NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
492518 | 2kh4 | 16223 | cing | 2-parsed | STAR | entry | full | 83 |
data_2kh4_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2kh4 _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_2kh4 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2kh4 _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 2kh4 "Master copy" parsed_2kh4 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2kh4 _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 2kh4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kh4 1 1 2kh4.mr . . AMBER 2 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_2kh4 1 1 2kh4.mr . . AMBER 3 distance NOE simple 57 parsed_2kh4 1 1 2kh4.mr . . PDB 4 coordinate ensemble "Not applicable" 0 parsed_2kh4 1 1 2kh4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kh4 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2kh4 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER DNA 24-MAR-09 2KH4 *TITLE AFLATOXIN FORMAMIDOPYRIMIDINE ALPHA ANOMER IN SINGLE STRAND *TITLE 2 DNA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-D(*CP*TP*(FAG)P*A)-3'; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS AFLATOXIN, FORMAMIDOPYRIMIDINE, ALPHA ANOMER, DNA *EXPDTA SOLUTION NMR *NUMMDL 8 *AUTHOR K.L.BROWN *REVDAT 1 15-DEC-09 2KH4 0 ; save_ save_AMBER_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2kh4 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -10.0 . 2kh4_ambr001 1 DC O3' 2kh4_ambr001 2 DT P 2kh4_ambr001 2 DT O5' 2kh4_ambr001 2 DT C5' parsed_2kh4 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -10.0 . 2kh4_ambr001 3 FAG O3' 2kh4_ambr001 4 DA P 2kh4_ambr001 4 DA O5' 2kh4_ambr001 4 DA C5' parsed_2kh4 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 280.0 . 2kh4_ambr001 4 DA P 2kh4_ambr001 4 DA O5' 2kh4_ambr001 4 DA C5' 2kh4_ambr001 4 DA C4' parsed_2kh4 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 140.0 . 2kh4_ambr001 1 DC O5' 2kh4_ambr001 1 DC C5' 2kh4_ambr001 1 DC C4' 2kh4_ambr001 1 DC C3' parsed_2kh4 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 140.0 . 2kh4_ambr001 3 FAG O5' 2kh4_ambr001 3 FAG C5' 2kh4_ambr001 3 FAG C4' 2kh4_ambr001 3 FAG C3' parsed_2kh4 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 140.0 . 2kh4_ambr001 4 DA O5' 2kh4_ambr001 4 DA C5' 2kh4_ambr001 4 DA C4' 2kh4_ambr001 4 DA C3' parsed_2kh4 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 30.0 . 2kh4_ambr001 1 DC C4' 2kh4_ambr001 1 DC C3' 2kh4_ambr001 1 DC O3' 2kh4_ambr001 2 DT P parsed_2kh4 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 330.0 . 2kh4_ambr001 1 DC C3' 2kh4_ambr001 1 DC O3' 2kh4_ambr001 2 DT P 2kh4_ambr001 2 DT O5' parsed_2kh4 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 340.0 . 2kh4_ambr001 1 DC O4' 2kh4_ambr001 1 DC C1' 2kh4_ambr001 1 DC N1 2kh4_ambr001 1 DC C2 parsed_2kh4 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 340.0 . 