data_19859 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19859 _Entry.Title ; Solution structure of the mature form, GK cecropin-like peptide from Ae. aegypti mosquito ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-16 _Entry.Accession_date 2014-03-16 _Entry.Last_release_date 2015-01-26 _Entry.Original_release_date 2015-01-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Andre Padilla . . . 19859 2 Dorothee Misse . . . 19859 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' . 19859 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Aedes aegypti' . 19859 'antimicrobial peptide' . 19859 Chikungunya . 19859 'Dengue Virus' . 19859 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19859 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 53 19859 '15N chemical shifts' 27 19859 '1H chemical shifts' 244 19859 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 . . 2015-01-26 2014-03-16 original author . 19859 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MMM 'BMRB Entry Tracking System' 19859 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19859 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25162372 _Citation.Full_citation . _Citation.Title 'Aedesin: structure and antimicrobial activity against multidrug resistant bacterial strains' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plos One' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 8 _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 e105441 _Citation.Page_last e105441 _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 Sylvain Godreuil . . . 19859 1 2 Nadia Leban . . . 19859 1 3 Andre Padilla . . . 19859 1 4 Rodolphe Hamel . . . 19859 1 5 Natthanej Luplertlop . . . 19859 1 6 Aurelie Chauffour . . . 19859 1 7 Marion Vittecoq . . . 19859 1 8 Francois Hoh . . . 19859 1 9 Frederic Thomas . . . 19859 1 10 Wladimir Sougakoff . . . 19859 1 11 Corinne Lionne . . . 19859 1 12 Hans Yssel . . . 19859 1 13 Dorothee Misse . . . 19859 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19859 _Assembly.ID 1 _Assembly.Name 'GK cecropin-like peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 'GK cecropin-like peptide' 1 $cecropin_GK A . yes native no no . . . 19859 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cecropin_GK _Entity.Sf_category entity _Entity.Sf_framecode cecropin_GK _Entity.Entry_ID 19859 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cecropin_GK _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGLKKLGKKLEGAGKRVFKA SEKALPVVVGIKAIGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Mature form of the immature, signal sequence-containing form MK' _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 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'fragment 26-61 of MK' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3686.604 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MMM . "Solution Structure Of The Mature Form, Gk Cecropin-like Peptide From Ae. Aegypti Mosquito" . . . . . 100.00 36 100.00 100.00 4.78e-12 . . . . 19859 1 2 no GB EAT48342 . "AAEL000598-PA [Aedes aegypti]" . . . . . 100.00 59 100.00 100.00 1.98e-12 . . . . 19859 1 3 no REF XP_001649181 . "AAEL000598-PA [Aedes aegypti]" . . . . . 100.00 59 100.00 100.00 1.98e-12 . . . . 19859 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 26 GLY . 19859 1 2 27 GLY . 19859 1 3 28 LEU . 19859 1 4 29 LYS . 19859 1 5 30 LYS . 19859 1 6 31 LEU . 19859 1 7 32 GLY . 19859 1 8 33 LYS . 19859 1 9 34 LYS . 19859 1 10 35 LEU . 19859 1 11 36 GLU . 19859 1 12 37 GLY . 19859 1 13 38 ALA . 19859 1 14 39 GLY . 19859 1 15 40 LYS . 19859 1 16 41 ARG . 19859 1 17 42 VAL . 19859 1 18 43 PHE . 19859 1 19 44 LYS . 19859 1 20 45 ALA . 19859 1 21 46 SER . 19859 1 22 47 GLU . 19859 1 23 48 LYS . 19859 1 24 49 ALA . 19859 1 25 50 LEU . 19859 1 26 51 PRO . 19859 1 27 52 VAL . 19859 1 28 53 VAL . 19859 1 29 54 VAL . 19859 1 30 55 GLY . 19859 1 31 56 ILE . 19859 1 32 57 LYS . 19859 1 33 58 ALA . 19859 1 34 59 ILE . 