . 1 144 SER HA 1 144 SER CA 1 144 SER N 1 144 SER HN parsed_1nk2 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.2 -114.8 . 1 145 LEU HA 1 145 LEU CA 1 145 LEU N 1 145 LEU HN parsed_1nk2 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 152.3 -152.3 . 1 146 ILE HA 1 146 ILE CA 1 146 ILE N 1 146 ILE HN parsed_1nk2 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14.9 47.3 . 1 147 ARG+ HA 1 147 ARG+ CA 1 147 ARG+ N 1 147 ARG+ HN parsed_1nk2 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.0 -137.9 . 1 148 LEU HA 1 148 LEU CA 1 148 LEU N 1 148 LEU HN parsed_1nk2 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.3 -125.0 . 1 149 THR HA 1 149 THR CA 1 149 THR N 1 149 THR HN parsed_1nk2 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.2 -114.8 . 1 151 THR HA 1 151 THR CA 1 151 THR N 1 151 THR HN parsed_1nk2 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.5 -106.7 . 1 153 VAL HA 1 153 VAL CA 1 153 VAL N 1 153 VAL HN parsed_1nk2 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.2 -103.6 . 1 154 LYS+ HA 1 154 LYS+ CA 1 154 LYS+ N 1 154 LYS+ HN parsed_1nk2 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -115.6 . 1 155 ILE HA 1 155 ILE CA 1 155 ILE N 1 155 ILE HN parsed_1nk2 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.3 -118.0 . 1 156 TRP HA 1 156 TRP CA 1 156 TRP N 1 156 TRP HN parsed_1nk2 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.8 -119.6 . 1 157 PHE HA 1 157 PHE CA 1 157 PHE N 1 157 PHE HN parsed_1nk2 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.7 -88.4 . 1 158 GLN HA 1 158 GLN CA 1 158 GLN N 1 158 GLN HN parsed_1nk2 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.2 -107.7 . 1 159 ASN HA 1 159 ASN CA 1 159 ASN N 1 159 ASN HN parsed_1nk2 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.3 -125.0 . 1 160 HIS+ HA 1 160 HIS+ CA 1 160 HIS+ N 1 160 HIS+ HN parsed_1nk2 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -85.0 . 1 161 ARG+ HA 1 161 ARG+ CA 1 161 ARG+ N 1 161 ARG+ HN parsed_1nk2 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -112.3 . 1 162 TYR HA 1 162 TYR CA 1 162 TYR N 1 162 TYR HN parsed_1nk2 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.5 -106.7 . 1 163 LYS+ HA 1 163 LYS+ CA 1 163 LYS+ N 1 163 LYS+ HN parsed_1nk2 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.5 -124.2 . 1 164 THR HA 1 164 THR CA 1 164 THR N 1 164 THR HN parsed_1nk2 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.5 -106.7 . 1 165 LYS+ HA 1 165 LYS+ CA 1 165 LYS+ N 1 165 LYS+ HN parsed_1nk2 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.7 -113.1 . 1 166 ARG+ HA 1 166 ARG+ CA 1 166 ARG+ N 1 166 ARG+ HN parsed_1nk2 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -116.4 . 1 167 ALA HA 1 167 ALA CA 1 167 ALA N 1 167 ALA HN parsed_1nk2 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.1 -125.7 . 1 168 GLN HA 1 168 GLN CA 1 168 GLN N 1 168 GLN HN parsed_1nk2 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.3 -125.0 . 1 169 ASN HA 1 169 ASN CA 1 169 ASN N 1 169 ASN HN parsed_1nk2 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.7 -128.0 . 