2kh4_ambr001 2 DT O4' 2kh4_ambr001 2 DT C1' 2kh4_ambr001 2 DT N1 2kh4_ambr001 2 DT C2 parsed_2kh4 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 340.0 . 2kh4_ambr001 4 DA O4' 2kh4_ambr001 4 DA C1' 2kh4_ambr001 4 DA N9 2kh4_ambr001 4 DA C4 parsed_2kh4 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 17.5 . 2kh4_ambr001 1 DC C4' 2kh4_ambr001 1 DC O4' 2kh4_ambr001 1 DC C1' 2kh4_ambr001 1 DC C2' parsed_2kh4 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.7 38.5 . 2kh4_ambr001 1 DC O4' 2kh4_ambr001 1 DC C1' 2kh4_ambr001 1 DC C2' 2kh4_ambr001 1 DC C3' parsed_2kh4 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 37.9 . 2kh4_ambr001 1 DC C1' 2kh4_ambr001 1 DC C2' 2kh4_ambr001 1 DC C3' 2kh4_ambr001 1 DC C4' parsed_2kh4 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 38.5 . 2kh4_ambr001 1 DC C2' 2kh4_ambr001 1 DC C3' 2kh4_ambr001 1 DC C4' 2kh4_ambr001 1 DC O4' parsed_2kh4 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.3 38.5 . 2kh4_ambr001 1 DC C3' 2kh4_ambr001 1 DC C4' 2kh4_ambr001 1 DC O4' 2kh4_ambr001 1 DC C1' parsed_2kh4 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.7 8.0 . 2kh4_ambr001 3 FAG C4' 2kh4_ambr001 3 FAG O4' 2kh4_ambr001 3 FAG C1' 2kh4_ambr001 3 FAG C2' parsed_2kh4 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 41.4 . 2kh4_ambr001 3 FAG O4' 2kh4_ambr001 3 FAG C1' 2kh4_ambr001 3 FAG C2' 2kh4_ambr001 3 FAG C3' parsed_2kh4 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.9 -20.9 . 2kh4_ambr001 3 FAG C1' 2kh4_ambr001 3 FAG C2' 2kh4_ambr001 3 FAG C3' 2kh4_ambr001 3 FAG C4' parsed_2kh4 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14.9 44.9 . 2kh4_ambr001 3 FAG C2' 2kh4_ambr001 3 FAG C3' 2kh4_ambr001 3 FAG C4' 2kh4_ambr001 3 FAG O4' parsed_2kh4 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.6 1.4 . 2kh4_ambr001 3 FAG C3' 2kh4_ambr001 3 FAG C4' 2kh4_ambr001 3 FAG O4' 2kh4_ambr001 3 FAG C1' parsed_2kh4 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.7 8.0 . 2kh4_ambr001 4 DA C4' 2kh4_ambr001 4 DA O4' 2kh4_ambr001 4 DA C1' 2kh4_ambr001 4 DA C2' parsed_2kh4 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.4 41.4 . 2kh4_ambr001 4 DA O4' 2kh4_ambr001 4 DA C1' 2kh4_ambr001 4 DA C2' 2kh4_ambr001 4 DA C3' parsed_2kh4 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.9 -20.9 . 2kh4_ambr001 4 DA C1' 2kh4_ambr001 4 DA C2' 2kh4_ambr001 4 DA C3' 2kh4_ambr001 4 DA C4' parsed_2kh4 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14.9 44.9 . 2kh4_ambr001 4 DA C2' 2kh4_ambr001 4 DA C3' 2kh4_ambr001 4 DA C4' 2kh4_ambr001 4 DA O4' parsed_2kh4 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.6 1.4 . 