NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
34402 | 1juu | 5164 | cing | 2-parsed | STAR | entry | full | 292 |
data_1juu_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1juu _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_1juu 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1juu _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 1juu "Master copy" parsed_1juu stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1juu _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 1juu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1juu 1 1 1juu.mr . . DISCOVER 2 distance NOE simple 50 parsed_1juu 1 1 1juu.mr . . DISCOVER 3 distance "hydrogen bond" simple 28 parsed_1juu 1 1 1juu.mr . . DISCOVER 4 distance NOE simple 22 parsed_1juu 1 1 1juu.mr . . DISCOVER 5 distance "hydrogen bond" simple 30 parsed_1juu 1 1 1juu.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 162 parsed_1juu 1 1 1juu.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1juu 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_1juu _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 28-AUG-01 1JUU *TITLE NMR STRUCTURE OF A PARALLEL STRANDED DNA DUPLEX AT ATOMIC *TITLE 2 RESOLUTION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3'; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: 5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3'; *COMPND 7 CHAIN: B; *COMPND 8 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE DNA DUPLEX WAS SYNTHESIZED WITH AN *SOURCE 4 APPLIED BIOSYSTEMS MODEL 380B DNA SYNTHESIZER USING SOLID *SOURCE 5 STATE PHOSPHORAMIDATE CHEMISTRY; *SOURCE 6 MOL_ID: 2; *SOURCE 7 SYNTHETIC: YES *KEYWDS PARALLEL STRANDED, DNA DUPLEX *EXPDTA NMR, 20 STRUCTURES *AUTHOR V.R.PARVATHY, S.R.BHAUMIK, K.V.R.CHARY, G.GOVIL, K.LIU, *AUTHOR 2 F.B.HOWARD, H.T.MILES *REVDAT 1 03-APR-02 1JUU 0 !BIOSYM restraint 1 !NOE distances ; save_ save_Discover_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1juu _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _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_1juu 1 2 1 . . . parsed_1juu 1 3 1 . . . parsed_1juu 1 4 1 . . . parsed_1juu 1 5 1 . . . parsed_1juu 1 6 1 . . . parsed_1juu 1 7 1 . . . parsed_1juu 1 8 1 . . . parsed_1juu 1 9 1 . . . parsed_1juu 1 10 1 . . . parsed_1juu 1 11 1 . . . parsed_1juu 1 12 1 . . . parsed_1juu 1 13 1 . . . parsed_1juu 1 14 1 . . . parsed_1juu 1 15 1 . . . parsed_1juu 1 16 1 . . . parsed_1juu 1 17 1 . . . parsed_1juu 1 18 1 . . . parsed_1juu 1 19 1 . . . parsed_1juu 1 20 1 . . . parsed_1juu 1 21 1 . . . parsed_1juu 1 22 1 . . . parsed_1juu 1 23 1 . . . parsed_1juu 1 24 1 . . . parsed_1juu 1 25 1 . . . parsed_1juu 1 26 1 . . . parsed_1juu 1 27 1 . . . parsed_1juu 1 28 1 . . . parsed_1juu 1 29 1 . . . parsed_1juu 1 30 1 . . . parsed_1juu 1 31 1 . . . parsed_1juu 1 32 1 . . . parsed_1juu 1 33 1 . . . parsed_1juu 1 34 1 . . . parsed_1juu 1 35 1 . . . parsed_1juu 1 36 1 . . . parsed_1juu 1 37 1 . . . parsed_1juu 1 38 1 . . . parsed_1juu 1 39 1 . . . parsed_1juu 1 40 1 . . . parsed_1juu 1 41 1 . . . parsed_1juu 1 42 1 . . . parsed_1juu 1 43 1 . . . parsed_1juu 1 44 1 . . . parsed_1juu 1 45 1 . . . parsed_1juu 1 46 1 . . . parsed_1juu 1 47 1 . . . parsed_1juu 1 48 1 . . . parsed_1juu 1 49 1 . . . parsed_1juu 1 50 1 . . . parsed_1juu 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 . . . . . . . . B 2 C H6 parsed_1juu 1 1 1 2 . . . . . . . . B 2 C H2'1 parsed_1juu 1 2 1 1 . . . . . . . . B 4 A H8 parsed_1juu 1 2 1 2 . . . . . . . . B 5 T H5M1 parsed_1juu 1 3 1 1 . . . . . . . . 1 3 A H8 parsed_1juu 1 3 1 2 . . . . . . . . 1 4 T H5M1 parsed_1juu 1 4 1 1 . . . . . . . . 1 6 A H8 parsed_1juu 1 4 1 2 . . . . . . . . 1 7 T H5M1 parsed_1juu 1 5 1 1 . . . . . . . . B 9 A H8 parsed_1juu 1 5 1 2 . . . . . . . . B 10 T H5M1 parsed_1juu 1 6 1 1 . . . . . . . . B 2 C H6 parsed_1juu 1 6 1 2 . . . . . . . . B 2 C H2'2 parsed_1juu 1 7 1 1 . . . . . . . . 1 11 C H6 parsed_1juu 1 7 1 2 . . . . . . . . 1 11 C H2'1 parsed_1juu 1 8 1 1 . . . . . . . . B 7 A H8 parsed_1juu 1 8 1 2 . . . . . . . . B 6 T H2'1 parsed_1juu 1 9 1 1 . . . . . . . . B 4 A H8 parsed_1juu 1 9 1 2 . . . . . . . . B 5 T H2'1 parsed_1juu 1 10 1 1 . . . . . . . . 1 3 A H8 parsed_1juu 1 10 1 2 . . . . . . . . 1 2 C H2'1 parsed_1juu 1 11 1 1 . . . . . . . . 1 10 A H8 parsed_1juu 1 11 1 2 . . . . . . . . 1 9 T H2'2 parsed_1juu 1 12 1 1 . . . . . . . . B 4 A H8 parsed_1juu 1 12 1 2 . . . . . . . . B 3 T H2'2 parsed_1juu 1 13 1 1 . . . . . . . . 1 8 T H6 parsed_1juu 1 13 1 2 . . . . . . . . 1 8 T H5M1 parsed_1juu 1 14 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1 14 1 2 . . . . . . . . B 5 T H5M1 parsed_1juu 1 15 1 1 . . . . . . . . 1 7 T H6 parsed_1juu 1 15 1 2 . . . . . . . . 1 7 T H5M1 parsed_1juu 1 16 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1 16 1 2 . . . . . . . . 1 4 T H5M1 parsed_1juu 1 17 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1 17 1 2 . . . . . . . . 1 4 T H2'2 parsed_1juu 1 18 1 1 . . . . . . . . B 10 T H6 parsed_1juu 1 18 1 2 . . . . . . . . B 10 T H5M1 parsed_1juu 1 19 1 1 . . . . . . . . B 3 T H6 parsed_1juu 1 19 1 2 . . . . . . . . B 3 T H5M1 parsed_1juu 1 20 1 1 . . . . . . . . B 3 T H6 parsed_1juu 1 20 1 2 . . . . . . . . B 3 T H2'1 parsed_1juu 1 21 1 1 . . . . . . . . 