data_21097 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 21097 _Entry.Title ; Structure of fungicidal Amphotericin B Sponge ; _Entry.Type 'natural product' _Entry.Version_type new _Entry.Submission_date 2021-04-23 _Entry.Accession_date 2021-05-12 _Entry.Last_release_date 2021-05-12 _Entry.Original_release_date 2021-05-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Agnieszka Lewandowska . B . . 21097 2 Corinne Soutar . P . . 21097 3 Alexander Greenwood . I . . 21097 4 Evgeny Nimerovsky . . . . 21097 5 Ashley 'De Lio' . M . . 21097 6 Jordan Holler . T . . 21097 7 Grant Hisao . S . . 21097 8 Anuj Khandelwal . . . . 21097 9 Jiabao Zhang . . . . 21097 10 Anna SantaMaria . M . . 21097 11 Charles Schwieters . D . . 21097 12 Taras Pogorelov . V . . 21097 13 Martin Burke . D . . 21097 14 Chad Rienstra . M . . 21097 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 21097 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Aggregate . 21097 'Amphotericin B' . 21097 Antifungal . 21097 'Polyene Macrolide' . 21097 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 21097 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 66 21097 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-09-28 . original BMRB . 21097 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 21097 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Fungicidal Amphotericin B Sponges are Assemblies of Staggered Asymmetric Head-to-Tail Homodimers Encasing Large Void Volumes ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Agnieszka Lewandowska . B . . 21097 1 2 Corinne Soutar . P . . 21097 1 3 Alexander Greenwood . I . . 21097 1 4 Evgeny Nimerovsky . . . . 21097 1 5 Ashley 'De Lio' . M . . 21097 1 6 Jordan Holler . T . . 21097 1 7 Grant Hisao . S . . 21097 1 8 Anuj Khandelwal . . . . 21097 1 9 Jiabao Zhang . . . . 21097 1 10 Anna SantaMaria . M . . 21097 1 11 Charles Schwieters . D . . 21097 1 12 Taras Pogorelov . V . . 21097 1 13 Martin Burke . D . . 21097 1 14 Chad Rienstra . M . . 21097 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 21097 _Assembly.ID 1 _Assembly.Name 'Amphotericin B Sponge' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 AMFA 1 $AmB A . yes native no no . . . 21097 1 2 AMFB 1 $AmB B . yes native no no . . . 21097 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Antifungal 21097 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AmB _Entity.Sf_category entity _Entity.Sf_framecode AmB _Entity.Entry_ID 21097 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AmB _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Amphotericin b' common 21097 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 UVR . 21097 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . UVR 1 1 21097 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 21097 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AmB . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 21097 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 21097 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AmB . 'chemical synthesis' . . . . . . . . . . . . . . . . 