19859 1 35 60 GLY . 19859 1 36 61 LYS . 19859 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 . GLY 1 1 19859 1 . GLY 2 2 19859 1 . LEU 3 3 19859 1 . LYS 4 4 19859 1 . LYS 5 5 19859 1 . LEU 6 6 19859 1 . GLY 7 7 19859 1 . LYS 8 8 19859 1 . LYS 9 9 19859 1 . LEU 10 10 19859 1 . GLU 11 11 19859 1 . GLY 12 12 19859 1 . ALA 13 13 19859 1 . GLY 14 14 19859 1 . LYS 15 15 19859 1 . ARG 16 16 19859 1 . VAL 17 17 19859 1 . PHE 18 18 19859 1 . LYS 19 19 19859 1 . ALA 20 20 19859 1 . SER 21 21 19859 1 . GLU 22 22 19859 1 . LYS 23 23 19859 1 . ALA 24 24 19859 1 . LEU 25 25 19859 1 . PRO 26 26 19859 1 . VAL 27 27 19859 1 . VAL 28 28 19859 1 . VAL 29 29 19859 1 . GLY 30 30 19859 1 . ILE 31 31 19859 1 . LYS 32 32 19859 1 . ALA 33 33 19859 1 . ILE 34 34 19859 1 . GLY 35 35 19859 1 . LYS 36 36 19859 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 19859 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $cecropin_GK . 7159 organism . 'Aedes aegypti' 'yellow fever mosquito' . . Eukaryota Metazoa Aedes aegypti . . . . . . . . . . . . . . . . 'cecropin AAEL000598 gene' . . . . 19859 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 19859 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $cecropin_GK . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19859 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19859 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system 50%H2O/50%TFE _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 'cecropin GK' 'natural abundance' . . 1 $cecropin_GK . . 0.784 . . mM . . . . 19859 1 2 'Na phosphate' 'natural abundance' . . . . . . 5.00 . . mM . . . . 19859 1 3 'K phosphate' 'natural abundance' . . . . . . 0.88 . . mM . . . . 19859 1 4 NaCl 'natural abundance' . . . . . . 68.50 . . mM . . . . 19859 1 5 KCl 'natural abundance' . . . . . . 1.35 . . mM . . . . 19859 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19859 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system 50%D2O/50%TFE _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 'cecropin GK' 'natural abundance' . . 1 $cecropin_GK . . 0.784 . . mM . . . . 19859 2 2 'Na phosphate' 'natural abundance' . . . . . . 5.00 . . mM . . . . 19859 2 3 'K phosphate' 'natural abundance' . . . . . . 0.88 . . mM . . . . 19859 2 4 NaCl 'natural abundance' . . . . . . 68.50 . . mM . . . . 19859 2 5 KCl 'natural abundance' . . . . . . 1.35 . . mM . . . . 19859 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19859 _Sample_condition_list.ID 1 _Sample_condition_list.Details . 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 'ionic strength' 0.090 . M 19859 1 pH 7.4 . pH 19859 1 pressure 1 . atm 19859 1 temperature 283 . K 19859 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19859 _Sample_condition_list.ID 2 _Sample_condition_list.Details . 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 'ionic strength' 0.090 . M 19859 2 pH 7.4 . pH 19859 2 pressure 1 . atm 19859 2 temperature 302 . K 19859 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19859 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19859 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19859 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19859 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19859 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19859 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19859 _Software.ID 3 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19859 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19859 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19859 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19859 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19859 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19859 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19859 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Bruker Avance . 700 . . . 