1 8 T H6 parsed_1juu 1 21 1 2 . . . . . . . . 1 8 T H2'2 parsed_1juu 1 22 1 1 . . . . . . . . 1 8 T H6 parsed_1juu 1 22 1 2 . . . . . . . . 1 7 T H2'2 parsed_1juu 1 23 1 1 . . . . . . . . 1 8 T H6 parsed_1juu 1 23 1 2 . . . . . . . . 1 8 T H2'1 parsed_1juu 1 24 1 1 . . . . . . . . 1 8 T H6 parsed_1juu 1 24 1 2 . . . . . . . . 1 7 T H2'1 parsed_1juu 1 25 1 1 . . . . . . . . 1 9 T H6 parsed_1juu 1 25 1 2 . . . . . . . . 1 9 T H2'1 parsed_1juu 1 26 1 1 . . . . . . . . B 3 T H6 parsed_1juu 1 26 1 2 . . . . . . . . B 2 C H2'1 parsed_1juu 1 27 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1 27 1 2 . . . . . . . . B 4 A H2'2 parsed_1juu 1 28 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1 28 1 2 . . . . . . . . B 4 A H2'1 parsed_1juu 1 29 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1 29 1 2 . . . . . . . . B 5 T H2'1 parsed_1juu 1 30 1 1 . . . . . . . . 1 7 T H6 parsed_1juu 1 30 1 2 . . . . . . . . 1 7 T H2'1 parsed_1juu 1 31 1 1 . . . . . . . . B 10 T H6 parsed_1juu 1 31 1 2 . . . . . . . . B 10 T H2'1 parsed_1juu 1 32 1 1 . . . . . . . . B 6 T H6 parsed_1juu 1 32 1 2 . . . . . . . . B 5 T H2'1 parsed_1juu 1 33 1 1 . . . . . . . . 1 7 T H6 parsed_1juu 1 33 1 2 . . . . . . . . 1 6 A H2'1 parsed_1juu 1 34 1 1 . . . . . . . . 1 7 T H6 parsed_1juu 1 34 1 2 . . . . . . . . 1 6 A H2'2 parsed_1juu 1 35 1 1 . . . . . . . . B 10 T H6 parsed_1juu 1 35 1 2 . . . . . . . . B 9 A H2'1 parsed_1juu 1 36 1 1 . . . . . . . . B 10 T H6 parsed_1juu 1 36 1 2 . . . . . . . . B 9 A H2'2 parsed_1juu 1 37 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1 37 1 2 . . . . . . . . 1 3 A H2'1 parsed_1juu 1 38 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1 38 1 2 . . . . . . . . 1 3 A H2'2 parsed_1juu 1 39 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1 39 1 2 . . . . . . . . B 5 T H2'2 parsed_1juu 1 40 1 1 . . . . . . . . 1 7 T H6 parsed_1juu 1 40 1 2 . . . . . . . . 1 7 T H2'2 parsed_1juu 1 41 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1 41 1 2 . . . . . . . . 1 4 T H2'1 parsed_1juu 1 42 1 1 . . . . . . . . B 4 A H8 parsed_1juu 1 42 1 2 . . . . . . . . B 4 A H1' parsed_1juu 1 43 1 1 . . . . . . . . 1 10 A H8 parsed_1juu 1 43 1 2 . . . . . . . . 1 10 A H1' parsed_1juu 1 44 1 1 . . . . . . . . 1 3 A H8 parsed_1juu 1 44 1 2 . . . . . . . . 1 3 A H1' parsed_1juu 1 45 1 1 . . . . . . . . 1 6 A H8 parsed_1juu 1 45 1 2 . . . . . . . . 1 6 A H1' parsed_1juu 1 46 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1 46 1 2 . . . . . . . . 1 4 T H3' parsed_1juu 1 47 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1 47 1 2 . . . . . . . . 1 4 T H1' parsed_1juu 1 48 1 1 . . . . . . . . 1 4 T H6 parsed_1juu 1 48 1 2 . . . . . . . . 1 3 A H1' parsed_1juu 1 49 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1 49 1 2 . . . . . . . . B 4 A H1' parsed_1juu 1 50 1 1 . . . . . . . . B 5 T H6 parsed_1juu 1 50 1 2 . . . . . . . . B 5 T H1' parsed_1juu 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 . . . . . 0.0 3.1 4.1 parsed_1juu 1 2 1 . . . . . 0.0 5.5 6.5 parsed_1juu 1 3 1 . . . . . 0.0 3.5 4.5 parsed_1juu 1 4 1 . . . . . 0.0 3.5 4.5 parsed_1juu 1 5 1 . . . . . 0.0 3.5 4.5 parsed_1juu 1 6 1 . . . . . 0.0 2.5 3.5 parsed_1juu 1 7 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1 8 1 . . . . . 0.0 3.0 4.0 parsed_1juu 1 9 1 . . . . . 0.0 5.0 6.0 parsed_1juu 1 10 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1 11 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1 12 1 . . . . . 0.0 3.9 4.8 parsed_1juu 1 13 1 . . . . . 0.0 2.5 3.5 parsed_1juu 1 14 1 . . . . . 0.0 2.5 3.5 parsed_1juu 1 15 1 . . . . . 0.0 2.9 3.9 parsed_1juu 1 16 1 . . . . . 0.0 2.0 3.0 parsed_1juu 1 17 1 . . . . . 0.0 2.0 3.0 parsed_1juu 1 18 1 . . . . . 0.0 2.2 3.3 parsed_1juu 1 19 1 . . . . . 0.0 2.4 3.3 parsed_1juu 1 20 1 . . . . . 0.0 3.3 4.3 parsed_1juu 1 21 1 . . . . . 0.0 2.2 3.2 parsed_1juu 1 22 1 . . . . . 0.0 2.2 3.2 parsed_1juu 1 23 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1 24 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1 25 1 . . . . . 0.0 4.4 5.3 parsed_1juu 1 26 1 . . . . . 0.0 3.2 4.2 parsed_1juu 1 27 1 . . . . . 0.0 2.8 3.7 parsed_1juu 1 28 1 . . . . . 0.0 2.8 3.7 parsed_1juu 1 29 1 . . . . . 0.0 2.5 3.2 parsed_1juu 1 30 1 . . . . . 0.0 2.3 3.3 parsed_1juu 1 31 1 . . . . . 0.0 3.5 4.5 parsed_1juu 1 32 1 . . . . . 0.0 2.5 3.5 parsed_1juu 1 33 1 . . . . . 0.0 3.0 4.0 parsed_1juu 1 34 1 . . . . . 0.0 3.0 4.0 parsed_1juu 1 35 1 . . . . . 0.0 2.9 3.9 parsed_1juu 1 36 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1 37 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1 38 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1 39 1 . . . . . 0.0 2.0 3.0 parsed_1juu 1 40 1 . . . . . 0.0 2.0 3.0 parsed_1juu 1 41 1 . . . . . 0.0 2.5 3.5 parsed_1juu 1 42 1 . . . . . 0.0 3.0 4.0 parsed_1juu 1 43 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1 44 1 . . . . . 0.0 2.7 3.7 parsed_1juu 1 45 1 . . . . . 0.0 3.1 4.1 parsed_1juu 1 46 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1 47 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1 48 1 . . . . . 0.0 4.0 5.0 parsed_1juu 1 49 1 . . . . . 0.0 3.7 4.7 parsed_1juu 1 50 1 . . . . . 