21097 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_Amphotericin_B _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_Amphotericin_B _Chem_comp.Entry_ID 21097 _Chem_comp.ID UVR _Chem_comp.Provenance PubChem _Chem_comp.Name 'Amphotericin b' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code UVR _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2005-06-24 _Chem_comp.Modified_date 2021-05-15 _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code X _Chem_comp.Three_letter_code UVR _Chem_comp.Number_atoms_all 138 _Chem_comp.Number_atoms_nh 65 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code 5280965 _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula C47H73NO17 _Chem_comp.Formula_weight 924.1 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name AmB_Numbering_Diagram.jpg _Chem_comp.Image_file_format jpeg _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID APKFDSVGJQXUKY-INPOYWNPSA-N InChIKey InChI 1.0.5 21097 UVR CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O SMILES_CANONICAL OEChem 2.1.5 21097 UVR ; C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O ; SMILES_ISOMERIC OEChem 2.1.5 21097 UVR ; InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 ; InChI InChI 1.0.5 21097 UVR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_U13C_AmB _Sample.Sf_category sample _Sample.Sf_framecode U13C_AmB _Sample.Entry_ID 21097 _Sample.ID 1 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details 'wet powder, [U-100% 13C]' _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% HEPES buffer' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Amphotericin B' [U-13C] 1 $assembly 1 $AmB . . 100 . . % 2 . . . 21097 1 stop_ save_ save_20_U13C_AmB _Sample.Sf_category sample _Sample.Sf_framecode 20_U13C_AmB _Sample.Entry_ID 21097 _Sample.ID 2 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details 'wet powder, [U-20% 13C]' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '10% HEPES buffer' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Amphotericin B U-13C' [U-13C] 1 $assembly 1 $AmB . . 20 . . % 2 . . . 21097 2 2 'Amphotericin B NA' 'natural abundance' 1 $assembly 1 $AmB . . 80 . . % 2 . . . 21097 2 stop_ save_ save_skip13C_AmB _Sample.Sf_category sample _Sample.Sf_framecode skip13C_AmB _Sample.Entry_ID 21097 _Sample.ID 3 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details 'wet powder, skip-13C' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '10% HEPES buffer' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Amphotericin B' skip-13C 1 $assembly 1 $AmB . . 100 . . % 2 . . . 21097 3 stop_ save_ ####################### # Sample conditions # ####################### save_AmB_100_U-13C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode AmB_100_U-13C _Sample_condition_list.Entry_ID 21097 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'wet powder, prepared in 10 mM HEPES buffer' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 21097 1 temperature 273.15 . K 21097 1 stop_ save_ save_AmB_20_U-13C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode AmB_20_U-13C _Sample_condition_list.Entry_ID 21097 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details 'wet powder, prepared in 10 mM HEPES buffer' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 21097 2 temperature 273.15 . K 21097 2 stop_ save_ save_AmB_skip-13C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode AmB_skip-13C _Sample_condition_list.Entry_ID 21097 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _Sample_condition_list.Details 'wet powder, prepared in 10 mM HEPES buffer' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 21097 3 temperature 273.15 . K 21097 3 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 21097 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Frank Delaglio, Stephan Grzesiek, Geerten. W. Vuister, Guang Zhu, John. Pfeifer, and Ad Bax, J. Biomol. NMR. 6, 277-293 (1995).' . . 