2kh4_ambr001 4 DA C3' 2kh4_ambr001 4 DA C4' 2kh4_ambr001 4 DA O4' 2kh4_ambr001 4 DA C1' parsed_2kh4 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 "2 THY ALPHA: (1 DC5 O3')-(2 DT P)-(2 DT O5')-(2 DT C5') -120.0 -10.0" 1 1 1 72 parsed_2kh4 1 2 "4 ADE ALPHA: (3 FAG O3')-(4 DA3 P)-(4 DA3 O5')-(4 DA3 C5') -120.0 -10.0" 6 1 6 75 parsed_2kh4 1 3 "4 ADE BETA: (4 DA3 P)-(4 DA3 O5')-(4 DA3 C5')-(4 DA3 C4') 50.0 280.0" 11 1 11 73 parsed_2kh4 1 4 "1 CYT GAMMA: (1 DC5 O5')-(1 DC5 C5')-(1 DC5 C4')-(1 DC5 C3') -20.0 140.0" 16 1 16 76 parsed_2kh4 1 5 "3 GUA GAMMA: (3 FAG O5')-(3 FAG C5')-(3 FAG C4')-(3 FAG C3') -20.0 140.0" 21 1 21 76 parsed_2kh4 1 6 "4 ADE GAMMA: (4 DA3 O5')-(4 DA3 C5')-(4 DA3 C4')-(4 DA3 C3') -20.0 140.0" 26 1 26 76 parsed_2kh4 1 7 "1 CYT EPSILN: (1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3')-(2 DT P) -210.0 30.0" 31 1 31 75 parsed_2kh4 1 8 "1 CYT ZETA: (1 DC5 C3')-(1 DC5 O3')-(2 DT P)-(2 DT O5') 150.0 330.0" 36 1 36 71 parsed_2kh4 1 9 "1 CYT CHI: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 N1)-(1 DC5 C2) 180.0 340.0" 41 1 41 72 parsed_2kh4 1 10 "2 THY CHI: (2 DT O4')-(2 DT C1')-(2 DT N1)-(2 DT C2) 180.0 340.0" 46 1 46 68 parsed_2kh4 1 11 "4 ADE CHI: (4 DA3 O4')-(4 DA3 C1')-(4 DA3 N9)-(4 DA3 C4) 180.0 340.0" 51 1 51 72 parsed_2kh4 1 12 "1 CYT NU0: (1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2') -38.5 17.5" 56 1 56 74 parsed_2kh4 1 13 "1 CYT NU1: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3') -26.7 38.5" 61 1 61 74 parsed_2kh4 1 14 "1 CYT NU2: (1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4') -38.5 37.9" 66 1 66 74 parsed_2kh4 1 15 "1 CYT NU3: (1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4') -38.5 38.5" 71 1 71 74 parsed_2kh4 1 16 "1 CYT NU4: (1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1') -34.3 38.5" 76 1 76 74 parsed_2kh4 1 17 "3 GUA NU0: (3 FAG C4')-(3 FAG O4')-(3 FAG C1')-(3 FAG C2') -23.7 8.0" 81 1 81 74 parsed_2kh4 1 18 "3 GUA NU1: (3 FAG O4')-(3 FAG C1')-(3 FAG C2')-(3 FAG C3') 11.4 41.4" 86 1 86 74 parsed_2kh4 1 19 "3 GUA NU2: (3 FAG C1')-(3 FAG C2')-(3 FAG C3')-(3 FAG C4') -50.9 -20.9" 91 1 91 74 parsed_2kh4 1 20 "3 GUA NU3: (3 FAG C2')-(3 FAG C3')-(3 FAG C4')-(3 FAG O4') 14.9 44.9" 96 1 96 74 parsed_2kh4 1 21 "3 GUA NU4: (3 FAG C3')-(3 FAG C4')-(3 FAG O4')-(3 FAG C1') -28.6 1.4" 101 1 101 74 parsed_2kh4 1 22 "4 ADE NU0: (4 DA3 C4')-(4 DA3 O4')-(4 DA3 C1')-(4 DA3 C2') -23.7 8.0" 106 1 106 74 parsed_2kh4 1 23 "4 ADE NU1: (4 DA3 O4')-(4 DA3 C1')-(4 DA3 C2')-(4 DA3 C3') 11.4 41.4" 111 1 111 74 parsed_2kh4 1 24 "4 ADE NU2: (4 DA3 C1')-(4 DA3 C2')-(4 DA3 C3')-(4 DA3 C4') -50.9 -20.9" 116 1 116 74 parsed_2kh4 1 25 "4 ADE NU3: (4 DA3 C2')-(4 DA3 C3')-(4 DA3 C4')-(4 DA3 O4') 14.9 44.9" 121 1 121 74 parsed_2kh4 1 26 "4 ADE NU4: (4 DA3 C3')-(4 DA3 C4')-(4 DA3 O4')-(4 DA3 C1') -28.6 1.4" 126 1 126 74 parsed_2kh4 1 stop_ save_ save_AMBER_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2kh4 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2kh4 