0.0 3.1 4.1 parsed_1juu 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 NOE_distance 1 1 1 15 parsed_1juu 1 stop_ save_ save_Discover_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1juu _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _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_1juu 2 2 1 . . . parsed_1juu 2 3 1 . . . parsed_1juu 2 4 1 . . . parsed_1juu 2 5 1 . . . parsed_1juu 2 6 1 . . . parsed_1juu 2 7 1 . . . parsed_1juu 2 8 1 . . . parsed_1juu 2 9 1 . . . parsed_1juu 2 10 1 . . . parsed_1juu 2 11 1 . . . parsed_1juu 2 12 1 . . . parsed_1juu 2 13 1 . . . parsed_1juu 2 14 1 . . . parsed_1juu 2 15 1 . . . parsed_1juu 2 16 1 . . . parsed_1juu 2 17 1 . . . parsed_1juu 2 18 1 . . . parsed_1juu 2 19 1 . . . parsed_1juu 2 20 1 . . . parsed_1juu 2 21 1 . . . parsed_1juu 2 22 1 . . . parsed_1juu 2 23 1 . . . parsed_1juu 2 24 1 . . . parsed_1juu 2 25 1 . . . parsed_1juu 2 26 1 . . . parsed_1juu 2 27 1 . . . parsed_1juu 2 28 1 . . . parsed_1juu 2 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 . . . . . . . . B 1 C O2 parsed_1juu 2 1 1 2 . . . . . . . . 1 1 C H42 parsed_1juu 2 2 1 1 . . . . . . . . B 1 C H42 parsed_1juu 2 2 1 2 . . . . . . . . 1 1 C O2 parsed_1juu 2 3 1 1 . . . . . . . . B 1 C N3 parsed_1juu 2 3 1 2 . . . . . . . . 1 1 C H3 parsed_1juu 2 4 1 1 . . . . . . . . B 2 C O2 parsed_1juu 2 4 1 2 . . . . . . . . 1 2 C H42 parsed_1juu 2 5 1 1 . . . . . . . . B 2 C H42 parsed_1juu 2 5 1 2 . . . . . . . . 1 2 C O2 parsed_1juu 2 6 1 1 . . . . . . . . B 2 C N3 parsed_1juu 2 6 1 2 . . . . . . . . 1 2 C H3 parsed_1juu 2 7 1 1 . . . . . . . . 1 3 A H61 parsed_1juu 2 7 1 2 . . . . . . . . B 3 T O2 parsed_1juu 2 8 1 1 . . . . . . . . 1 3 A N1 parsed_1juu 2 8 1 2 . . . . . . . . B 3 T H3 parsed_1juu 2 9 1 1 . . . . . . . . 1 4 T O2 parsed_1juu 2 9 1 2 . . . . . . . . B 4 A H61 parsed_1juu 2 10 1 1 . . . . . . . . 1 4 T H3 parsed_1juu 2 10 1 2 . . . . . . . . B 4 A N1 parsed_1juu 2 11 1 1 . . . . . . . . 1 5 A H61 parsed_1juu 2 11 1 2 . . . . . . . . B 5 T O2 parsed_1juu 2 12 1 1 . . . . . . . . 1 5 A N1 parsed_1juu 2 12 1 2 . . . . . . . . B 5 T H3 parsed_1juu 2 13 1 1 . . . . . . . . 1 6 A H61 parsed_1juu 2 13 1 2 . . . . . . . . B 6 T O2 parsed_1juu 2 14 1 1 . . . . . . . . 1 6 A N1 parsed_1juu 2 14 1 2 . . . . . . . . B 6 T H3 parsed_1juu 2 15 1 1 . . . . . . . . 1 7 T O2 parsed_1juu 2 15 1 2 . . . . . . . . B 7 A H61 parsed_1juu 2 16 1 1 . . . . . . . . 1 7 T H3 parsed_1juu 2 16 1 2 . . . . . . . . B 7 A N1 parsed_1juu 2 17 1 1 . . . . . . . . 1 8 T O2 parsed_1juu 2 17 1 2 . . . . . . . . B 8 A H61 parsed_1juu 2 18 1 1 . . . . . . . . 1 8 T H3 parsed_1juu 2 18 1 2 . . . . . . . . B 8 A N1 parsed_1juu 2 19 1 1 . . . . . . . . 1 9 T O2 parsed_1juu 2 19 1 2 . . . . . . . . B 9 A H61 parsed_1juu 2 20 1 1 . . . . . . . . 1 9 T H3 parsed_1juu 2 20 1 2 . . . . . . . . B 9 A N1 parsed_1juu 2 21 1 1 . . . . . . . . 1 10 A H61 parsed_1juu 2 21 1 2 . . . . . . . . B 10 T O2 parsed_1juu 2 22 1 1 . . . . . . . . 1 10 A N1 parsed_1juu 2 22 1 2 . . . . . . . . B 10 T H3 parsed_1juu 2 23 1 1 . . . . . . . . B 11 C O2 parsed_1juu 2 23 1 2 . . . . . . . . 1 11 C H42 parsed_1juu 2 24 1 1 . . . . . . . . B 11 C H42 parsed_1juu 2 24 1 2 . . . . . . . . 1 11 C O2 parsed_1juu 2 25 1 1 . . . . . . . . B 11 C N3 parsed_1juu 2 25 1 2 . . . . . . . . 1 11 C H3 parsed_1juu 2 26 1 1 . . . . . . . . B 12 C O2 parsed_1juu 2 26 1 2 . . . . . . . . 1 12 C H42 parsed_1juu 2 27 1 1 . . . . . . . . B 12 C H42 parsed_1juu 2 27 1 2 . . . . . . . . 1 12 C O2 parsed_1juu 2 28 1 1 . . . . . . . . B 12 C N3 parsed_1juu 2 28 1 2 . . . . . . . . 1 12 C H3 parsed_1juu 2 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 . . . . . . 1.92 2.20 parsed_1juu 2 2 1 . . . . . . 1.92 2.20 parsed_1juu 2 3 1 . . . . . . 1.92 2.20 parsed_1juu 2 4 1 . . . . . . 1.92 2.20 parsed_1juu 2 5 1 . . . . . . 1.92 2.20 parsed_1juu 2 6 1 . . . . . . 1.92 2.20 parsed_1juu 2 7 1 . . . . . . 1.92 2.20 parsed_1juu 2 8 1 . . . . . . 1.92 2.20 parsed_1juu 2 9 1 . . . . . . 1.92 2.20 parsed_1juu 2 10 1 . . . . . . 1.92 2.20 parsed_1juu 2 11 1 . . . . . . 1.92 2.20 parsed_1juu 2 12 1 . . . . . . 1.92 2.20 parsed_1juu 2 13 1 . . . . . . 1.92 2.20 parsed_1juu 2 14 1 . . . . . . 1.92 2.20 parsed_1juu 2 15 1 . . . . . . 1.92 2.20 parsed_1juu 2 16 1 . . . . . . 1.92 2.20 parsed_1juu 2 17 1 . . . . . . 1.92 2.20 parsed_1juu 2 18 1 . . . . . . 1.92 2.20 parsed_1juu 2 19 1 . . . . . . 1.92 2.20 parsed_1juu 2 20 1 . . . . . . 1.92 2.20 parsed_1juu 2 21 1 . . . . . . 1.92 2.20 parsed_1juu 2 22 1 . . . . . . 1.92 2.20 parsed_1juu 2 23 1 . . . . . . 1.92 2.20 parsed_1juu 2 24 1 . . . . . . 1.92 2.20 parsed_1juu 2 25 1 . . . . . . 1.92 2.20 parsed_1juu 2 26 1 . . . . . . 1.92 2.20 parsed_1juu 2 27 1 . . . . . . 1.92 2.20 parsed_1juu 2 28 1 . . . . . . 1.92 2.20 parsed_1juu 2 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 ; hydrogen bond distance ; 1 1 2 9 parsed_1juu 2 stop_ save_ save_Discover_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1juu _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _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_1juu 3 2 1 . . . parsed_1juu 3 3 1 . . . parsed_1juu 3 4 1 . . . parsed_1juu 3 5 1 . . . parsed_1juu 3 6 1 . . . parsed_1juu 3 7 1 . . . parsed_1juu 3 8 1 . . . parsed_1juu 3 9 1 . . . parsed_1juu 3 10 1 . . . parsed_1juu 3 11 1 . . . parsed_1juu 3 12 1 . . . parsed_1juu 3 13 1 . . . parsed_1juu 3 14 1 . . . parsed_1juu 3 15 1 . . . parsed_1juu 3 16 1 . . . parsed_1juu 3 17 1 . . . parsed_1juu 3 18 1 . . . parsed_1juu 3 19 1 . . . parsed_1juu 3 20 1 . . . parsed_1juu 3 21 1 . . . parsed_1juu 3 22 1 . . . parsed_1juu 3 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 . . . . . . . . B 3 T H3 parsed_1juu 3 1 1 2 . . . . . . . . 