19859 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 19859 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19859 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19859 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19859 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19859 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19859 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19859 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19859 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 19859 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19859 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19859 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19859 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 19859 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 1H-1H NOESY' . . . 19859 1 2 '2D 1H-1H TOCSY' . . . 19859 1 3 '2D 1H-15N HSQC' . . . 19859 1 5 '2D 1H-13C HSQC' . . . 19859 1 6 '2D 1H-1H TOCSY' . . . 19859 1 7 '2D 1H-1H NOESY' . . . 19859 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 GLY HA3 H 1 3.981 0.02 . 2 . . . A 26 GLY HA3 . 19859 1 2 . 1 1 2 2 GLY H H 1 8.669 0.02 . 1 . . . A 27 GLY H . 19859 1 3 . 1 1 2 2 GLY HA2 H 1 4.073 0.02 . 2 . . . A 27 GLY HA2 . 19859 1 4 . 1 1 2 2 GLY HA3 H 1 4.151 0.02 . 2 . . . A 27 GLY HA3 . 19859 1 5 . 1 1 2 2 GLY CA C 13 45.638 0.3 . 1 . . . A 27 GLY CA . 19859 1 6 . 1 1 2 2 GLY N N 15 108.725 0.3 . 1 . . . A 27 GLY N . 19859 1 7 . 1 1 3 3 LEU H H 1 8.268 0.02 . 1 . . . A 28 LEU H . 19859 1 8 . 1 1 3 3 LEU HA H 1 4.337 0.02 . 1 . . . A 28 LEU HA . 19859 1 9 . 1 1 3 3 LEU HB2 H 1 1.786 0.02 . 2 . . . A 28 LEU HB2 . 19859 1 10 . 1 1 3 3 LEU HB3 H 1 1.719 0.02 . 2 . . . A 28 LEU HB3 . 19859 1 11 . 1 1 3 3 LEU HG H 1 1.712 0.02 . 1 . . . A 28 LEU HG . 19859 1 12 . 1 1 3 3 LEU HD11 H 1 0.993 0.02 . 2 . . . A 28 LEU HD11 . 19859 1 13 . 1 1 3 3 LEU HD12 H 1 0.993 0.02 . 2 . . . A 28 LEU HD12 . 19859 1 14 . 1 1 3 3 LEU HD13 H 1 0.993 0.02 . 2 . . . A 28 LEU HD13 . 19859 1 15 . 1 1 3 3 LEU HD21 H 1 0.939 0.02 . 2 . . . A 28 LEU HD21 . 19859 1 16 . 1 1 3 3 LEU HD22 H 1 0.939 0.02 . 2 . . . A 28 LEU HD22 . 19859 1 17 . 1 1 3 3 LEU HD23 H 1 0.939 0.02 . 2 . . . A 28 LEU HD23 . 19859 1 18 . 1 1 3 3 LEU CA C 13 56.827 0.3 . 1 . . . A 28 LEU CA . 19859 1 19 . 1 1 3 3 LEU CB C 13 42.011 0.3 . 1 . . . A 28 LEU CB . 19859 1 20 . 1 1 3 3 LEU N N 15 121.694 0.3 . 1 . . . A 28 LEU N . 19859 1 21 . 1 1 4 4 LYS H H 1 8.221 0.02 . 1 . . . A 29 LYS H . 19859 1 22 . 1 1 4 4 LYS HA H 1 4.159 0.02 . 1 . . . A 29 LYS HA . 19859 1 23 . 1 1 4 4 LYS HB2 H 1 1.931 0.02 . 2 . . . A 29 LYS HB2 . 19859 1 24 . 1 1 4 4 LYS HB3 H 1 2.007 0.02 . 2 . . . A 29 LYS HB3 . 19859 1 25 . 1 1 4 4 LYS HG2 H 1 1.501 0.02 . 2 . . . A 29 LYS HG2 . 19859 1 26 . 1 1 4 4 LYS HG3 H 1 1.629 0.02 . 2 . . . A 29 LYS HG3 . 19859 1 27 . 1 1 4 4 LYS HD2 H 1 1.805 0.02 . 2 . . . A 29 LYS HD2 . 19859 1 28 . 1 1 4 4 LYS HE2 H 1 3.016 0.02 . 2 . . . A 29 LYS HE2 . 19859 1 29 . 1 1 4 4 LYS CA C 13 59.038 0.3 . 1 . . . A 29 LYS CA . 19859 1 30 . 1 1 4 4 LYS N N 15 119.920 0.3 . 1 . . . A 29 LYS N . 19859 1 31 . 1 1 5 5 LYS H H 1 7.987 0.02 . 1 . . . A 30 LYS H . 19859 1 32 . 1 1 5 5 LYS HA H 1 4.138 0.02 . 1 . . . A 30 LYS HA . 19859 1 33 . 1 1 5 5 LYS HB2 H 1 1.960 0.02 . 2 . . . A 30 LYS HB2 . 19859 1 34 . 1 1 5 5 LYS HB3 H 1 1.909 0.02 . 2 . . . A 30 LYS HB3 . 19859 1 35 . 1 1 5 5 LYS HG2 H 1 1.487 0.02 . 2 . . . A 30 LYS HG2 . 19859 1 36 . 1 1 5 5 LYS HG3 H 1 1.629 0.02 . 2 . . . A 30 LYS HG3 . 19859 1 37 . 1 1 5 5 LYS HD2 H 1 1.788 0.02 . 2 . . . A 30 LYS HD2 . 19859 1 38 . 1 1 5 5 LYS HE2 H 1 3.061 0.02 . 2 . . . A 30 LYS HE2 . 19859 1 39 . 1 1 5 5 LYS CA C 13 58.883 0.3 . 1 . . . A 30 LYS CA . 19859 1 40 . 1 1 5 5 LYS N N 15 119.059 0.3 . 1 . . . A 30 LYS N . 19859 1 41 . 1 1 6 6 LEU H H 1 7.929 0.02 . 1 . . . A 31 LEU H . 19859 1 42 . 1 1 6 6 LEU HA H 1 4.212 0.02 . 1 . . . A 31 LEU HA . 19859 1 43 . 1 1 6 6 LEU HB2 H 1 1.900 0.02 . 2 . . . A 31 LEU HB2 . 19859 1 44 . 1 1 6 6 LEU HB3 H 1 1.870 0.02 . 2 . . . A 31 LEU HB3 . 19859 1 45 . 