1 2 1 . . . parsed_2kh4 1 3 1 . . . parsed_2kh4 1 4 1 . . . parsed_2kh4 1 5 1 . . . parsed_2kh4 1 6 1 . . . parsed_2kh4 1 7 1 . . . parsed_2kh4 1 8 1 . . . parsed_2kh4 1 9 1 . . . parsed_2kh4 1 10 1 . . . parsed_2kh4 1 11 1 . . . parsed_2kh4 1 12 1 . . . parsed_2kh4 1 13 1 . . . parsed_2kh4 1 14 1 . . . parsed_2kh4 1 15 1 . . . parsed_2kh4 1 16 1 . . . parsed_2kh4 1 17 1 . . . parsed_2kh4 1 18 1 . . . parsed_2kh4 1 19 1 . . . parsed_2kh4 1 20 1 . . . parsed_2kh4 1 21 1 . . . parsed_2kh4 1 22 1 . . . parsed_2kh4 1 23 1 . . . parsed_2kh4 1 24 1 . . . parsed_2kh4 1 25 1 . . . parsed_2kh4 1 26 1 . . . parsed_2kh4 1 27 1 . . . parsed_2kh4 1 28 1 . . . parsed_2kh4 1 29 1 . . . parsed_2kh4 1 30 1 . . . parsed_2kh4 1 31 1 . . . parsed_2kh4 1 32 1 . . . parsed_2kh4 1 33 1 . . . parsed_2kh4 1 34 1 . . . parsed_2kh4 1 35 1 . . . parsed_2kh4 1 36 1 . . . parsed_2kh4 1 37 1 . . . parsed_2kh4 1 38 1 . . . parsed_2kh4 1 39 1 . . . parsed_2kh4 1 40 1 . . . parsed_2kh4 1 41 1 . . . parsed_2kh4 1 42 1 . . . parsed_2kh4 1 43 1 . . . parsed_2kh4 1 44 1 . . . parsed_2kh4 1 45 1 . . . parsed_2kh4 1 46 1 . . . parsed_2kh4 1 47 1 . . . parsed_2kh4 1 48 1 . . . parsed_2kh4 1 49 1 . . . parsed_2kh4 1 50 1 . . . parsed_2kh4 1 51 1 . . . parsed_2kh4 1 52 1 . . . parsed_2kh4 1 53 1 . . . parsed_2kh4 1 54 1 . . . parsed_2kh4 1 55 1 . . . parsed_2kh4 1 56 1 . . . parsed_2kh4 1 57 1 . . . parsed_2kh4 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . 2kh4_ambr001 2 DT H1' parsed_2kh4 1 1 1 2 . . . . . . . . 2kh4_ambr001 5 FAG HM1 parsed_2kh4 1 1 1 2 . . . . . . . . 2kh4_ambr001 5 FAG HM2 parsed_2kh4 1 1 1 2 . . . . . . . . 2kh4_ambr001 5 FAG HM3 parsed_2kh4 1 2 1 1 . . . . . . . . 2kh4_ambr001 1 DC H2'2 parsed_2kh4 1 2 1 2 . . . . . . . . 2kh4_ambr001 1 DC H6 parsed_2kh4 1 3 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H2'2 parsed_2kh4 1 3 1 2 . . . . . . . . 2kh4_ambr001 3 FAG H4' parsed_2kh4 1 4 1 1 . . . . . . . . 2kh4_ambr001 1 DC H3' parsed_2kh4 1 4 1 2 . . . . . . . . 2kh4_ambr001 1 DC H6 parsed_2kh4 1 5 1 1 . . . . . . . . 2kh4_ambr001 1 DC H1' parsed_2kh4 1 5 1 2 . . . . . . . . 2kh4_ambr001 1 DC H2'1 parsed_2kh4 1 6 1 1 . . . . . . . . 2kh4_ambr001 1 DC H1' parsed_2kh4 1 6 1 2 . . . . . . . . 2kh4_ambr001 1 DC H2'2 parsed_2kh4 1 7 1 1 . . . . . . . . 2kh4_ambr001 1 DC H1' parsed_2kh4 1 7 1 2 . . . . . . . . 2kh4_ambr001 1 DC H6 parsed_2kh4 1 8 1 1 . . . . . . . . 2kh4_ambr001 2 DT H1' parsed_2kh4 1 8 1 2 . . . . . . . . 2kh4_ambr001 2 DT H2'1 parsed_2kh4 1 9 1 1 . . . . . . . . 2kh4_ambr001 2 DT H1' parsed_2kh4 1 9 1 2 . . . . . . . . 2kh4_ambr001 2 DT H2'2 parsed_2kh4 1 10 1 1 . . . . . . . . 2kh4_ambr001 2 DT H1' parsed_2kh4 1 10 1 2 . . . . . . . . 2kh4_ambr001 2 DT H6 parsed_2kh4 1 11 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H1' parsed_2kh4 1 11 1 2 . . . . . . . . 