1 3 A H2 parsed_1juu 3 2 1 1 . . . . . . . . B 3 T H3 parsed_1juu 3 2 1 2 . . . . . . . . B 4 A H2 parsed_1juu 3 3 1 1 . . . . . . . . 1 4 T H3 parsed_1juu 3 3 1 2 . . . . . . . . 1 5 A H2 parsed_1juu 3 4 1 1 . . . . . . . . 1 4 T H3 parsed_1juu 3 4 1 2 . . . . . . . . 1 3 A H2 parsed_1juu 3 5 1 1 . . . . . . . . 1 4 T H3 parsed_1juu 3 5 1 2 . . . . . . . . B 4 A H2 parsed_1juu 3 6 1 1 . . . . . . . . B 5 T H3 parsed_1juu 3 6 1 2 . . . . . . . . B 4 A H2 parsed_1juu 3 7 1 1 . . . . . . . . B 5 T H3 parsed_1juu 3 7 1 2 . . . . . . . . 1 5 A H2 parsed_1juu 3 8 1 1 . . . . . . . . B 5 T H3 parsed_1juu 3 8 1 2 . . . . . . . . 1 6 A H2 parsed_1juu 3 9 1 1 . . . . . . . . B 6 T H3 parsed_1juu 3 9 1 2 . . . . . . . . 1 6 A H2 parsed_1juu 3 10 1 1 . . . . . . . . B 6 T H3 parsed_1juu 3 10 1 2 . . . . . . . . 1 5 A H2 parsed_1juu 3 11 1 1 . . . . . . . . B 6 T H3 parsed_1juu 3 11 1 2 . . . . . . . . B 7 A H2 parsed_1juu 3 12 1 1 . . . . . . . . 1 7 T H3 parsed_1juu 3 12 1 2 . . . . . . . . B 7 A H2 parsed_1juu 3 13 1 1 . . . . . . . . 1 7 T H3 parsed_1juu 3 13 1 2 . . . . . . . . B 8 A H2 parsed_1juu 3 14 1 1 . . . . . . . . 1 7 T H3 parsed_1juu 3 14 1 2 . . . . . . . . 1 6 A H2 parsed_1juu 3 15 1 1 . . . . . . . . 1 8 T H3 parsed_1juu 3 15 1 2 . . . . . . . . B 8 A H2 parsed_1juu 3 16 1 1 . . . . . . . . 1 8 T H3 parsed_1juu 3 16 1 2 . . . . . . . . B 7 A H2 parsed_1juu 3 17 1 1 . . . . . . . . 1 8 T H3 parsed_1juu 3 17 1 2 . . . . . . . . B 9 A H2 parsed_1juu 3 18 1 1 . . . . . . . . 1 9 T H3 parsed_1juu 3 18 1 2 . . . . . . . . B 8 A H2 parsed_1juu 3 19 1 1 . . . . . . . . 1 9 T H3 parsed_1juu 3 19 1 2 . . . . . . . . B 9 A H2 parsed_1juu 3 20 1 1 . . . . . . . . 1 9 T H3 parsed_1juu 3 20 1 2 . . . . . . . . 1 10 A H2 parsed_1juu 3 21 1 1 . . . . . . . . B 10 T H3 parsed_1juu 3 21 1 2 . . . . . . . . 1 10 A H2 parsed_1juu 3 22 1 1 . . . . . . . . B 10 T H3 parsed_1juu 3 22 1 2 . . . . . . . . B 9 A H2 parsed_1juu 3 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 . . . . . . 3.3 4.0 parsed_1juu 3 2 1 . . . . . . 3.4 4.4 parsed_1juu 3 3 1 . . . . . . 3.4 4.4 parsed_1juu 3 4 1 . . . . . . 3.4 4.4 parsed_1juu 3 5 1 . . . . . . 3.3 4.0 parsed_1juu 3 6 1 . . . . . . 3.4 4.4 parsed_1juu 3 7 1 . . . . . . 3.3 4.0 parsed_1juu 3 8 1 . . . . . . 3.4 4.4 parsed_1juu 3 9 1 . . . . . . 3.3 4.0 parsed_1juu 3 10 1 . . . . . . 3.4 4.4 parsed_1juu 3 11 1 . . . . . . 3.4 4.4 parsed_1juu 3 12 1 . . . . . . 3.3 4.0 parsed_1juu 3 13 1 . . . . . . 3.4 4.4 parsed_1juu 3 14 1 . . . . . . 3.4 4.4 parsed_1juu 3 15 1 . . . . . . 3.3 4.0 parsed_1juu 3 16 1 . . . . . . 3.4 4.4 parsed_1juu 3 17 1 . . . . . . 3.4 4.4 parsed_1juu 3 18 1 . . . . . . 3.4 4.4 parsed_1juu 3 19 1 . . . . . . 3.3 4.0 parsed_1juu 3 20 1 . . . . . . 3.4 4.4 parsed_1juu 3 21 1 . . . . . . 3.3 4.0 parsed_1juu 3 22 1 . . . . . . 3.4 4.4 parsed_1juu 3 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 "AH2-TNH3 constraint" 1 1 1 20 parsed_1juu 3 stop_ save_ save_Discover_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1juu _Distance_constraint_list.ID 4 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 5 _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_1juu 4 2 1 . . . parsed_1juu 4 3 1 . . . parsed_1juu 4 4 1 . . . parsed_1juu 4 5 1 . . . parsed_1juu 4 6 1 . . . parsed_1juu 4 7 1 . . . parsed_1juu 4 8 1 . . . parsed_1juu 4 9 1 . . . parsed_1juu 4 10 1 . . . parsed_1juu 4 11 1 . . . parsed_1juu 4 12 1 . . . parsed_1juu 4 13 1 . . . parsed_1juu 4 14 1 . . . parsed_1juu 4 15 1 . . . parsed_1juu 4 16 1 . . . parsed_1juu 4 17 1 . . . parsed_1juu 4 18 1 . . . parsed_1juu 4 19 1 . . . parsed_1juu 4 20 1 . . . parsed_1juu 4 21 1 . . . parsed_1juu 4 22 1 . . . parsed_1juu 4 23 1 . . . parsed_1juu 4 24 1 . . . parsed_1juu 4 25 1 . . . parsed_1juu 4 26 1 . . . parsed_1juu 4 27 1 . . . parsed_1juu 4 28 1 . . . parsed_1juu 4 29 1 . . . parsed_1juu 4 30 1 . . . parsed_1juu 4 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 . . . . . . . . B 1 C O2 parsed_1juu 4 1 1 2 . . . . . . . . 1 1 C N4 parsed_1juu 4 2 1 1 . . . . . . . . B 1 C N4 parsed_1juu 4 2 1 2 . . . . . . . . 1 1 C O2 parsed_1juu 4 3 1 1 . . . . . . . . B 1 C N3 parsed_1juu 4 3 1 2 . . . . . . . . 1 1 C N3 parsed_1juu 4 4 1 1 . . . . . . . . B 2 C O2 parsed_1juu 4 4 1 2 . . . . . . . . 1 2 C N4 parsed_1juu 4 5 1 1 . . . . . . . . B 2 C N4 parsed_1juu 4 5 1 2 . . . . . . . . 1 2 C O2 parsed_1juu 4 6 1 1 . . . . . . . . B 2 C N3 parsed_1juu 4 6 1 2 . . . . . . . . 1 2 C N3 parsed_1juu 4 7 1 1 . . . . . . . . 1 3 A N6 parsed_1juu 4 7 1 2 . . . . . . . . B 3 T O2 parsed_1juu 4 8 1 1 . . . . . . . . 1 3 A N1 parsed_1juu 4 8 1 2 . . . . . . . . B 3 T N3 parsed_1juu 4 9 1 1 . . . . . . . . 1 4 T O2 parsed_1juu 4 9 1 2 . . . . . . . . B 4 A N6 parsed_1juu 4 10 1 1 . . . . . . . . 1 4 T N3 parsed_1juu 4 10 1 2 . . . . . . . . B 4 A N1 parsed_1juu 4 11 1 1 . . . . . . . . 