1 1 6 6 LEU HG H 1 1.684 0.02 . 1 . . . A 31 LEU HG . 19859 1 46 . 1 1 6 6 LEU HD11 H 1 0.991 0.02 . 2 . . . A 31 LEU HD11 . 19859 1 47 . 1 1 6 6 LEU HD12 H 1 0.991 0.02 . 2 . . . A 31 LEU HD12 . 19859 1 48 . 1 1 6 6 LEU HD13 H 1 0.991 0.02 . 2 . . . A 31 LEU HD13 . 19859 1 49 . 1 1 6 6 LEU HD21 H 1 0.940 0.02 . 2 . . . A 31 LEU HD21 . 19859 1 50 . 1 1 6 6 LEU HD22 H 1 0.940 0.02 . 2 . . . A 31 LEU HD22 . 19859 1 51 . 1 1 6 6 LEU HD23 H 1 0.940 0.02 . 2 . . . A 31 LEU HD23 . 19859 1 52 . 1 1 6 6 LEU CB C 13 41.829 0.3 . 1 . . . A 31 LEU CB . 19859 1 53 . 1 1 6 6 LEU N N 15 120.964 0.3 . 1 . . . A 31 LEU N . 19859 1 54 . 1 1 7 7 GLY H H 1 8.431 0.02 . 1 . . . A 32 GLY H . 19859 1 55 . 1 1 7 7 GLY HA2 H 1 3.818 0.02 . 2 . . . A 32 GLY HA2 . 19859 1 56 . 1 1 7 7 GLY HA3 H 1 3.953 0.02 . 2 . . . A 32 GLY HA3 . 19859 1 57 . 1 1 7 7 GLY CA C 13 46.955 0.3 . 1 . . . A 32 GLY CA . 19859 1 58 . 1 1 7 7 GLY N N 15 105.550 0.3 . 1 . . . A 32 GLY N . 19859 1 59 . 1 1 8 8 LYS H H 1 7.974 0.02 . 1 . . . A 33 LYS H . 19859 1 60 . 1 1 8 8 LYS HA H 1 4.258 0.02 . 1 . . . A 33 LYS HA . 19859 1 61 . 1 1 8 8 LYS HB2 H 1 2.043 0.02 . 2 . . . A 33 LYS HB2 . 19859 1 62 . 1 1 8 8 LYS HB3 H 1 2.008 0.02 . 2 . . . A 33 LYS HB3 . 19859 1 63 . 1 1 8 8 LYS HG2 H 1 1.616 0.02 . 2 . . . A 33 LYS HG2 . 19859 1 64 . 1 1 8 8 LYS HE2 H 1 3.019 0.02 . 2 . . . A 33 LYS HE2 . 19859 1 65 . 1 1 8 8 LYS CA C 13 58.088 0.3 . 1 . . . A 33 LYS CA . 19859 1 66 . 1 1 8 8 LYS N N 15 120.220 0.3 . 1 . . . A 33 LYS N . 19859 1 67 . 1 1 9 9 LYS H H 1 8.123 0.02 . 1 . . . A 34 LYS H . 19859 1 68 . 1 1 9 9 LYS HA H 1 4.213 0.02 . 1 . . . A 34 LYS HA . 19859 1 69 . 1 1 9 9 LYS HB2 H 1 2.060 0.02 . 2 . . . A 34 LYS HB2 . 19859 1 70 . 1 1 9 9 LYS HB3 H 1 2.118 0.02 . 2 . . . A 34 LYS HB3 . 19859 1 71 . 1 1 9 9 LYS HG2 H 1 1.757 0.02 . 2 . . . A 34 LYS HG2 . 19859 1 72 . 1 1 9 9 LYS HG3 H 1 1.667 0.02 . 2 . . . A 34 LYS HG3 . 19859 1 73 . 1 1 9 9 LYS HD2 H 1 1.527 0.02 . 2 . . . A 34 LYS HD2 . 19859 1 74 . 1 1 9 9 LYS HE2 H 1 3.018 0.02 . 2 . . . A 34 LYS HE2 . 19859 1 75 . 1 1 9 9 LYS N N 15 121.616 0.3 . 1 . . . A 34 LYS N . 19859 1 76 . 1 1 10 10 LEU H H 1 8.464 0.02 . 1 . . . A 35 LEU H . 19859 1 77 . 1 1 10 10 LEU HA H 1 4.231 0.02 . 1 . . . A 35 LEU HA . 19859 1 78 . 1 1 10 10 LEU HB2 H 1 1.951 0.02 . 2 . . . A 35 LEU HB2 . 19859 1 79 . 1 1 10 10 LEU HB3 H 1 1.850 0.02 . 2 . . . A 35 LEU HB3 . 19859 1 80 . 1 1 10 10 LEU HG H 1 1.591 0.02 . 1 . . . A 35 LEU HG . 19859 1 81 . 1 1 10 10 LEU HD11 H 1 0.920 0.02 . 2 . . . A 35 LEU HD11 . 19859 1 82 . 1 1 10 10 LEU HD12 H 1 0.920 0.02 . 2 . . . A 35 LEU HD12 . 19859 1 83 . 1 1 10 10 LEU HD13 H 1 0.920 0.02 . 2 . . . A 35 LEU HD13 . 19859 1 84 . 1 1 10 10 LEU HD21 H 1 0.887 0.02 . 2 . . . A 35 LEU HD21 . 19859 1 85 . 1 1 10 10 LEU HD22 H 1 0.887 0.02 . 2 . . . A 35 LEU HD22 . 19859 1 86 . 1 1 10 10 LEU HD23 H 1 0.887 0.02 . 2 . . . A 35 LEU HD23 . 19859 1 87 . 1 1 10 10 LEU CB C 13 41.648 0.3 . 1 . . . A 35 LEU CB . 19859 1 88 . 1 1 10 10 LEU N N 15 120.254 0.3 . 1 . . . A 35 LEU N . 19859 1 89 . 1 1 11 11 GLU H H 1 8.362 0.02 . 1 . . . A 36 GLU H . 19859 1 90 . 1 1 11 11 GLU HA H 1 4.128 0.02 . 1 . . . A 36 GLU HA . 19859 1 91 . 1 1 11 11 GLU HB2 H 1 2.255 0.02 . 2 . . . A 36 GLU HB2 . 19859 1 92 . 1 1 11 11 GLU HB3 H 1 2.200 0.02 . 2 . . . A 36 GLU HB3 . 19859 1 93 . 1 1 11 11 GLU HG2 H 1 2.503 0.02 . 2 . . . A 36 GLU HG2 . 19859 1 94 . 1 1 11 11 GLU HG3 H 1 2.264 0.02 . 2 . . . A 36 GLU HG3 . 19859 1 95 . 1 1 11 11 GLU CA C 13 59.080 0.3 . 1 . . . A 36 GLU CA . 19859 1 96 . 1 1 11 11 GLU CB C 13 29.912 0.3 . 1 . . . A 36 GLU CB . 19859 1 97 . 1 1 12 12 GLY H H 1 8.223 0.02 . 1 . . . A 37 GLY H . 19859 1 98 . 1 1 12 12 GLY HA2 H 1 4.002 0.02 . 2 . . . A 37 GLY HA2 . 19859 1 99 . 1 1 12 12 GLY HA3 H 1 3.977 0.02 . 2 . . . A 37 GLY HA3 . 19859 1 100 . 1 1 12 12 GLY CA C 13 46.598 0.3 . 1 . . . A 37 GLY CA . 19859 1 101 . 1 1 12 12 GLY N N 15 106.614 0.3 . 1 . . . A 37 GLY N . 19859 1 102 . 1 1 13 13 ALA H H 1 8.178 0.02 . 