2kh4_ambr001 3 FAG H2'2 parsed_2kh4 1 12 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H1' parsed_2kh4 1 12 1 2 . . . . . . . . 2kh4_ambr001 3 FAG H3' parsed_2kh4 1 13 1 1 . . . . . . . . 2kh4_ambr001 4 DA H1' parsed_2kh4 1 13 1 2 . . . . . . . . 2kh4_ambr001 4 DA H4' parsed_2kh4 1 14 1 1 . . . . . . . . 2kh4_ambr001 1 DC H2'1 parsed_2kh4 1 14 1 2 . . . . . . . . 2kh4_ambr001 1 DC H3' parsed_2kh4 1 15 1 1 . . . . . . . . 2kh4_ambr001 1 DC H2'1 parsed_2kh4 1 15 1 2 . . . . . . . . 2kh4_ambr001 1 DC H6 parsed_2kh4 1 16 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H2'1 parsed_2kh4 1 16 1 2 . . . . . . . . 2kh4_ambr001 5 FAG H5B parsed_2kh4 1 17 1 1 . . . . . . . . 2kh4_ambr001 4 DA H2'1 parsed_2kh4 1 17 1 2 . . . . . . . . 2kh4_ambr001 4 DA H4' parsed_2kh4 1 18 1 1 . . . . . . . . 2kh4_ambr001 1 DC H2'2 parsed_2kh4 1 18 1 2 . . . . . . . . 2kh4_ambr001 1 DC H3' parsed_2kh4 1 19 1 1 . . . . . . . . 2kh4_ambr001 1 DC H2'2 parsed_2kh4 1 19 1 2 . . . . . . . . 2kh4_ambr001 1 DC H4' parsed_2kh4 1 20 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H2'2 parsed_2kh4 1 20 1 2 . . . . . . . . 2kh4_ambr001 3 FAG H3' parsed_2kh4 1 21 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H2'2 parsed_2kh4 1 21 1 2 . . . . . . . . 2kh4_ambr001 5 FAG H5B parsed_2kh4 1 22 1 1 . . . . . . . . 2kh4_ambr001 4 DA H2'2 parsed_2kh4 1 22 1 2 . . . . . . . . 2kh4_ambr001 4 DA H4' parsed_2kh4 1 23 1 1 . . . . . . . . 2kh4_ambr001 1 DC H3' parsed_2kh4 1 23 1 2 . . . . . . . . 2kh4_ambr001 1 DC H5'1 parsed_2kh4 1 24 1 1 . . . . . . . . 2kh4_ambr001 1 DC H5'1 parsed_2kh4 1 24 1 2 . . . . . . . . 2kh4_ambr001 1 DC H6 parsed_2kh4 1 25 1 1 . . . . . . . . 2kh4_ambr001 2 DT H1' parsed_2kh4 1 25 1 2 . . . . . . . . 2kh4_ambr001 2 DT H4' parsed_2kh4 1 26 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H1' parsed_2kh4 1 26 1 2 . . . . . . . . 2kh4_ambr001 3 FAG H2'1 parsed_2kh4 1 27 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H1' parsed_2kh4 1 27 1 2 . . . . . . . . 2kh4_ambr001 3 FAG H5'1 parsed_2kh4 1 28 1 1 . . . . . . . . 2kh4_ambr001 4 DA H1' parsed_2kh4 1 28 1 2 . . . . . . . . 2kh4_ambr001 4 DA H2'1 parsed_2kh4 1 29 1 1 . . . . . . . . 2kh4_ambr001 2 DT H2'1 parsed_2kh4 1 29 1 2 . . . . . . . . 2kh4_ambr001 2 DT H3' parsed_2kh4 1 30 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H2'1 parsed_2kh4 1 30 1 2 . . . . . . . . 2kh4_ambr001 3 FAG H3' parsed_2kh4 1 31 1 1 . . . . . . . . 2kh4_ambr001 4 DA H2'1 parsed_2kh4 1 31 1 2 . . . . . . . . 2kh4_ambr001 4 DA H3' parsed_2kh4 1 32 1 1 . . . . . . . . 2kh4_ambr001 2 DT H2'2 parsed_2kh4 1 32 1 2 . . . . . . . . 2kh4_ambr001 2 DT H3' parsed_2kh4 1 33 1 1 . . . . . . . . 2kh4_ambr001 4 DA H2'2 parsed_2kh4 1 33 1 2 . . . . . . . . 2kh4_ambr001 4 DA H3' parsed_2kh4 1 34 1 1 . . . . . . . . 2kh4_ambr001 2 DT H3' parsed_2kh4 1 34 1 2 . . . . . . . . 