21097 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 21097 1 stop_ save_ save_NMRFAM-SPARKY _Software.Sf_category software _Software.Sf_framecode NMRFAM-SPARKY _Software.Entry_ID 21097 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL. Bioinformatics. 2015 Apr 15; 31(8):1325-7. Epub 2014' . . 21097 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 21097 2 stop_ save_ save_VnmrJ _Software.Sf_category software _Software.Sf_framecode VnmrJ _Software.Entry_ID 21097 _Software.ID 3 _Software.Type . _Software.Name VnmrJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Agilent Technologies, Inc. 2014' . . 21097 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 21097 3 stop_ save_ save_SpinSight _Software.Sf_category software _Software.Sf_framecode SpinSight _Software.Entry_ID 21097 _Software.ID 4 _Software.Type . _Software.Name SpinSight _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Agilent Technologies, Inc. 2014' . . 21097 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 21097 4 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 21097 _Software.ID 5 _Software.Type . _Software.Name XPLOR-NIH _Software.Version 2.53 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, C. D., Kuszewski, J. J. & Marius Clore, G. Progress in Nuclear Magnetic Resonance Spectroscopy (2006)' . . 21097 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculations' . 21097 5 stop_ save_ save_Matlab _Software.Sf_category software _Software.Sf_framecode Matlab _Software.Entry_ID 21097 _Software.ID 6 _Software.Type . _Software.Name Matlab _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'MATLAB R2015a. (2015).' . . 21097 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 21097 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_750wb _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_750wb _NMR_spectrometer.Entry_ID 21097 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_600wb _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_600wb _NMR_spectrometer.Entry_ID 21097 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model InfinityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_600nb _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_600nb _NMR_spectrometer.Entry_ID 21097 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model InfinityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 21097 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_750wb Varian VNMRS . 750 'wide bore' . . 21097 1 2 NMR_spectrometer_600wb Varian InfinityPlus . 600 'wide bore' . . 21097 1 3 NMR_spectrometer_600nb Varian InfinityPlus . 600 'narrow bore' . . 21097 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 21097 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 13C-13C SPC q60' no . . . . . . . . . . . . 1 $U13C_AmB isotropic . . 1 $AmB_100_U-13C . . . 1 $NMR_spectrometer_750wb . . . . . . . . . . . . . . . . . 21097 1 2 '2D 13C-13C SPC DARR 50 ms' no . . . . . . . . . . . . 1 $U13C_AmB isotropic . . 1 $AmB_100_U-13C . . . 1 $NMR_spectrometer_750wb . . . . . . . . . . . . . . . . . 21097 1 3 '2D 13C-13C SPC DARR 100 ms' no . . . . . . . . . . . . 1 $U13C_AmB isotropic . . 1 $AmB_100_U-13C . . . 1 $NMR_spectrometer_750wb . . . . . . . . . . . . . . . . . 21097 1 4 '2D 13C-13C SPC DARR 200 ms' no . . . . . . . . . . . . 1 $U13C_AmB isotropic . . 1 $AmB_100_U-13C . . . 1 $NMR_spectrometer_750wb . . . . . . . . . . . . . . . . . 21097 1 5 '2D 13C-13C SPC DARR 500 ms' no . . . . . . . . . . . . 3 $skip13C_AmB isotropic . . 3 $AmB_skip-13C . . . 2 $NMR_spectrometer_600wb . . . . . . . . . . . . . . . . . 21097 1 6 '2D 13C-13C SPC DARR 900 ms' no . . . . . . . . . . . . 1 $U13C_AmB isotropic . . 