1 170 GLU- HA 1 170 GLU- CA 1 170 GLU- N 1 170 GLU- HN parsed_1nk2 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 3J_dihedral 1 1 1 12 parsed_1nk2 1 2 "A=6.700, B=-1.300, C=1.500" 2 124 2 150 parsed_1nk2 1 3 "A=6.700, B=-1.300, C=1.500" 3 124 3 150 parsed_1nk2 1 4 "A=6.700, B=-1.300, C=1.500" 4 124 4 150 parsed_1nk2 1 5 "A=6.700, B=-1.300, C=1.500" 5 124 5 150 parsed_1nk2 1 6 "A=6.700, B=-1.300, C=1.500" 6 124 6 150 parsed_1nk2 1 7 "A=6.700, B=-1.300, C=1.500" 7 124 7 150 parsed_1nk2 1 8 "A=6.700, B=-1.300, C=1.500" 8 124 8 150 parsed_1nk2 1 9 "A=6.700, B=-1.300, C=1.500" 9 124 9 150 parsed_1nk2 1 10 "A=6.700, B=-1.300, C=1.500" 10 124 10 150 parsed_1nk2 1 11 "A=6.700, B=-1.300, C=1.500" 11 124 11 150 parsed_1nk2 1 12 "A=6.700, B=-1.300, C=1.500" 12 124 12 150 parsed_1nk2 1 13 "A=6.700, B=-1.300, C=1.500" 13 124 13 150 parsed_1nk2 1 14 "A=6.700, B=-1.300, C=1.500" 14 124 14 150 parsed_1nk2 1 15 "A=6.700, B=-1.300, C=1.500" 15 124 15 150 parsed_1nk2 1 16 "A=6.700, B=-1.300, C=1.500" 16 124 16 150 parsed_1nk2 1 17 "A=6.700, B=-1.300, C=1.500" 17 124 17 150 parsed_1nk2 1 18 "A=6.700, B=-1.300, C=1.500" 18 124 18 150 parsed_1nk2 1 19 "A=6.700, B=-1.300, C=1.500" 19 124 19 150 parsed_1nk2 1 20 "A=6.700, B=-1.300, C=1.500" 20 124 20 150 parsed_1nk2 1 21 "A=6.700, B=-1.300, C=1.500" 21 124 21 150 parsed_1nk2 1 22 "A=6.700, B=-1.300, C=1.500" 22 124 22 150 parsed_1nk2 1 23 "A=6.700, B=-1.300, C=1.500" 23 124 23 150 parsed_1nk2 1 24 "A=6.700, B=-1.300, C=1.500" 24 124 24 150 parsed_1nk2 1 25 "A=6.700, B=-1.300, C=1.500" 25 124 25 150 parsed_1nk2 1 26 "A=6.700, B=-1.300, C=1.500" 26 124 26 150 parsed_1nk2 1 27 "A=6.700, B=-1.300, C=1.500" 27 124 27 150 parsed_1nk2 1 28 "A=6.700, B=-1.300, C=1.500" 28 124 28 150 parsed_1nk2 1 29 "A=6.700, B=-1.300, C=1.500" 29 124 29 150 parsed_1nk2 1 30 "A=6.700, B=-1.300, C=1.500" 30 124 30 150 parsed_1nk2 1 31 "A=6.700, B=-1.300, C=1.500" 31 124 31 150 parsed_1nk2 1 32 "A=6.700, B=-1.300, C=1.500" 32 124 32 150 parsed_1nk2 1 33 "A=6.700, B=-1.300, C=1.500" 33 124 33 150 parsed_1nk2 1 34 "A=6.700, B=-1.300, C=1.500" 34 124 34 150 parsed_1nk2 1 35 "A=6.700, B=-1.300, C=1.500" 35 124 35 150 parsed_1nk2 1 36 "A=6.700, B=-1.300, C=1.500" 36 124 36 150 parsed_1nk2 1 37 "A=6.700, B=-1.300, C=1.500" 37 124 37 150 parsed_1nk2 1 38 "A=6.700, B=-1.300, C=1.500" 38 124 38 150 parsed_1nk2 1 39 "A=6.700, B=-1.300, C=1.500" 39 124 39 150 parsed_1nk2 1 40 "A=6.700, B=-1.300, C=1.500" 40 124 40 150 parsed_1nk2 1 41 "A=6.700, B=-1.300, C=1.500" 41 124 41 150 parsed_1nk2 1 42 "A=6.700, B=-1.300, C=1.500" 42 124 42 150 parsed_1nk2 1 43 "A=6.700, B=-1.300, C=1.500" 43 124 43 150 parsed_1nk2 1 44 "A=6.700, B=-1.300, C=1.500" 44 124 44 150 parsed_1nk2 1 45 "A=6.700, B=-1.300, C=1.500" 45 124 45 150 parsed_1nk2 1 46 "A=6.700, B=-1.300, C=1.500" 46 124 46 150 parsed_1nk2 1 47 "A=6.700, B=-1.300, C=1.500" 47 124 47 150 parsed_1nk2 1 48 "A=6.700, B=-1.300, C=1.500" 48 124 48 150 parsed_1nk2 1 49 "A=6.700, B=-1.300, C=1.500" 49 124 49 150 parsed_1nk2 1 50 "A=6.700, B=-1.300, C=1.500" 50 124 50 150 parsed_1nk2 1 51 "A=6.700, B=-1.300, C=1.500" 51 124 51 150 parsed_1nk2 1 52 "A=6.700, B=-1.300, C=1.500" 52 124 52 150 parsed_1nk2 1 53 "A=6.700, B=-1.300, C=1.500" 53 124 53 150 parsed_1nk2 1 stop_ save_
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