1 5 A N6 parsed_1juu 4 11 1 2 . . . . . . . . B 5 T O2 parsed_1juu 4 12 1 1 . . . . . . . . 1 5 A N1 parsed_1juu 4 12 1 2 . . . . . . . . B 5 T N3 parsed_1juu 4 13 1 1 . . . . . . . . 1 6 A N6 parsed_1juu 4 13 1 2 . . . . . . . . B 6 T O2 parsed_1juu 4 14 1 1 . . . . . . . . 1 6 A N1 parsed_1juu 4 14 1 2 . . . . . . . . B 6 T N3 parsed_1juu 4 15 1 1 . . . . . . . . 1 7 T O2 parsed_1juu 4 15 1 2 . . . . . . . . B 7 A N6 parsed_1juu 4 16 1 1 . . . . . . . . 1 7 T N3 parsed_1juu 4 16 1 2 . . . . . . . . B 7 A N1 parsed_1juu 4 17 1 1 . . . . . . . . 1 8 T O2 parsed_1juu 4 17 1 2 . . . . . . . . B 8 A N6 parsed_1juu 4 18 1 1 . . . . . . . . 1 8 T N3 parsed_1juu 4 18 1 2 . . . . . . . . B 8 A N1 parsed_1juu 4 19 1 1 . . . . . . . . 1 9 T O2 parsed_1juu 4 19 1 2 . . . . . . . . B 9 A N6 parsed_1juu 4 20 1 1 . . . . . . . . 1 9 T N3 parsed_1juu 4 20 1 2 . . . . . . . . B 9 A N1 parsed_1juu 4 21 1 1 . . . . . . . . 1 10 A N6 parsed_1juu 4 21 1 2 . . . . . . . . B 10 T O2 parsed_1juu 4 22 1 1 . . . . . . . . 1 10 A N1 parsed_1juu 4 22 1 2 . . . . . . . . B 10 T N3 parsed_1juu 4 23 1 1 . . . . . . . . B 11 C O2 parsed_1juu 4 23 1 2 . . . . . . . . 1 11 C N4 parsed_1juu 4 24 1 1 . . . . . . . . B 11 C N4 parsed_1juu 4 24 1 2 . . . . . . . . 1 11 C O2 parsed_1juu 4 25 1 1 . . . . . . . . B 12 C O2 parsed_1juu 4 25 1 2 . . . . . . . . 1 12 C N4 parsed_1juu 4 26 1 1 . . . . . . . . B 12 C N4 parsed_1juu 4 26 1 2 . . . . . . . . 1 12 C O2 parsed_1juu 4 27 1 1 . . . . . . . . B 1 C N3 parsed_1juu 4 27 1 2 . . . . . . . . 1 1 C N3 parsed_1juu 4 28 1 1 . . . . . . . . B 2 C N3 parsed_1juu 4 28 1 2 . . . . . . . . 1 2 C N3 parsed_1juu 4 29 1 1 . . . . . . . . B 11 C N3 parsed_1juu 4 29 1 2 . . . . . . . . 1 11 C N3 parsed_1juu 4 30 1 1 . . . . . . . . B 12 C N3 parsed_1juu 4 30 1 2 . . . . . . . . 1 12 C N3 parsed_1juu 4 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 . . . . . . 2.93 3.10 parsed_1juu 4 2 1 . . . . . . 2.93 3.10 parsed_1juu 4 3 1 . . . . . . 2.93 3.10 parsed_1juu 4 4 1 . . . . . . 2.93 3.10 parsed_1juu 4 5 1 . . . . . . 2.93 3.10 parsed_1juu 4 6 1 . . . . . . 2.93 3.10 parsed_1juu 4 7 1 . . . . . . 2.93 3.10 parsed_1juu 4 8 1 . . . . . . 2.93 3.10 parsed_1juu 4 9 1 . . . . . . 2.93 3.10 parsed_1juu 4 10 1 . . . . . . 2.93 3.10 parsed_1juu 4 11 1 . . . . . . 2.93 3.10 parsed_1juu 4 12 1 . . . . . . 2.93 3.10 parsed_1juu 4 13 1 . . . . . . 2.93 3.10 parsed_1juu 4 14 1 . . . . . . 2.93 3.10 parsed_1juu 4 15 1 . . . . . . 2.93 3.10 parsed_1juu 4 16 1 . . . . . . 2.93 3.10 parsed_1juu 4 17 1 . . . . . . 2.93 3.10 parsed_1juu 4 18 1 . . . . . . 2.93 3.10 parsed_1juu 4 19 1 . . . . . . 2.93 3.10 parsed_1juu 4 20 1 . . . . . . 2.93 3.10 parsed_1juu 4 21 1 . . . . . . 2.93 3.10 parsed_1juu 4 22 1 . . . . . . 2.93 3.10 parsed_1juu 4 23 1 . . . . . . 2.93 3.10 parsed_1juu 4 24 1 . . . . . . 2.93 3.10 parsed_1juu 4 25 1 . . . . . . 2.93 3.10 parsed_1juu 4 26 1 . . . . . . 2.73 3.10 parsed_1juu 4 27 1 . . . . . . 2.93 3.10 parsed_1juu 4 28 1 . . . . . . 2.93 3.10 parsed_1juu 4 29 1 . . . . . . 2.93 3.10 parsed_1juu 4 30 1 . . . . . . 2.93 3.10 parsed_1juu 4 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 "Heavy Atom hydrogen bonding" 1 1 1 28 parsed_1juu 4 stop_ save_ save_Discover_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1juu _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 1 C O3' B 2 C P B 2 C O5' B 2 C C5' parsed_1juu 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 2 C O3' B 3 T P B 3 T O5' B 3 T C5' parsed_1juu 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 3 T O3' B 4 A P B 4 A O5' B 4 A C5' parsed_1juu 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 4 A O3' B 5 T P B 5 T O5' B 5 T C5' parsed_1juu 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 5 T O3' B 6 T P B 6 T O5' B 6 T C5' parsed_1juu 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 6 T O3' B 7 A P B 7 A O5' B 7 A C5' parsed_1juu 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 7 A O3' B 8 A P B 8 A O5' B 8 A C5' parsed_1juu 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 8 A O3' B 9 A P B 9 A O5' B 9 A C5' parsed_1juu 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 9 A O3' B 10 T P B 10 T O5' B 10 T C5' parsed_1juu 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 10 T O3' B 11 C P B 11 C O5' B 11 C C5' parsed_1juu 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 11 C O3' B 12 C P B 12 C O5' B 12 C C5' parsed_1juu 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 1 C O3' 1 2 C P 1 2 C O5' 1 2 C C5' parsed_1juu 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 2 C O3' 1 3 A P 1 3 A O5' 1 3 A C5' parsed_1juu 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 3 A O3' 1 4 T P 1 4 T O5' 1 4 T C5' parsed_1juu 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 4 T O3' 1 5 A P 1 5 A O5' 1 5 A C5' parsed_1juu 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 5 A O3' 1 6 A P 1 6 A O5' 1 6 A C5' parsed_1juu 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 6 A O3' 1 7 T P 1 7 T O5' 1 7 T C5' parsed_1juu 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 7 T O3' 1 8 T P 1 8 T O5' 1 8 T C5' parsed_1juu 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 8 T O3' 1 9 T