1 $AmB_100_U-13C . . . 1 $NMR_spectrometer_750wb . . . . . . . . . . . . . . . . . 21097 1 7 '2D 13C-13C SPC DARR 1000 ms' no . . . . . . . . . . . . 3 $skip13C_AmB isotropic . . 3 $AmB_skip-13C . . . 2 $NMR_spectrometer_600wb . . . . . . . . . . . . . . . . . 21097 1 8 '2D 13C-13C SPC DARR 1500 ms' no . . . . . . . . . . . . 3 $skip13C_AmB isotropic . . 3 $AmB_skip-13C . . . 2 $NMR_spectrometer_600wb . . . . . . . . . . . . . . . . . 21097 1 9 '2D 13C-13C SPC PAR 5.5 ms' no . . . . . . . . . . . . 1 $U13C_AmB isotropic . . 1 $AmB_100_U-13C . . . 1 $NMR_spectrometer_750wb . . . . . . . . . . . . . . . . . 21097 1 10 '2D 13C-13C SPC PAR 11 ms' no . . . . . . . . . . . . 1 $U13C_AmB isotropic . . 1 $AmB_100_U-13C . . . 1 $NMR_spectrometer_750wb . . . . . . . . . . . . . . . . . 21097 1 11 '3D 13C-13C-13C SPC5 DARR 200 ms' no . . . . . . . . . . . . 1 $U13C_AmB isotropic . . 1 $AmB_100_U-13C . . . 1 $NMR_spectrometer_750wb . . . . . . . . . . . . . . . . . 21097 1 12 '3D 13C-13C-13C SPC5 PAR 11 ms' no . . . . . . . . . . . . 1 $U13C_AmB isotropic . . 1 $AmB_100_U-13C . . . 1 $NMR_spectrometer_750wb . . . . . . . . . . . . . . . . . 21097 1 13 '2D 14N-13C PM-RESPDOR' no . . . . . . . . . . . . 3 $skip13C_AmB isotropic . . 3 $AmB_skip-13C . . . 3 $NMR_spectrometer_600nb . . . . . . . . . . . . . . . . . 21097 1 14 '2D 13C-13C PAR DIL 11 ms' no . . . . . . . . . . . . 2 $20_U13C_AmB isotropic . . 2 $AmB_20_U-13C . . . 3 $NMR_spectrometer_600nb . . . . . . . . . . . . . . . . . 21097 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 21097 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 adamantane 'methylene carbons' . . . . ppm 40.48 external direct 1 . . . . . 21097 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 21097 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $AmB_100_U-13C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 13C-13C SPC q60' 1 $U13C_AmB isotropic 21097 1 2 '2D 13C-13C SPC DARR 50 ms' 1 $U13C_AmB isotropic 21097 1 3 '2D 13C-13C SPC DARR 100 ms' 1 $U13C_AmB isotropic 21097 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRFAM-SPARKY . . 21097 1 3 $VnmrJ . . 21097 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 UVR C1 C 13 175.292 0.067 . 1 . . . . . 1 AMF C1 . 21097 1 2 . 1 . 1 1 1 UVR C2 C 13 41.061 0.119 . 1 . . . . . 1 AMF C2 . 21097 1 3 . 1 . 1 1 1 UVR C3 C 13 71.011 0.049 . 1 . . . . . 1 AMF C3 . 21097 1 4 . 1 . 1 1 1 UVR C4 C 13 44.088 0.053 . 1 . . . . . 1 AMF C4 . 21097 1 5 . 1 . 1 1 1 UVR C5 C 13 74.262 0.063 . 1 . . . . . 1 AMF C5 . 21097 1 6 . 1 . 1 1 1 UVR C6 C 13 35.656 0.019 . 1 . . . . . 1 AMF C6 . 21097 1 7 . 1 . 1 1 1 UVR C7 C 13 32.748 0.037 . 1 . . . . . 1 AMF C7 . 21097 1 8 . 1 . 1 1 1 UVR C8 C 13 74.295 0.013 . 1 . . . . . 1 AMF C8 . 21097 1 9 . 1 . 1 1 1 UVR C9 C 13 79.602 0.042 . 1 . . . . . 1 AMF C9 . 21097 1 10 . 1 . 1 1 1 UVR C10 C 13 41.077 0.063 . 1 . . . . . 1 AMF C10 . 21097 1 11 . 1 . 1 1 1 UVR C11 C 13 72.806 0.064 . 1 . . . . . 1 AMF C11 . 21097 1 12 . 1 . 1 1 1 UVR C12 C 13 46.837 0.070 . 1 . . . . . 1 AMF C12 . 21097 1 13 . 1 . 1 1 1 UVR C13 C 13 100.276 0.115 . 1 . . . . . 1 AMF C13 . 21097 1 14 . 1 . 1 1 1 UVR C14 C 13 46.810 0.022 . 1 . . . . . 1 AMF C14 . 21097 1 15 . 1 . 1 1 1 UVR C15 C 13 69.412 0.145 . 1 . . . . . 1 AMF C15 . 21097 1 16 . 1 . 1 1 1 UVR C16 C 13 60.450 0.045 . 1 . . . . . 1 AMF C16 . 21097 1 17 . 1 . 1 1 1 UVR C17 C 13 67.974 0.018 . 1 . . . . . 1 AMF C17 . 21097 1 18 . 1 . 1 1 1 UVR C18 C 13 39.968 0.091 . 1 . . . . . 1 AMF C18 . 21097 1 19 . 1 . 1 1 1 UVR C19 C 13 83.668 0.000 . 1 . . . . . 