1 . . . A 38 ALA H . 19859 1 103 . 1 1 13 13 ALA HA H 1 4.234 0.02 . 1 . . . A 38 ALA HA . 19859 1 104 . 1 1 13 13 ALA HB1 H 1 1.565 0.02 . 1 . . . A 38 ALA HB1 . 19859 1 105 . 1 1 13 13 ALA HB2 H 1 1.565 0.02 . 1 . . . A 38 ALA HB2 . 19859 1 106 . 1 1 13 13 ALA HB3 H 1 1.565 0.02 . 1 . . . A 38 ALA HB3 . 19859 1 107 . 1 1 13 13 ALA CA C 13 54.759 0.3 . 1 . . . A 38 ALA CA . 19859 1 108 . 1 1 13 13 ALA CB C 13 17.768 0.3 . 1 . . . A 38 ALA CB . 19859 1 109 . 1 1 14 14 GLY H H 1 8.451 0.02 . 1 . . . A 39 GLY H . 19859 1 110 . 1 1 14 14 GLY HA2 H 1 3.951 0.02 . 2 . . . A 39 GLY HA2 . 19859 1 111 . 1 1 14 14 GLY HA3 H 1 3.867 0.02 . 2 . . . A 39 GLY HA3 . 19859 1 112 . 1 1 14 14 GLY CA C 13 46.654 0.3 . 1 . . . A 39 GLY CA . 19859 1 113 . 1 1 14 14 GLY N N 15 105.380 0.3 . 1 . . . A 39 GLY N . 19859 1 114 . 1 1 15 15 LYS H H 1 8.057 0.02 . 1 . . . A 40 LYS H . 19859 1 115 . 1 1 15 15 LYS HA H 1 4.227 0.02 . 1 . . . A 40 LYS HA . 19859 1 116 . 1 1 15 15 LYS HB2 H 1 2.004 0.02 . 2 . . . A 40 LYS HB2 . 19859 1 117 . 1 1 15 15 LYS HG2 H 1 1.525 0.02 . 2 . . . A 40 LYS HG2 . 19859 1 118 . 1 1 15 15 LYS HG3 H 1 1.567 0.02 . 2 . . . A 40 LYS HG3 . 19859 1 119 . 1 1 15 15 LYS HD2 H 1 1.749 0.02 . 2 . . . A 40 LYS HD2 . 19859 1 120 . 1 1 15 15 LYS HD3 H 1 1.777 0.02 . 2 . . . A 40 LYS HD3 . 19859 1 121 . 1 1 15 15 LYS HE2 H 1 3.010 0.02 . 2 . . . A 40 LYS HE2 . 19859 1 122 . 1 1 15 15 LYS N N 15 120.181 0.3 . 1 . . . A 40 LYS N . 19859 1 123 . 1 1 16 16 ARG H H 1 7.890 0.02 . 1 . . . A 41 ARG H . 19859 1 124 . 1 1 16 16 ARG HA H 1 4.168 0.02 . 1 . . . A 41 ARG HA . 19859 1 125 . 1 1 16 16 ARG HB2 H 1 2.069 0.02 . 2 . . . A 41 ARG HB2 . 19859 1 126 . 1 1 16 16 ARG HB3 H 1 2.006 0.02 . 2 . . . A 41 ARG HB3 . 19859 1 127 . 1 1 16 16 ARG HG2 H 1 1.911 0.02 . 2 . . . A 41 ARG HG2 . 19859 1 128 . 1 1 16 16 ARG HG3 H 1 1.701 0.02 . 2 . . . A 41 ARG HG3 . 19859 1 129 . 1 1 16 16 ARG HD2 H 1 3.282 0.02 . 2 . . . A 41 ARG HD2 . 19859 1 130 . 1 1 16 16 ARG HD3 H 1 3.238 0.02 . 2 . . . A 41 ARG HD3 . 19859 1 131 . 1 1 16 16 ARG HE H 1 7.278 0.02 . 1 . . . A 41 ARG HE . 19859 1 132 . 1 1 16 16 ARG CA C 13 59.171 0.3 . 1 . . . A 41 ARG CA . 19859 1 133 . 1 1 16 16 ARG CB C 13 29.998 0.3 . 1 . . . A 41 ARG CB . 19859 1 134 . 1 1 16 16 ARG N N 15 118.876 0.3 . 1 . . . A 41 ARG N . 19859 1 135 . 1 1 17 17 VAL H H 1 8.117 0.02 . 1 . . . A 42 VAL H . 19859 1 136 . 1 1 17 17 VAL HA H 1 3.793 0.02 . 1 . . . A 42 VAL HA . 19859 1 137 . 1 1 17 17 VAL HB H 1 2.178 0.02 . 1 . . . A 42 VAL HB . 19859 1 138 . 1 1 17 17 VAL HG11 H 1 1.062 0.02 . 2 . . . A 42 VAL HG11 . 19859 1 139 . 1 1 17 17 VAL HG12 H 1 1.062 0.02 . 2 . . . A 42 VAL HG12 . 19859 1 140 . 1 1 17 17 VAL HG13 H 1 1.062 0.02 . 2 . . . A 42 VAL HG13 . 19859 1 141 . 1 1 17 17 VAL HG21 H 1 0.909 0.02 . 2 . . . A 42 VAL HG21 . 19859 1 142 . 1 1 17 17 VAL HG22 H 1 0.909 0.02 . 2 . . . A 42 VAL HG22 . 19859 1 143 . 1 1 17 17 VAL HG23 H 1 0.909 0.02 . 2 . . . A 42 VAL HG23 . 19859 1 144 . 1 1 17 17 VAL CA C 13 65.612 0.3 . 1 . . . A 42 VAL CA . 19859 1 145 . 1 1 17 17 VAL CB C 13 31.999 0.3 . 1 . . . A 42 VAL CB . 19859 1 146 . 1 1 18 18 PHE H H 1 8.361 0.02 . 1 . . . A 43 PHE H . 19859 1 147 . 1 1 18 18 PHE HA H 1 4.352 0.02 . 1 . . . A 43 PHE HA . 19859 1 148 . 1 1 18 18 PHE HB2 H 1 3.295 0.02 . 2 . . . A 43 PHE HB2 . 19859 1 149 . 1 1 18 18 PHE HB3 H 1 3.238 0.02 . 2 . . . A 43 PHE HB3 . 19859 1 150 . 1 1 18 18 PHE HD1 H 1 7.268 0.02 . 1 . . . A 43 PHE HD1 . 19859 1 151 . 1 1 18 18 PHE HD2 H 1 7.268 0.02 . 1 . . . A 43 PHE HD2 . 19859 1 152 . 1 1 18 18 PHE HE1 H 1 7.332 0.02 . 1 . . . A 43 PHE HE1 . 19859 1 153 . 1 1 18 18 PHE HE2 H 1 7.332 0.02 . 1 . . . A 43 PHE HE2 . 19859 1 154 . 1 1 18 18 PHE CA C 13 60.722 0.3 . 1 . . . A 43 PHE CA . 19859 1 155 . 1 1 18 18 PHE CB C 13 38.916 0.3 . 1 . . . A 43 PHE CB . 19859 1 156 . 1 1 19 19 LYS H H 1 8.369 0.02 . 1 . . . A 44 LYS H . 19859 1 157 . 1 1 19 19 LYS HA H 1 4.192 0.02 . 1 . . . A 44 LYS HA . 19859 1 158 . 1 1 19 19 LYS HB2 H 1 2.003 0.02 . 