P 1 9 T O5' 1 9 T C5' parsed_1juu 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 9 T O3' 1 10 A P 1 10 A O5' 1 10 A C5' parsed_1juu 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 10 A O3' 1 11 C P 1 11 C O5' 1 11 C C5' parsed_1juu 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 11 C O3' 1 12 C P 1 12 C O5' 1 12 C C5' parsed_1juu 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 1 C P B 1 C O5' B 1 C C5' B 1 C C4' parsed_1juu 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 2 C P B 2 C O5' B 2 C C5' B 2 C C4' parsed_1juu 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 3 T P B 3 T O5' B 3 T C5' B 3 T C4' parsed_1juu 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 4 A P B 4 A O5' B 4 A C5' B 4 A C4' parsed_1juu 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 5 T P B 5 T O5' B 5 T C5' B 5 T C4' parsed_1juu 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 6 T P B 6 T O5' B 6 T C5' B 6 T C4' parsed_1juu 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 7 A P B 7 A O5' B 7 A C5' B 7 A C4' parsed_1juu 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 8 A P B 8 A O5' B 8 A C5' B 8 A C4' parsed_1juu 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 9 A P B 9 A O5' B 9 A C5' B 9 A C4' parsed_1juu 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 10 T P B 10 T O5' B 10 T C5' B 10 T C4' parsed_1juu 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 11 C P B 11 C O5' B 11 C C5' B 11 C C4' parsed_1juu 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . B 12 C P B 12 C O5' B 12 C C5' B 12 C C4' parsed_1juu 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 1 C P 1 1 C O5' 1 1 C C5' 1 1 C C4' parsed_1juu 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 2 C P 1 2 C O5' 1 2 C C5' 1 2 C C4' parsed_1juu 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 3 A P 1 3 A O5' 1 3 A C5' 1 3 A C4' parsed_1juu 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 4 T P 1 4 T O5' 1 4 T C5' 1 4 T C4' parsed_1juu 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 5 A P 1 5 A O5' 1 5 A C5' 1 5 A C4' parsed_1juu 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 6 A P 1 6 A O5' 1 6 A C5' 1 6 A C4' parsed_1juu 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 7 T P 1 7 T O5' 1 7 T C5' 1 7 T C4' parsed_1juu 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 8 T P 1 8 T O5' 1 8 T C5' 1 8 T C4' parsed_1juu 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 9 T P 1 9 T O5' 1 9 T C5' 1 9 T C4' parsed_1juu 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 10 A P 1 10 A O5' 1 10 A C5' 1 10 A C4' parsed_1juu 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 11 C P 1 11 C O5' 1 11 C C5' 1 11 C C4' parsed_1juu 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150 210 . 1 12 C P 1 12 C O5' 1 12 C C5' 1 12 C C4' parsed_1juu 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 1 C O5' B 1 C C5' B 1 C C4' B 1 C C3' parsed_1juu 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 2 C O5' B 2 C C5' B 2 C C4' B 2 C C3' parsed_1juu 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 3 T O5' B 3 T C5' B 3 T C4' B 3 T C3' parsed_1juu 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 4 A O5' B 4 A C5' B 4 A C4' B 4 A C3' parsed_1juu 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 5 T O5' B 5 T C5' B 5 T C4' B 5 T C3' parsed_1juu 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 6 T O5' B 6 T C5' B 6 T C4' B 6 T C3' parsed_1juu 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 7 A O5' B 7 A C5' B 7 A C4' B 7 A C3' parsed_1juu 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 8 A O5' B 8 A C5' B 8 A C4' B 8 A C3' parsed_1juu 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 9 A O5' B 9 A C5' B 9 A C4' B 9 A C3' parsed_1juu 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 10 T O5' B 10 T C5' B 10 T C4' B 10 T C3' parsed_1juu 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 11 C O5' B 11 C C5' B 11 C C4' B 11 C C3' parsed_1juu 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . B 12 C O5' B 12 C C5' B 12 C C4' B 12 C C3' parsed_1juu 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 1 C O5' 1 1 C C5' 1 1 C C4' 1 1 C C3' parsed_1juu 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 2 C O5' 1 2 C C5' 1 2 C C4' 1 2 C C3' parsed_1juu 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 3 A C3' parsed_1juu 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 4 T O5' 1 4 T C5' 1 4 T C4' 1 4 T C3' parsed_1juu 1 63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 5 A O5' 1 5 A C5' 1 5 A C4' 1 5 A C3' parsed_1juu 1 64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 6 A O5' 1 6 A C5' 1 6 A C4' 1 6 A C3' parsed_1juu 1 65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 7 T O5' 1 7 T C5' 1 7 T C4' 1 7 T C3' parsed_1juu 1 66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 8 T O5' 1 8 T C5' 1 8 T C4' 1 8 T C3' parsed_1juu 1 67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 9 T O5' 1 9 T C5' 1 9 T C4' 1 9 T C3' parsed_1juu 1 68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 10 A O5' 1 10 A C5' 1 10 A C4' 1 10 A C3' parsed_1juu 1 69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 11 C O5' 1 11 C C5' 1 11 C C4' 1 11 C C3' parsed_1juu 1 70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . 1 12 C O5' 1 12 C C5' 1 12 C C4' 1 12 C C3' parsed_1juu 1 71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 1 C C5' B 1 C C4' B 1 C C3' B 1 C O3' parsed_1juu 1 72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 2 C C5' B 2 C C4' B 2 C C3' B 2 C O3' parsed_1juu 1 73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 3 T C5' B 3 T C4' B 3 T C3' B 3 T O3' parsed_1juu 1 74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 4 A C5' B 4 A C4' B 4 A C3' B 4 A O3' parsed_1juu 1 75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 5 T C5' B 5 T C4' B 5 T C3' B 5 T O3' parsed_1juu 1 76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 6 T C5' B 6 T C4' B 6 T C3' B 6 T O3' parsed_1juu 1 77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 7 A C5' B 7 A C4' B 7 A C3' B 7 A O3' parsed_1juu 1 78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 8 A C5' B 8 A C4' B 8 A C3' B 8 A O3' parsed_1juu 1 79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 9 A C5' B 9 A C4' B 9 A C3' B 9 A O3' parsed_1juu 1 80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 10 T C5' B 10 T C4' B 10 T C3' B 10 T O3' parsed_1juu 1 81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 11 C C5' B 11 C C4' B 11 C C3' B 11 C O3' parsed_1juu 1 82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . B 12 C C5' B 12 C C4' B 12 C C3' B 12 C O3' parsed_1juu 1 83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 1 C C5' 1 1 C C4' 1 1 C C3' 1 1 C O3' parsed_1juu 1 84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 2 C C5' 1 2 C C4' 1 2 C C3' 1 2 C O3' parsed_1juu 1 85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 3 A O3' parsed_1juu 1 86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 4 T C5' 1 4 T C4' 1 4 T C3' 1 4 T O3' parsed_1juu 1 87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 5 A C5' 1 5 A C4' 1 5 A C3' 1 5 A O3' parsed_1juu 1 88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 6 A C5' 1 6 A C4' 1 6 A C3' 1 6 A O3' parsed_1juu 1 89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 7 T C5' 1 7 T C4' 1 7 T C3' 1 7 T O3' parsed_1juu 1 90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 8 T C5' 1 8 T C4' 1 8 T C3' 1 8 T O3' parsed_1juu 1 91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 9 T C5' 1 9 T C4' 1 9 T C3' 1 9 T O3' parsed_1juu 1 92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 10 A C5' 1 10 A C4' 1 10 A C3' 1 10 A O3' parsed_1juu 1 93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 11 C C5' 1 11 C C4' 1 11 C C3' 1 11 C O3' parsed_1juu 1 94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 160 . 1 12 C C5' 1 12 C C4' 1 12 C C3' 1 12 C O3' parsed_1juu 1 95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 1 C C4' B 1 C C3' B 1 C O3' B 2 C P parsed_1juu 1 96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 2 C C4' B 2 C C3' B 2 C O3' B 3 T P parsed_1juu 1 97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 3 T C4' B 3 T C3' B 3 T O3' B 4 A P parsed_1juu 1 98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 4 A C4' B 4 A C3' B 4 A O3' B 5 T P parsed_1juu 1 99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 5 T C4' B 5 T C3' B 5 T O3' B 6 T P parsed_1juu 1 100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 6 T C4' B 6 T C3' B 6 T O3' B 7 A P parsed_1juu 1 101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 7 A C4' B 7 A C3' B 7 A O3' B 8 A P parsed_1juu 1 102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 8 A C4' B 8 A C3' B 8 A O3' B 9 A P parsed_1juu 1 103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 9 A C4' B 9 A C3' B 9 A O3' B 10 T P parsed_1juu 1 104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 10 T C4' B 10 T C3' B 10 T O3' B 11 C P parsed_1juu 1 105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . B 11 C C4' B 11 C C3' B 11 C O3' B 12 C P parsed_1juu 1 106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 1 C C4' 1 1 C C3' 1 1 C O3' 1 2 C P parsed_1juu 1 107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 2 C C4' 1 2 C C3' 1 2 C O3' 1 3 A P parsed_1juu 1 108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 4 T P parsed_1juu 1 109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 4 T C4' 1 4 T C3' 1 4 T O3' 1 5 A P parsed_1juu 1 110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 5 A C4' 1 5 A C3' 1 5 A O3' 1 6 A P parsed_1juu 1 111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 6 A C4' 1 6 A C3' 1 6 A O3' 1 7 T P parsed_1juu 1 112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 7 T C4' 1 7 T C3' 1 7 T O3' 1 8 T P parsed_1juu 1 113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 8 T C4' 1 8 T C3' 1 8 T O3' 1 9 T P parsed_1juu 1 114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 9 T C4' 1 9 T C3' 1 9 T O3' 1 10 A P parsed_1juu 1 115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 10 A C4' 1 10 A C3' 1 10 A O3' 1 11 C P parsed_1juu 1 116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 240 . 