NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
281713 | 2kht | 16254 | cing | 2-parsed | STAR | dihedral angle | 52 |
data_2kht_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2kht _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_2kht 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2kht _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 2kht "Master copy" parsed_2kht stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2kht _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 2kht.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kht 1 1 2kht.mr . . XPLOR/CNS 2 distance "disulfide bond" simple 3 parsed_2kht 1 1 2kht.mr . . XPLOR/CNS 3 distance "general distance" simple 129 parsed_2kht 1 1 2kht.mr . . XPLOR/CNS 4 distance "general distance" ambi 141 parsed_2kht 1 1 2kht.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 52 parsed_2kht 1 1 2kht.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kht 1 stop_ save_ save_CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2kht _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 -101.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_2kht 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.2 -93.2 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2kht 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.7 -89.7 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2kht 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.9 -101.9 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2kht 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -105.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2kht 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -218.9 -51.1 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2kht 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.1 -111.1 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2kht 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -199.7 -54.5 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2kht 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.4 -70.4 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2kht 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.8 -41.8 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2kht 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53.2 113.2 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2kht 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.1 -102.1 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2kht 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -104.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2kht 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -69.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2kht 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.2 -86.2 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2kht 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -205.8 -35.4 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2kht 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.5 -79.5 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2kht 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.6 -101.6 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2kht 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.8 -68.8 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2kht 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -186.7 -32.1 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2kht 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.8 80.8 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2kht 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 49.3 109.3 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2kht 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.2 -93.2 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2kht 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.6 -77.6 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2kht 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -76.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2kht 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.8 -59.8 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2kht 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -81.7 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2kht 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.1 -96.1 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2kht 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.9 184.9 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_2kht 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.1 188.5 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2kht 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.7 172.7 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2kht 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.6 171.6 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2kht 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.7 177.7 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2kht 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.6 324.4 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2kht 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.7 192.5 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2kht 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.3 182.3 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2kht 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.2 177.2 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2kht 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.2 154.2 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2kht 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 323.2 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2kht 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.1 314.9 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2kht 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.8 163.8 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2kht 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.1 179.1 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2kht 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.5 157.5 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2kht 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.6 146.6 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2kht 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13.0 73.0 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2kht 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.7 33.3 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2kht 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.4 181.4 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2kht 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.4 161.4 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2kht 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.2 169.2 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2kht 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.9 155.9 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2kht 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.7 164.7 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2kht 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.4 184.4 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2kht 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 ; ! ! Phi restraints: minimum deviation = 30 degrees ! 2 ; 2 1 5 10 parsed_2kht 1 2 "! 3" 8 3 8 11 parsed_2kht 1 3 "! 4" 11 3 11 11 parsed_2kht 1 4 "! 5" 14 3 14 11 parsed_2kht 1 5 "! 6" 17 3 17 11 parsed_2kht 1 6 "! 7" 20 3 20 11 parsed_2kht 1 7 "! 8" 23 3 23 11 parsed_2kht 1 8 "! 9" 26 3 26 10 parsed_2kht 1 9 "! 10" 29 3 29 12 parsed_2kht 1 10 "! 11" 32 3 32 12 parsed_2kht 1 11 "! 12" 35 3 35 12 parsed_2kht 1 12 "! 13" 38 3 38 12 parsed_2kht 1 13 "! 14" 41 3 41 11 parsed_2kht 1 14 "! 15" 44 3 44 11 parsed_2kht 1 15 "! 16" 47 3 47 11 parsed_2kht 1 16 "! 17" 50 3 50 12 parsed_2kht 1 17 "! 18" 53 3 53 11 parsed_2kht 1 18 "! 19" 56 3 56 12 parsed_2kht 1 19 "! 20" 59 3 59 12 parsed_2kht 1 20 "! 21" 62 3 62 12 parsed_2kht 1 21 "! 22" 65 3 65 11 parsed_2kht 1 22 "! 23" 68 3 68 11 parsed_2kht 1 23 "! 24" 71 3 71 12 parsed_2kht 1 24 "! 25" 74 3 74 12 parsed_2kht 1 25 "! 26" 77 3 77 12 parsed_2kht 1 26 "! 27" 80 3 80 12 parsed_2kht 1 27 "! 28" 83 3 83 12 parsed_2kht 1 28 "! 29" 86 3 86 11 parsed_2kht 1 29 ; !psi restraints !2 ; 91 1 92 4 parsed_2kht 1 30 !3 95 1 95 4 parsed_2kht 1 31 !4 98 1 98 4 parsed_2kht 1 32 !5 101 1 101 4 parsed_2kht 1 33 !6 104 1 104 4 parsed_2kht 1 34 !7 107 1 107 4 parsed_2kht 1 35 !8 110 1 110 4 parsed_2kht 1 36 ; !9 assign (resid 9 and name n) (resid 9 and name ca) (resid 9 and name c) (resid 10 and name n) 1.0 150.2 30 2 !10 assign (resid 10 and name n) (resid 10 and name ca) (resid 10 and name c) (resid 11 and name n) 1.0 158.9 40 2 !11 assign (resid 11 and name n) (resid 11 and name ca) (resid 11 and name c) (resid 12 and name n) 1.0 147.0 30 2 !12 assign (resid 12 and name n) (resid 12 and name ca) (resid 12 and name c) (resid 13 and name n) 1.0 22.6 30 2 !13 ; 113 1 125 5 parsed_2kht 1 37 !14 128 1 128 5 parsed_2kht 1 38 !15 131 1 131 5 parsed_2kht 1 39 !16 134 1 134 5 parsed_2kht 1 40 !17 137 1 137 5 parsed_2kht 1 41 !18 140 1 140 5 parsed_2kht 1 42 !19 143 1 143 5 parsed_2kht 1 43 !20 146 1 146 5 parsed_2kht 1 44 !21 149 1 149 5 parsed_2kht 1 45 !22 152 1 152 5 parsed_2kht 1 46 !23 155 1 155 5 parsed_2kht 1 47 !24 158 1 158 5 parsed_2kht 1 48 !25 161 1 161 5 parsed_2kht 1 49 !26 164 1 164 5 parsed_2kht 1 50 !27 167 1 167 5 parsed_2kht 1 51 !28 170 1 170 5 parsed_2kht 1 52 !29 173 1 173 5 parsed_2kht 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 "#HNP1_dih_080809.tbl" 1 1 1 20 parsed_2kht 1 stop_ save_
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