2 . . . A 44 LYS HB2 . 19859 1 159 . 1 1 19 19 LYS HG2 H 1 1.816 0.02 . 2 . . . A 44 LYS HG2 . 19859 1 160 . 1 1 19 19 LYS HG3 H 1 1.656 0.02 . 2 . . . A 44 LYS HG3 . 19859 1 161 . 1 1 19 19 LYS HD2 H 1 1.620 0.02 . 2 . . . A 44 LYS HD2 . 19859 1 162 . 1 1 19 19 LYS HE2 H 1 3.039 0.02 . 2 . . . A 44 LYS HE2 . 19859 1 163 . 1 1 19 19 LYS CA C 13 58.092 0.3 . 1 . . . A 44 LYS CA . 19859 1 164 . 1 1 19 19 LYS N N 15 119.689 0.3 . 1 . . . A 44 LYS N . 19859 1 165 . 1 1 20 20 ALA H H 1 8.306 0.02 . 1 . . . A 45 ALA H . 19859 1 166 . 1 1 20 20 ALA HA H 1 4.214 0.02 . 1 . . . A 45 ALA HA . 19859 1 167 . 1 1 20 20 ALA HB1 H 1 1.562 0.02 . 1 . . . A 45 ALA HB1 . 19859 1 168 . 1 1 20 20 ALA HB2 H 1 1.562 0.02 . 1 . . . A 45 ALA HB2 . 19859 1 169 . 1 1 20 20 ALA HB3 H 1 1.562 0.02 . 1 . . . A 45 ALA HB3 . 19859 1 170 . 1 1 20 20 ALA CA C 13 54.508 0.3 . 1 . . . A 45 ALA CA . 19859 1 171 . 1 1 20 20 ALA CB C 13 18.043 0.3 . 1 . . . A 45 ALA CB . 19859 1 172 . 1 1 20 20 ALA N N 15 121.950 0.3 . 1 . . . A 45 ALA N . 19859 1 173 . 1 1 21 21 SER H H 1 8.118 0.02 . 1 . . . A 46 SER H . 19859 1 174 . 1 1 21 21 SER HA H 1 4.308 0.02 . 1 . . . A 46 SER HA . 19859 1 175 . 1 1 21 21 SER HB2 H 1 4.066 0.02 . 2 . . . A 46 SER HB2 . 19859 1 176 . 1 1 21 21 SER HB3 H 1 3.947 0.02 . 2 . . . A 46 SER HB3 . 19859 1 177 . 1 1 21 21 SER CA C 13 60.546 0.3 . 1 . . . A 46 SER CA . 19859 1 178 . 1 1 21 21 SER CB C 13 63.181 0.3 . 1 . . . A 46 SER CB . 19859 1 179 . 1 1 22 22 GLU H H 1 8.028 0.02 . 1 . . . A 47 GLU H . 19859 1 180 . 1 1 22 22 GLU HA H 1 4.066 0.02 . 1 . . . A 47 GLU HA . 19859 1 181 . 1 1 22 22 GLU HB2 H 1 2.115 0.02 . 2 . . . A 47 GLU HB2 . 19859 1 182 . 1 1 22 22 GLU HG2 H 1 2.379 0.02 . 2 . . . A 47 GLU HG2 . 19859 1 183 . 1 1 22 22 GLU HG3 H 1 2.266 0.02 . 2 . . . A 47 GLU HG3 . 19859 1 184 . 1 1 22 22 GLU CA C 13 58.571 0.3 . 1 . . . A 47 GLU CA . 19859 1 185 . 1 1 22 22 GLU CB C 13 29.675 0.3 . 1 . . . A 47 GLU CB . 19859 1 186 . 1 1 22 22 GLU N N 15 121.720 0.3 . 1 . . . A 47 GLU N . 19859 1 187 . 1 1 23 23 LYS H H 1 7.791 0.02 . 1 . . . A 48 LYS H . 19859 1 188 . 1 1 23 23 LYS HA H 1 4.263 0.02 . 1 . . . A 48 LYS HA . 19859 1 189 . 1 1 23 23 LYS HB2 H 1 1.929 0.02 . 2 . . . A 48 LYS HB2 . 19859 1 190 . 1 1 23 23 LYS HE2 H 1 3.033 0.02 . 2 . . . A 48 LYS HE2 . 19859 1 191 . 1 1 23 23 LYS CA C 13 57.335 0.3 . 1 . . . A 48 LYS CA . 19859 1 192 . 1 1 23 23 LYS CB C 13 32.549 0.3 . 1 . . . A 48 LYS CB . 19859 1 193 . 1 1 23 23 LYS N N 15 117.349 0.3 . 1 . . . A 48 LYS N . 19859 1 194 . 1 1 24 24 ALA H H 1 7.807 0.02 . 1 . . . A 49 ALA H . 19859 1 195 . 1 1 24 24 ALA HA H 1 4.405 0.02 . 1 . . . A 49 ALA HA . 19859 1 196 . 1 1 24 24 ALA HB1 H 1 1.490 0.02 . 1 . . . A 49 ALA HB1 . 19859 1 197 . 1 1 24 24 ALA HB2 H 1 1.490 0.02 . 1 . . . A 49 ALA HB2 . 19859 1 198 . 1 1 24 24 ALA HB3 H 1 1.490 0.02 . 1 . . . A 49 ALA HB3 . 19859 1 199 . 1 1 24 24 ALA CA C 13 52.635 0.3 . 1 . . . A 49 ALA CA . 19859 1 200 . 1 1 24 24 ALA CB C 13 18.796 0.3 . 1 . . . A 49 ALA CB . 19859 1 201 . 1 1 24 24 ALA N N 15 120.142 0.3 . 1 . . . A 49 ALA N . 19859 1 202 . 1 1 25 25 LEU H H 1 7.830 0.02 . 1 . . . A 50 LEU H . 19859 1 203 . 1 1 25 25 LEU HA H 1 4.343 0.02 . 1 . . . A 50 LEU HA . 19859 1 204 . 1 1 25 25 LEU HB2 H 1 1.823 0.02 . 2 . . . A 50 LEU HB2 . 19859 1 205 . 1 1 25 25 LEU HB3 H 1 1.740 0.02 . 2 . . . A 50 LEU HB3 . 19859 1 206 . 1 1 25 25 LEU HD11 H 1 0.978 0.02 . 2 . . . A 50 LEU HD11 . 19859 1 207 . 1 1 25 25 LEU HD12 H 1 0.978 0.02 . 2 . . . A 50 LEU HD12 . 19859 1 208 . 1 1 25 25 LEU HD13 H 1 0.978 0.02 . 2 . . . A 50 LEU HD13 . 19859 1 209 . 1 1 25 25 LEU HD21 H 1 0.941 0.02 . 2 . . . A 50 LEU HD21 . 19859 1 210 . 1 1 25 25 LEU HD22 H 1 0.941 0.02 . 2 . . . A 50 LEU HD22 . 19859 1 211 . 1 1 25 25 LEU HD23 H 1 0.941 0.02 . 2 . . . A 50 LEU HD23 . 19859 1 212 . 1 1 25 25 LEU CA C 13 58.666 0.3 . 1 . . . A 50 LEU CA . 19859 1 213 . 1 1 25 25 LEU CB C 13 40.193 0.3 . 1 . . . A 50 LEU CB . 19859 1 214 . 