1 11 C C4' 1 11 C C3' 1 11 C O3' 1 12 C P parsed_1juu 1 117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 1 C C3' B 1 C O3' B 2 C P B 2 C O5' parsed_1juu 1 118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 2 C C3' B 2 C O3' B 3 T P B 3 T O5' parsed_1juu 1 119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 3 T C3' B 3 T O3' B 4 A P B 4 A O5' parsed_1juu 1 120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 4 A C3' B 4 A O3' B 5 T P B 5 T O5' parsed_1juu 1 121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 5 T C3' B 5 T O3' B 6 T P B 6 T O5' parsed_1juu 1 122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 6 T C3' B 6 T O3' B 7 A P B 7 A O5' parsed_1juu 1 123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 7 A C3' B 7 A O3' B 8 A P B 8 A O5' parsed_1juu 1 124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 8 A C3' B 8 A O3' B 9 A P B 9 A O5' parsed_1juu 1 125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 9 A C3' B 9 A O3' B 10 T P B 10 T O5' parsed_1juu 1 126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 10 T C3' B 10 T O3' B 11 C P B 11 C O5' parsed_1juu 1 127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . B 11 C C3' B 11 C O3' B 12 C P B 12 C O5' parsed_1juu 1 128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 1 C C3' 1 1 C O3' 1 2 C P 1 2 C O5' parsed_1juu 1 129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 2 C C3' 1 2 C O3' 1 3 A P 1 3 A O5' parsed_1juu 1 130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 3 A C3' 1 3 A O3' 1 4 T P 1 4 T O5' parsed_1juu 1 131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 4 T C3' 1 4 T O3' 1 5 A P 1 5 A O5' parsed_1juu 1 132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 5 A C3' 1 5 A O3' 1 6 A P 1 6 A O5' parsed_1juu 1 133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 6 A C3' 1 6 A O3' 1 7 T P 1 7 T O5' parsed_1juu 1 134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 7 T C3' 1 7 T O3' 1 8 T P 1 8 T O5' parsed_1juu 1 135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 8 T C3' 1 8 T O3' 1 9 T P 1 9 T O5' parsed_1juu 1 136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 9 T C3' 1 9 T O3' 1 10 A P 1 10 A O5' parsed_1juu 1 137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 10 A C3' 1 10 A O3' 1 11 C P 1 11 C O5' parsed_1juu 1 138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 260 310 . 1 11 C C3' 1 11 C O3' 1 12 C P 1 12 C O5' parsed_1juu 1 139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 1 C O4' B 1 C C1' B 1 C N1 B 1 C C6 parsed_1juu 1 140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 2 C O4' B 2 C C1' B 2 C N1 B 2 C C6 parsed_1juu 1 141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 3 T O4' B 3 T C1' B 3 T N1 B 3 T C6 parsed_1juu 1 142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 4 A O4' B 4 A C1' B 4 A N9 B 4 A C8 parsed_1juu 1 143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 5 T O4' B 5 T C1' B 5 T N1 B 5 T C6 parsed_1juu 1 144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 6 T O4' B 6 T C1' B 6 T N1 B 6 T C6 parsed_1juu 1 145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 7 A O4' B 7 A C1' B 7 A N9 B 7 A C8 parsed_1juu 1 146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 8 A O4' B 8 A C1' B 8 A N9 B 8 A C8 parsed_1juu 1 147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 9 A O4' B 9 A C1' B 9 A N9 B 9 A C8 parsed_1juu 1 148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 10 T O4' B 10 T C1' B 10 T N1 B 10 T C6 parsed_1juu 1 149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 11 C O4' B 11 C C1' B 11 C N1 B 11 C C6 parsed_1juu 1 150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . B 12 C O4' B 12 C C1' B 12 C N1 B 12 C C6 parsed_1juu 1 151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 1 C O4' 1 1 C C1' 1 1 C N1 1 1 C C6 parsed_1juu 1 152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 2 C O4' 1 2 C C1' 1 2 C N1 1 2 C C6 parsed_1juu 1 153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 3 A O4' 1 3 A C1' 1 3 A N9 1 3 A C8 parsed_1juu 1 154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 4 T O4' 1 4 T C1' 1 4 T N1 1 4 T C6 parsed_1juu 1 155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 5 A O4' 1 5 A C1' 1 5 A N9 1 5 A C8 parsed_1juu 1 156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 6 A O4' 1 6 A C1' 1 6 A N9 1 6 A C8 parsed_1juu 1 157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 7 T O4' 1 7 T C1' 1 7 T N1 1 7 T C6 parsed_1juu 1 158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 8 T O4' 1 8 T C1' 1 8 T N1 1 8 T C6 parsed_1juu 1 159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 9 T O4' 1 9 T C1' 1 9 T N1 1 9 T C6 parsed_1juu 1 160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 10 A O4' 1 10 A C1' 1 10 A N9 1 10 A C8 parsed_1juu 1 161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 11 C O4' 1 11 C C1' 1 11 C N1 1 11 C C6 parsed_1juu 1 162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 80 . 1 12 C O4' 1 12 C C1' 1 12 C N1 1 12 C C6 parsed_1juu 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 ; NMR_dihedral alpa ; 1 1 2 5 parsed_1juu 1 2 "1:C_1:O3' 1:C_1:P 1:C_1:O5' 1:C_1:C5' 260 310 20 20 1000" 14 1 15 58 parsed_1juu 1 3 beta 27 1 27 5 parsed_1juu 1 4 gama 53 1 53 5 parsed_1juu 1 5 delta 79 1 79 6 parsed_1juu 1 6 epsilon 105 1 105 8 parsed_1juu 1 7 zeta 129 1 129 5 parsed_1juu 1 8 chi 153 1 153 4 parsed_1juu 1 stop_ save_
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