2kh4_ambr001 2 DT H4' parsed_2kh4 1 35 1 1 . . . . . . . . 2kh4_ambr001 2 DT H3' parsed_2kh4 1 35 1 2 . . . . . . . . 2kh4_ambr001 2 DT H6 parsed_2kh4 1 36 1 1 . . . . . . . . 2kh4_ambr001 4 DA H3' parsed_2kh4 1 36 1 2 . . . . . . . . 2kh4_ambr001 4 DA H4' parsed_2kh4 1 37 1 1 . . . . . . . . 2kh4_ambr001 4 DA H1' parsed_2kh4 1 37 1 2 . . . . . . . . 2kh4_ambr001 4 DA H2'2 parsed_2kh4 1 38 1 1 . . . . . . . . 2kh4_ambr001 2 DT H2'1 parsed_2kh4 1 38 1 2 . . . . . . . . 2kh4_ambr001 2 DT H6 parsed_2kh4 1 39 1 1 . . . . . . . . 2kh4_ambr001 2 DT H2'2 parsed_2kh4 1 39 1 2 . . . . . . . . 2kh4_ambr001 2 DT H6 parsed_2kh4 1 40 1 1 . . . . . . . . 2kh4_ambr001 4 DA H2'2 parsed_2kh4 1 40 1 2 . . . . . . . . 2kh4_ambr001 4 DA H8 parsed_2kh4 1 41 1 1 . . . . . . . . 2kh4_ambr001 1 DC H3' parsed_2kh4 1 41 1 2 . . . . . . . . 2kh4_ambr001 1 DC H4' parsed_2kh4 1 42 1 1 . . . . . . . . 2kh4_ambr001 2 DT H3' parsed_2kh4 1 42 1 2 . . . . . . . . 2kh4_ambr001 2 DT H5'1 parsed_2kh4 1 43 1 1 . . . . . . . . 2kh4_ambr001 2 DT H3' parsed_2kh4 1 43 1 2 . . . . . . . . 2kh4_ambr001 2 DT H5'2 parsed_2kh4 1 44 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H3' parsed_2kh4 1 44 1 2 . . . . . . . . 2kh4_ambr001 3 FAG H5'1 parsed_2kh4 1 45 1 1 . . . . . . . . 2kh4_ambr001 4 DA H3' parsed_2kh4 1 45 1 2 . . . . . . . . 2kh4_ambr001 4 DA H5'1 parsed_2kh4 1 46 1 1 . . . . . . . . 2kh4_ambr001 5 FAG H5B parsed_2kh4 1 46 1 2 . . . . . . . . 2kh4_ambr001 5 FAG HM1 parsed_2kh4 1 46 1 2 . . . . . . . . 2kh4_ambr001 5 FAG HM2 parsed_2kh4 1 46 1 2 . . . . . . . . 2kh4_ambr001 5 FAG HM3 parsed_2kh4 1 47 1 1 . . . . . . . . 2kh4_ambr001 4 DA H2'1 parsed_2kh4 1 47 1 2 . . . . . . . . 2kh4_ambr001 4 DA H8 parsed_2kh4 1 48 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H3' parsed_2kh4 1 48 1 2 . . . . . . . . 2kh4_ambr001 3 FAG H4' parsed_2kh4 1 49 1 1 . . . . . . . . 2kh4_ambr001 1 DC H4' parsed_2kh4 1 49 1 2 . . . . . . . . 2kh4_ambr001 1 DC H5'1 parsed_2kh4 1 50 1 1 . . . . . . . . 2kh4_ambr001 2 DT H4' parsed_2kh4 1 50 1 2 . . . . . . . . 2kh4_ambr001 2 DT H5'1 parsed_2kh4 1 51 1 1 . . . . . . . . 2kh4_ambr001 2 DT H4' parsed_2kh4 1 51 1 2 . . . . . . . . 2kh4_ambr001 2 DT H5'2 parsed_2kh4 1 52 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H4' parsed_2kh4 1 52 1 2 . . . . . . . . 2kh4_ambr001 3 FAG H5'2 parsed_2kh4 1 53 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H4' parsed_2kh4 1 53 1 2 . . . . . . . . 2kh4_ambr001 3 FAG H5'1 parsed_2kh4 1 54 1 1 . . . . . . . . 2kh4_ambr001 4 DA H4' parsed_2kh4 1 54 1 2 . . . . . . . . 2kh4_ambr001 4 DA H5'1 parsed_2kh4 1 55 1 1 . . . . . . . . 2kh4_ambr001 4 DA H4' parsed_2kh4 1 55 1 2 . . . . . . . . 2kh4_ambr001 4 DA H5'2 parsed_2kh4 1 56 1 1 . . . . . . . . 2kh4_ambr001 2 DT H5'1 parsed_2kh4 1 56 1 2 . . . . . . . . 2kh4_ambr001 2 DT H6 parsed_2kh4 1 57 1 1 . . . . . . . . 