1 1 25 25 LEU N N 15 119.907 0.3 . 1 . . . A 50 LEU N . 19859 1 215 . 1 1 26 26 PRO HA H 1 4.301 0.02 . 1 . . . A 51 PRO HA . 19859 1 216 . 1 1 26 26 PRO HB2 H 1 2.353 0.02 . 2 . . . A 51 PRO HB2 . 19859 1 217 . 1 1 26 26 PRO HB3 H 1 1.842 0.02 . 2 . . . A 51 PRO HB3 . 19859 1 218 . 1 1 26 26 PRO HG2 H 1 2.140 0.02 . 2 . . . A 51 PRO HG2 . 19859 1 219 . 1 1 26 26 PRO HG3 H 1 2.010 0.02 . 2 . . . A 51 PRO HG3 . 19859 1 220 . 1 1 26 26 PRO HD2 H 1 3.766 0.02 . 2 . . . A 51 PRO HD2 . 19859 1 221 . 1 1 26 26 PRO HD3 H 1 3.695 0.02 . 2 . . . A 51 PRO HD3 . 19859 1 222 . 1 1 26 26 PRO CA C 13 65.614 0.3 . 1 . . . A 51 PRO CA . 19859 1 223 . 1 1 26 26 PRO CB C 13 31.216 0.3 . 1 . . . A 51 PRO CB . 19859 1 224 . 1 1 27 27 VAL H H 1 7.422 0.02 . 1 . . . A 52 VAL H . 19859 1 225 . 1 1 27 27 VAL HA H 1 3.828 0.02 . 1 . . . A 52 VAL HA . 19859 1 226 . 1 1 27 27 VAL HB H 1 2.353 0.02 . 1 . . . A 52 VAL HB . 19859 1 227 . 1 1 27 27 VAL HG11 H 1 1.066 0.02 . 2 . . . A 52 VAL HG11 . 19859 1 228 . 1 1 27 27 VAL HG12 H 1 1.066 0.02 . 2 . . . A 52 VAL HG12 . 19859 1 229 . 1 1 27 27 VAL HG13 H 1 1.066 0.02 . 2 . . . A 52 VAL HG13 . 19859 1 230 . 1 1 27 27 VAL HG21 H 1 1.006 0.02 . 2 . . . A 52 VAL HG21 . 19859 1 231 . 1 1 27 27 VAL HG22 H 1 1.006 0.02 . 2 . . . A 52 VAL HG22 . 19859 1 232 . 1 1 27 27 VAL HG23 H 1 1.006 0.02 . 2 . . . A 52 VAL HG23 . 19859 1 233 . 1 1 27 27 VAL CA C 13 65.316 0.3 . 1 . . . A 52 VAL CA . 19859 1 234 . 1 1 27 27 VAL CB C 13 32.030 0.3 . 1 . . . A 52 VAL CB . 19859 1 235 . 1 1 27 27 VAL N N 15 117.297 0.3 . 1 . . . A 52 VAL N . 19859 1 236 . 1 1 28 28 VAL H H 1 7.798 0.02 . 1 . . . A 53 VAL H . 19859 1 237 . 1 1 28 28 VAL HA H 1 3.714 0.02 . 1 . . . A 53 VAL HA . 19859 1 238 . 1 1 28 28 VAL HB H 1 2.240 0.02 . 1 . . . A 53 VAL HB . 19859 1 239 . 1 1 28 28 VAL HG11 H 1 1.060 0.02 . 2 . . . A 53 VAL HG11 . 19859 1 240 . 1 1 28 28 VAL HG12 H 1 1.060 0.02 . 2 . . . A 53 VAL HG12 . 19859 1 241 . 1 1 28 28 VAL HG13 H 1 1.060 0.02 . 2 . . . A 53 VAL HG13 . 19859 1 242 . 1 1 28 28 VAL HG21 H 1 0.980 0.02 . 2 . . . A 53 VAL HG21 . 19859 1 243 . 1 1 28 28 VAL HG22 H 1 0.980 0.02 . 2 . . . A 53 VAL HG22 . 19859 1 244 . 1 1 28 28 VAL HG23 H 1 0.980 0.02 . 2 . . . A 53 VAL HG23 . 19859 1 245 . 1 1 28 28 VAL CA C 13 66.044 0.3 . 1 . . . A 53 VAL CA . 19859 1 246 . 1 1 28 28 VAL CB C 13 32.077 0.3 . 1 . . . A 53 VAL CB . 19859 1 247 . 1 1 28 28 VAL N N 15 119.267 0.3 . 1 . . . A 53 VAL N . 19859 1 248 . 1 1 29 29 VAL H H 1 8.360 0.02 . 1 . . . A 54 VAL H . 19859 1 249 . 1 1 29 29 VAL HA H 1 3.714 0.02 . 1 . . . A 54 VAL HA . 19859 1 250 . 1 1 29 29 VAL HB H 1 2.100 0.02 . 1 . . . A 54 VAL HB . 19859 1 251 . 1 1 29 29 VAL HG11 H 1 1.049 0.02 . 2 . . . A 54 VAL HG11 . 19859 1 252 . 1 1 29 29 VAL HG12 H 1 1.049 0.02 . 2 . . . A 54 VAL HG12 . 19859 1 253 . 1 1 29 29 VAL HG13 H 1 1.049 0.02 . 2 . . . A 54 VAL HG13 . 19859 1 254 . 1 1 29 29 VAL HG21 H 1 0.967 0.02 . 2 . . . A 54 VAL HG21 . 19859 1 255 . 1 1 29 29 VAL HG22 H 1 0.967 0.02 . 2 . . . A 54 VAL HG22 . 19859 1 256 . 1 1 29 29 VAL HG23 H 1 0.967 0.02 . 2 . . . A 54 VAL HG23 . 19859 1 257 . 1 1 29 29 VAL CA C 13 66.044 0.3 . 1 . . . A 54 VAL CA . 19859 1 258 . 1 1 29 29 VAL CB C 13 31.952 0.3 . 1 . . . A 54 VAL CB . 19859 1 259 . 1 1 30 30 GLY H H 1 7.761 0.02 . 1 . . . A 55 GLY H . 19859 1 260 . 1 1 30 30 GLY HA2 H 1 3.875 0.02 . 2 . . . A 55 GLY HA2 . 19859 1 261 . 1 1 30 30 GLY HA3 H 1 3.932 0.02 . 2 . . . A 55 GLY HA3 . 19859 1 262 . 1 1 30 30 GLY CA C 13 46.577 0.3 . 1 . . . A 55 GLY CA . 19859 1 263 . 1 1 30 30 GLY N N 15 106.780 0.3 . 1 . . . A 55 GLY N . 19859 1 264 . 1 1 31 31 ILE H H 1 8.180 0.02 . 1 . . . A 56 ILE H . 19859 1 265 . 1 1 31 31 ILE HA H 1 3.943 0.02 . 1 . . . A 56 ILE HA . 19859 1 266 . 1 1 31 31 ILE HB H 1 2.026 0.02 . 1 . . . A 56 ILE HB . 19859 1 267 . 1 1 31 31 ILE HG12 H 1 1.786 0.02 . 2 . . . A 56 ILE HG12 . 19859 1 268 . 1 1 31 31 ILE HG13 H 1 1.211 0.02 . 2 . . . A 56 ILE HG13 . 19859 1 269 . 1 1 31 31 ILE HG21 H 1 0.960 0.02 . 