1 AMF C19 . 21097 1 20 . 1 . 1 1 1 UVR C34 C 13 45.582 0.046 . 1 . . . . . 1 AMF C34 . 21097 1 21 . 1 . 1 1 1 UVR C35 C 13 78.639 0.021 . 1 . . . . . 1 AMF C35 . 21097 1 22 . 1 . 1 1 1 UVR C36 C 13 42.592 0.047 . 1 . . . . . 1 AMF C36 . 21097 1 23 . 1 . 1 1 1 UVR C37 C 13 71.881 0.076 . 1 . . . . . 1 AMF C37 . 21097 1 24 . 1 . 1 1 1 UVR C38 C 13 19.324 0.098 . 1 . . . . . 1 AMF C38 . 21097 1 25 . 1 . 1 1 1 UVR C39 C 13 12.728 0.153 . 1 . . . . . 1 AMF C39 . 21097 1 26 . 1 . 1 1 1 UVR C40 C 13 23.300 0.025 . 1 . . . . . 1 AMF C40 . 21097 1 27 . 1 . 1 1 1 UVR C41 C 13 182.595 0.012 . 1 . . . . . 1 AMF C41 . 21097 1 28 . 1 . 1 1 1 UVR C101 C 13 100.641 0.056 . 1 . . . . . 1 AMF C101 . 21097 1 29 . 1 . 1 1 1 UVR C102 C 13 70.810 0.021 . 1 . . . . . 1 AMF C102 . 21097 1 30 . 1 . 1 1 1 UVR C103 C 13 57.715 0.105 . 1 . . . . . 1 AMF C103 . 21097 1 31 . 1 . 1 1 1 UVR C104 C 13 70.855 0.064 . 1 . . . . . 1 AMF C104 . 21097 1 32 . 1 . 1 1 1 UVR C105 C 13 75.621 0.295 . 1 . . . . . 1 AMF C105 . 21097 1 33 . 1 . 1 1 1 UVR C106 C 13 19.425 0.096 . 1 . . . . . 1 AMF C106 . 21097 1 34 . 2 . 1 1 1 UVR C1 C 13 173.530 0.029 . 1 . . . . . 2 AMF C1 . 21097 1 35 . 2 . 1 1 1 UVR C2 C 13 45.364 0.093 . 1 . . . . . 2 AMF C2 . 21097 1 36 . 2 . 1 1 1 UVR C3 C 13 71.164 0.034 . 1 . . . . . 2 AMF C3 . 21097 1 37 . 2 . 1 1 1 UVR C4 C 13 45.415 0.066 . 1 . . . . . 2 AMF C4 . 21097 1 38 . 2 . 1 1 1 UVR C5 C 13 78.068 0.041 . 1 . . . . . 2 AMF C5 . 21097 1 39 . 2 . 1 1 1 UVR C6 C 13 39.810 0.068 . 1 . . . . . 2 AMF C6 . 21097 1 40 . 2 . 1 1 1 UVR C7 C 13 36.991 0.085 . 1 . . . . . 2 AMF C7 . 21097 1 41 . 2 . 1 1 1 UVR C8 C 13 76.623 0.066 . 1 . . . . . 2 AMF C8 . 21097 1 42 . 2 . 1 1 1 UVR C9 C 13 78.482 0.095 . 1 . . . . . 2 AMF C9 . 21097 1 43 . 2 . 1 1 1 UVR C10 C 13 42.460 0.075 . 1 . . . . . 2 AMF C10 . 21097 1 44 . 2 . 1 1 1 UVR C11 C 13 72.573 0.037 . 1 . . . . . 2 AMF C11 . 21097 1 45 . 2 . 1 1 1 UVR C12 C 13 47.909 0.058 . 1 . . . . . 2 AMF C12 . 21097 1 46 . 2 . 1 1 1 UVR C13 C 13 100.551 0.074 . 1 . . . . . 2 AMF C13 . 21097 1 47 . 2 . 1 1 1 UVR C14 C 13 45.252 0.059 . 1 . . . . . 2 AMF C14 . 21097 1 48 . 2 . 1 1 1 UVR C15 C 13 69.581 0.045 . 1 . . . . . 2 AMF C15 . 21097 1 49 . 2 . 1 1 1 UVR C16 C 13 60.444 0.043 . 1 . . . . . 2 AMF C16 . 21097 1 50 . 2 . 1 1 1 UVR C17 C 13 67.994 0.028 . 1 . . . . . 2 AMF C17 . 21097 1 51 . 2 . 1 1 1 UVR C18 C 13 40.031 0.075 . 1 . . . . . 2 AMF C18 . 21097 1 52 . 2 . 1 1 1 UVR C19 C 13 83.701 0.068 . 1 . . . . . 2 AMF C19 . 21097 1 53 . 2 . 1 1 1 UVR C34 C 13 45.625 0.081 . 1 . . . . . 2 AMF C34 . 21097 1 54 . 2 . 1 1 1 UVR C35 C 13 78.584 0.062 . 1 . . . . . 2 AMF C35 . 21097 1 55 . 2 . 1 1 1 UVR C36 C 13 42.608 0.054 . 1 . . . . . 2 AMF C36 . 21097 1 56 . 2 . 1 1 1 UVR C37 C 13 74.270 0.038 . 1 . . . . . 2 AMF C37 . 21097 1 57 . 2 . 1 1 1 UVR C38 C 13 20.185 0.067 . 1 . . . . . 2 AMF C38 . 21097 1 58 . 2 . 1 1 1 UVR C39 C 13 12.806 0.098 . 1 . . . . . 2 AMF C39 . 21097 1 59 . 2 . 1 1 1 UVR C40 C 13 23.355 0.100 . 1 . . . . . 2 AMF C40 . 21097 1 60 . 2 . 1 1 1 UVR C41 C 13 182.595 0.012 . 1 . . . . . 2 AMF C41 . 21097 1 61 . 2 . 1 1 1 UVR C101 C 13 100.660 0.076 . 1 . . . . . 2 AMF C101 . 21097 1 62 . 2 . 1 1 1 UVR C102 C 13 70.812 0.020 . 1 . . . . . 2 AMF C102 . 21097 1 63 . 2 . 1 1 1 UVR C103 C 13 57.719 0.103 . 1 . . . . . 2 AMF C103 . 21097 1 64 . 2 . 1 1 1 UVR C104 C 13 70.862 0.055 . 1 . . . . . 2 AMF C104 . 21097 1 65 . 2 . 1 1 1 UVR C105 C 13 75.736 0.089 . 1 . . . . . 2 AMF C105 . 21097 1 66 . 2 . 1 1 1 UVR C106 C 13 20.255 0.073 . 1 . . . . . 2 AMF C106 . 21097 1 stop_ save_