2kh4_ambr001 3 FAG H8 parsed_2kh4 1 57 1 2 . . . . . . . . 2kh4_ambr001 5 FAG H8A parsed_2kh4 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 7.40 4.12 7.90 parsed_2kh4 1 2 1 . . . . . 6.66 3.60 7.16 parsed_2kh4 1 3 1 . . . . . 4.49 2.49 4.99 parsed_2kh4 1 4 1 . . . . . 4.00 2.89 4.50 parsed_2kh4 1 5 1 . . . . . 4.07 2.73 4.57 parsed_2kh4 1 6 1 . . . . . 2.91 1.80 3.41 parsed_2kh4 1 7 1 . . . . . 4.09 3.28 4.59 parsed_2kh4 1 8 1 . . . . . 3.50 2.84 4.00 parsed_2kh4 1 9 1 . . . . . 3.04 2.35 3.54 parsed_2kh4 1 10 1 . . . . . 5.19 3.38 5.69 parsed_2kh4 1 11 1 . . . . . 3.64 2.42 4.14 parsed_2kh4 1 12 1 . . . . . 5.38 3.79 5.88 parsed_2kh4 1 13 1 . . . . . 3.20 2.66 3.70 parsed_2kh4 1 14 1 . . . . . 4.25 1.80 4.75 parsed_2kh4 1 15 1 . . . . . 3.87 2.89 4.37 parsed_2kh4 1 16 1 . . . . . 3.80 2.80 4.30 parsed_2kh4 1 17 1 . . . . . 5.10 2.52 5.60 parsed_2kh4 1 18 1 . . . . . 2.65 1.93 3.15 parsed_2kh4 1 19 1 . . . . . 4.10 2.57 4.60 parsed_2kh4 1 20 1 . . . . . 2.86 2.28 3.36 parsed_2kh4 1 21 1 . . . . . 4.84 2.93 5.34 parsed_2kh4 1 22 1 . . . . . 5.31 2.55 5.81 parsed_2kh4 1 23 1 . . . . . 3.16 2.37 3.66 parsed_2kh4 1 24 1 . . . . . 3.48 2.95 3.98 parsed_2kh4 1 25 1 . . . . . 4.13 3.25 4.63 parsed_2kh4 1 26 1 . . . . . 2.68 2.03 3.18 parsed_2kh4 1 27 1 . . . . . 2.53 1.84 3.03 parsed_2kh4 1 28 1 . . . . . 4.74 2.66 5.24 parsed_2kh4 1 29 1 . . . . . 2.86 2.18 3.36 parsed_2kh4 1 30 1 . . . . . 2.98 2.26 3.48 parsed_2kh4 1 31 1 . . . . . 3.06 2.27 3.56 parsed_2kh4 1 32 1 . . . . . 2.91 2.26 3.41 parsed_2kh4 1 33 1 . . . . . 4.27 2.70 4.77 parsed_2kh4 1 34 1 . . . . . 4.96 2.73 5.46 parsed_2kh4 1 35 1 . . . . . 4.52 2.86 5.02 parsed_2kh4 1 36 1 . . . . . 4.00 2.54 4.50 parsed_2kh4 1 37 1 . . . . . 2.72 2.04 3.22 parsed_2kh4 1 38 1 . . . . . 2.88 2.15 3.38 parsed_2kh4 1 39 1 . . . . . 3.22 2.45 3.72 parsed_2kh4 1 40 1 . . . . . 4.96 2.46 5.46 parsed_2kh4 1 41 1 . . . . . 2.76 2.19 3.26 parsed_2kh4 1 42 1 . . . . . 3.80 1.81 4.30 parsed_2kh4 1 43 1 . . . . . 4.35 2.26 4.85 parsed_2kh4 1 44 1 . . . . . 2.93 1.90 3.43 parsed_2kh4 1 45 1 . . . . . 2.98 2.20 3.48 parsed_2kh4 1 46 1 . . . . . 4.10 2.84 4.60 parsed_2kh4 1 47 1 . . . . . 3.10 1.88 3.60 parsed_2kh4 1 48 1 . . . . . 3.76 2.28 4.26 parsed_2kh4 1 49 1 . . . . . 3.25 2.02 3.75 parsed_2kh4 1 50 1 . . . . . 2.86 1.76 3.36 parsed_2kh4 1 51 1 . . . . . 4.50 2.10 5.00 parsed_2kh4 1 52 1 . . . . . 3.28 1.75 3.78 parsed_2kh4 1 53 1 . . . . . 3.48 1.60 3.98 parsed_2kh4 1 54 1 . . . . . 3.64 1.74 4.14 parsed_2kh4 1 55 1 . . . . . 3.12 1.59 3.62 parsed_2kh4 1 56 1 . . . . . 4.02 2.50 4.52 parsed_2kh4 1 57 1 . . . . . 