1 . . . A 56 ILE HG21 . 19859 1 270 . 1 1 31 31 ILE HG22 H 1 0.960 0.02 . 1 . . . A 56 ILE HG22 . 19859 1 271 . 1 1 31 31 ILE HG23 H 1 0.960 0.02 . 1 . . . A 56 ILE HG23 . 19859 1 272 . 1 1 31 31 ILE HD11 H 1 0.880 0.02 . 1 . . . A 56 ILE HD11 . 19859 1 273 . 1 1 31 31 ILE HD12 H 1 0.880 0.02 . 1 . . . A 56 ILE HD12 . 19859 1 274 . 1 1 31 31 ILE HD13 H 1 0.880 0.02 . 1 . . . A 56 ILE HD13 . 19859 1 275 . 1 1 31 31 ILE CB C 13 38.235 0.3 . 1 . . . A 56 ILE CB . 19859 1 276 . 1 1 32 32 LYS H H 1 8.213 0.02 . 1 . . . A 57 LYS H . 19859 1 277 . 1 1 32 32 LYS HA H 1 4.200 0.02 . 1 . . . A 57 LYS HA . 19859 1 278 . 1 1 32 32 LYS HB2 H 1 1.999 0.02 . 2 . . . A 57 LYS HB2 . 19859 1 279 . 1 1 32 32 LYS HB3 H 1 1.929 0.02 . 2 . . . A 57 LYS HB3 . 19859 1 280 . 1 1 32 32 LYS HG2 H 1 1.637 0.02 . 2 . . . A 57 LYS HG2 . 19859 1 281 . 1 1 32 32 LYS HG3 H 1 1.577 0.02 . 2 . . . A 57 LYS HG3 . 19859 1 282 . 1 1 32 32 LYS HD2 H 1 1.726 0.02 . 2 . . . A 57 LYS HD2 . 19859 1 283 . 1 1 32 32 LYS HE2 H 1 3.031 0.02 . 2 . . . A 57 LYS HE2 . 19859 1 284 . 1 1 32 32 LYS HE3 H 1 2.972 0.02 . 2 . . . A 57 LYS HE3 . 19859 1 285 . 1 1 32 32 LYS CA C 13 57.864 0.3 . 1 . . . A 57 LYS CA . 19859 1 286 . 1 1 32 32 LYS CB C 13 32.033 0.3 . 1 . . . A 57 LYS CB . 19859 1 287 . 1 1 32 32 LYS N N 15 120.181 0.3 . 1 . . . A 57 LYS N . 19859 1 288 . 1 1 33 33 ALA H H 1 8.259 0.02 . 1 . . . A 58 ALA H . 19859 1 289 . 1 1 33 33 ALA HA H 1 4.262 0.02 . 1 . . . A 58 ALA HA . 19859 1 290 . 1 1 33 33 ALA HB1 H 1 1.539 0.02 . 1 . . . A 58 ALA HB1 . 19859 1 291 . 1 1 33 33 ALA HB2 H 1 1.539 0.02 . 1 . . . A 58 ALA HB2 . 19859 1 292 . 1 1 33 33 ALA HB3 H 1 1.539 0.02 . 1 . . . A 58 ALA HB3 . 19859 1 293 . 1 1 33 33 ALA CA C 13 53.751 0.3 . 1 . . . A 58 ALA CA . 19859 1 294 . 1 1 33 33 ALA CB C 13 18.539 0.3 . 1 . . . A 58 ALA CB . 19859 1 295 . 1 1 33 33 ALA N N 15 121.446 0.3 . 1 . . . A 58 ALA N . 19859 1 296 . 1 1 34 34 ILE H H 1 7.711 0.02 . 1 . . . A 59 ILE H . 19859 1 297 . 1 1 34 34 ILE HA H 1 4.144 0.02 . 1 . . . A 59 ILE HA . 19859 1 298 . 1 1 34 34 ILE HB H 1 2.073 0.02 . 1 . . . A 59 ILE HB . 19859 1 299 . 1 1 34 34 ILE HG12 H 1 1.347 0.02 . 2 . . . A 59 ILE HG12 . 19859 1 300 . 1 1 34 34 ILE HG13 H 1 1.699 0.02 . 2 . . . A 59 ILE HG13 . 19859 1 301 . 1 1 34 34 ILE HG21 H 1 1.002 0.02 . 1 . . . A 59 ILE HG21 . 19859 1 302 . 1 1 34 34 ILE HG22 H 1 1.002 0.02 . 1 . . . A 59 ILE HG22 . 19859 1 303 . 1 1 34 34 ILE HG23 H 1 1.002 0.02 . 1 . . . A 59 ILE HG23 . 19859 1 304 . 1 1 34 34 ILE HD11 H 1 0.940 0.02 . 1 . . . A 59 ILE HD11 . 19859 1 305 . 1 1 34 34 ILE HD12 H 1 0.940 0.02 . 1 . . . A 59 ILE HD12 . 19859 1 306 . 1 1 34 34 ILE HD13 H 1 0.940 0.02 . 1 . . . A 59 ILE HD13 . 19859 1 307 . 1 1 34 34 ILE CA C 13 62.549 0.3 . 1 . . . A 59 ILE CA . 19859 1 308 . 1 1 34 34 ILE CB C 13 38.403 0.3 . 1 . . . A 59 ILE CB . 19859 1 309 . 1 1 34 34 ILE N N 15 116.123 0.3 . 1 . . . A 59 ILE N . 19859 1 310 . 1 1 35 35 GLY H H 1 8.169 0.02 . 1 . . . A 60 GLY H . 19859 1 311 . 1 1 35 35 GLY HA2 H 1 3.959 0.02 . 2 . . . A 60 GLY HA2 . 19859 1 312 . 1 1 35 35 GLY HA3 H 1 4.055 0.02 . 2 . . . A 60 GLY HA3 . 19859 1 313 . 1 1 35 35 GLY CA C 13 45.577 0.3 . 1 . . . A 60 GLY CA . 19859 1 314 . 1 1 35 35 GLY N N 15 110.484 0.3 . 1 . . . A 60 GLY N . 19859 1 315 . 1 1 36 36 LYS H H 1 7.637 0.02 . 1 . . . A 61 LYS H . 19859 1 316 . 1 1 36 36 LYS HA H 1 4.288 0.02 . 1 . . . A 61 LYS HA . 19859 1 317 . 1 1 36 36 LYS HB2 H 1 1.951 0.02 . 2 . . . A 61 LYS HB2 . 19859 1 318 . 1 1 36 36 LYS HB3 H 1 1.815 0.02 . 2 . . . A 61 LYS HB3 . 19859 1 319 . 1 1 36 36 LYS HG2 H 1 1.727 0.02 . 2 . . . A 61 LYS HG2 . 19859 1 320 . 1 1 36 36 LYS HG3 H 1 1.453 0.02 . 2 . . . A 61 LYS HG3 . 19859 1 321 . 1 1 36 36 LYS HE2 H 1 3.055 0.02 . 2 . . . A 61 LYS HE2 . 19859 1 322 . 1 1 36 36 LYS CA C 13 57.055 0.3 . 1 . . . A 61 LYS CA . 19859 1 323 . 1 1 36 36 LYS CB C 13 33.647 0.3 . 1 . . . A 61 LYS CB . 19859 1 324 . 1 1 36 36 LYS N N 15 125.126 0.3 . 1 . . . A 61 LYS N . 19859 1 stop_ save_