2.76 2.14 3.26 parsed_2kh4 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 "2 THY H1' 5 FAG M" 1 1 1 35 parsed_2kh4 1 2 "1 CYT H2'' 1 CYT H6" 8 1 9 38 parsed_2kh4 1 3 "3 FAG H2'' 3 FAG H4'" 12 1 13 37 parsed_2kh4 1 4 "1 CYT H3' 1 CYT H6" 16 1 17 34 parsed_2kh4 1 5 "1 CYT H1' 1 CYT H2'" 20 1 21 38 parsed_2kh4 1 6 "1 CYT H1' 1 CYT H2''" 24 1 25 36 parsed_2kh4 1 7 "1 CYT H1' 1 CYT H6" 28 1 29 38 parsed_2kh4 1 8 "2 THY H1' 2 THY H2'" 32 1 33 39 parsed_2kh4 1 9 "2 THY H1' 2 THY H2''" 36 1 37 40 parsed_2kh4 1 10 "2 THY H1' 2 THY H6" 40 1 41 38 parsed_2kh4 1 11 "3 FAG H1' 3 FAG H2''" 44 1 45 37 parsed_2kh4 1 12 "3 FAG H1' 3 FAG H3'" 48 1 49 37 parsed_2kh4 1 13 "4 ADE H1' 4 ADE H4'" 52 1 53 37 parsed_2kh4 1 14 "1 CYT H2' 1 CYT H3'" 56 1 57 36 parsed_2kh4 1 15 "1 CYT H2' 1 CYT H6" 60 1 61 38 parsed_2kh4 1 16 "3 FAG H2' 5 FAG H5B" 64 1 65 36 parsed_2kh4 1 17 "4 ADE H2' 4 ADE H4'" 68 1 69 39 parsed_2kh4 1 18 "1 CYT H2'' 1 CYT H3'" 72 1 73 38 parsed_2kh4 1 19 "1 CYT H2'' 1 CYT H4'" 76 1 77 37 parsed_2kh4 1 20 "3 FAG H2'' 3 FAG H3'" 80 1 81 37 parsed_2kh4 1 21 "3 FAG H2'' 5 FAG H5B" 84 1 85 38 parsed_2kh4 1 22 "4 ADE H2'' 4 ADE H4'" 88 1 89 38 parsed_2kh4 1 23 "1 CYT H3' 1 CYT H5'" 92 1 93 39 parsed_2kh4 1 24 "1 CYT H5' 1 CYT H6" 96 1 97 38 parsed_2kh4 1 25 "2 THY H1' 2 THY H4'" 100 1 101 38 parsed_2kh4 1 26 "3 FAG H1' 3 FAG H2'" 104 1 105 37 parsed_2kh4 1 27 "3 FAG H1' 3 FAG H5''" 108 1 109 35 parsed_2kh4 1 28 "4 ADE H1' 4 ADE H2'" 112 1 113 39 parsed_2kh4 1 29 "2 THY H2' 2 THY H3'" 116 1 117 38 parsed_2kh4 1 30 "3 FAG H2' 3 FAG H3'" 120 1 121 37 parsed_2kh4 1 31 "4 ADE H2' 4 ADE H3'" 124 1 125 39 parsed_2kh4 1 32 "2 THY H2'' 2 THY H3'" 128 1 129 39 parsed_2kh4 1 33 "4 ADE H2'' 4 ADE H3'" 132 1 133 40 parsed_2kh4 1 34 "2 THY H3' 2 THY H4'" 136 1 137 38 parsed_2kh4 1 35 "2 THY H3' 2 THY H6" 140 1 141 38 parsed_2kh4 1 36 "4 ADE H3' 4 ADE H4'" 144 1 145 39 parsed_2kh4 1 37 "4 ADE H1' 4 ADE H2''" 148 1 149 39 parsed_2kh4 1 38 "2 THY H2' 2 THY H6" 152 1 153 38 parsed_2kh4 1 39 "2 THY H2'' 2 THY H6" 156 1 157 37 parsed_2kh4 1 40 "4 ADE H2'' 4 ADE H8" 160 1 161 39 parsed_2kh4 1 41 "1 CYT H3' 1 CYT H4'" 164 1 165 37 parsed_2kh4 1 42 "2 THY H3' 2 THY H5'" 168 1 169 37 parsed_2kh4 1 43 "2 THY H3' 2 THY H5''" 172 1 173 40 parsed_2kh4 1 44 "3 FAG H3' 3 FAG H5''" 176 1 177 35 parsed_2kh4 1 45 "4 ADE H3' 4 ADE H5'" 180 1 181 39 parsed_2kh4 1 46 "5 FAG H5B 5 FAG M" 184 1 185 35 parsed_2kh4 1 47 "4 ADE H2' 4 ADE H8" 190 1 191 37 parsed_2kh4 1 48 "3 FAG H3' 3 FAG H4'" 194 1 195 36 parsed_2kh4 1 49 "1 CYT H4' 1 CYT H5'" 198 1 199 38 parsed_2kh4 1 50 "2 THY H4' 2 THY H5'" 202 1 203 38 parsed_2kh4 1 51 "2 THY H4' 2 THY H5''" 206 1 207 39 parsed_2kh4 1 52 "3 FAG H4' 3 FAG H5'" 210 1 211 34 parsed_2kh4 1 53 "3 FAG H4' 3 FAG H5''" 214 1 215 35 parsed_2kh4 1 54 "4 ADE H4' 4 ADE H5'" 218 1 219 38 parsed_2kh4 1 55 "4 ADE H4' 4 ADE H5''" 222 1 223 40 parsed_2kh4 1 56 "2 THY H5' 2 THY H6" 226 1 227 38 parsed_2kh4 1 57 "3 FAG H8 5 FAG H8A" 230 1 231 33 parsed_2kh4 1 stop_ save_
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