data_25636 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25636 _Entry.Title ; Solution structure of AVR-Pia ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-28 _Entry.Accession_date 2015-05-28 _Entry.Last_release_date 2015-10-12 _Entry.Original_release_date 2015-10-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Toyoyuki Ose . . . . 25636 2 Azusa Oikawa . . . . 25636 3 Yukiko Nakamura . . . . 25636 4 Katsumi Maenaka . . . . 25636 5 Yuya Higuchi . . . . 25636 6 Yuki Satoh . . . . 25636 7 Shiho Fujiwara . . . . 25636 8 Makoto Demura . . . . 25636 9 Teruo Sone . . . . 25636 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' . 25636 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 25636 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25636 heteronucl_NOEs 1 25636 heteronucl_T1_relaxation 1 25636 heteronucl_T2_relaxation 1 25636 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 196 25636 '15N chemical shifts' 61 25636 '1H chemical shifts' 461 25636 'T1 relaxation values' 61 25636 'T2 relaxation values' 61 25636 'heteronuclear NOE values' 61 25636 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 . . 2015-10-12 . original BMRB . 25636 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N37 'BMRB Entry Tracking System' 25636 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25636 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26362280 _Citation.Full_citation . _Citation.Title ; Solution structure of an avirulence protein, AVR-Pia, from Magnaporthe oryzae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 63 _Citation.Journal_issue 2 _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 229 _Citation.Page_last 235 _Citation.Year 2015 _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 Toyoyuki Ose . . . . 25636 1 2 Azusa Oikawa . . . . 25636 1 3 Yukiko Nakamura . . . . 25636 1 4 Katsumi Maenaka . . . . 25636 1 5 Yuya Higuchi . . . . 25636 1 6 Yuki Satoh . . . . 25636 1 7 Shiho Fujiwara . . . . 25636 1 8 Makoto Demura . . . . 25636 1 9 Teruo Sone . . . . 25636 1 10 Masakatsu Kamiya . . . . 25636 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25636 _Assembly.ID 1 _Assembly.Name 'AVR-Pia monomer' _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 entity 1 $entity A . yes native no no . . . 25636 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . 25636 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25636 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; APARFCVYYDGHLPATRVLL MYVRIGTTATITARGHEFEV EAKDQNCKVILTNGKQAPDW LAAEPY ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7391.511 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 ALA . 25636 1 2 2 PRO . 25636 1 3 3 ALA . 25636 1 4 4 ARG . 25636 1 5 5 PHE . 25636 1 6 6 CYS . 25636 1 7 7 VAL . 25636 1 8 8 TYR . 25636 1 9 9 TYR . 25636 1 10 10 ASP . 25636 1 11 11 GLY . 25636 1 12 12 HIS . 25636 1 13 13 LEU . 25636 1 14 14 PRO . 25636 1 15 15 ALA . 25636 1 16 16 THR . 25636 1 17 17 ARG . 25636 1 18 18 VAL . 25636 1 19 19 LEU . 25636 1 20 20 LEU . 25636 1 21 21 MET . 25636 1 22 22 TYR . 25636 1 23 23 VAL . 25636 1 24 24 ARG . 25636 1 25 25 ILE . 25636 1 26 26 GLY . 25636 1 27 27 THR . 25636 1 28 28 THR . 25636 1 29 29 ALA . 25636 1 30 30 THR . 25636 1 31 31 ILE . 25636 1 32 32 THR . 25636 1 33 33 ALA . 25636 1 34 34 ARG . 25636 1 35 35 GLY . 25636 1 36 36 HIS . 25636 1 37 37 GLU . 25636 1 38 38 PHE . 25636 1 39 39 GLU . 25636 1 40 40 VAL . 25636 1 41 41 GLU . 25636 1 42 42 ALA . 25636 1 43 43 LYS . 25636 1 44 44 ASP . 25636 1 45 45 GLN . 25636 1 46 46 ASN . 25636 1 47 47 CYS . 25636 1 48 48 LYS . 25636 1 49 49 VAL . 25636 1 50 50 ILE . 25636 1 51 51 LEU . 25636 1 52 52 THR . 25636 1 53 53 ASN . 25636 1 54 54 GLY . 25636 1 55 55 LYS . 25636 1 56 56 GLN . 25636 1 57 57 ALA . 25636 1 58 58 PRO . 25636 1 59 59 ASP . 25636 1 60 60 TRP . 25636 1 61 61 LEU . 25636 1 62 62 ALA . 25636 1 63 63 ALA . 25636 1 64 64 GLU . 25636 1 65 65 PRO . 25636 1 66 66 TYR . 25636 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 . ALA 1 1 25636 1 . PRO 2 2 25636 1 . ALA 3 3 25636 1 . ARG 4 4 25636 1 . PHE 5 5 25636 1 . CYS 6 6 25636 1 . VAL 7 7 25636 1 . TYR 8 8 25636 1 . TYR 9 9 25636 1 . ASP 10 10 25636 1 . GLY 11 11 25636 1 . HIS 12 12 25636 1 . LEU 13 13 25636 1 . PRO 14 14 25636 1 . ALA 15 15 25636 1 . THR 16 16 25636 1 . ARG 17 17 25636 1 . VAL 18 18 25636 1 . LEU 19 19 25636 1 . LEU 20 20 25636 1 . MET 21 21 25636 1 . TYR 22 22 25636 1 . VAL 23 23 25636 1 . ARG 24 24 25636 1 . ILE 25 25 25636 1 . GLY 26 26 25636 1 . THR 27 27 25636 1 . THR 28 28 25636 1 . ALA 29 29 25636 1 . THR 30 30 25636 1 . ILE 31 31 25636 1 . THR 32 32 25636 1 . ALA 33 33 25636 1 . ARG 34 34 25636 1 . GLY 35 35 25636 1 . HIS 36 36 25636 1 . GLU 37 37 25636 1 . PHE 38 38 25636 1 . GLU 39 39 25636 1 . VAL 40 40 25636 1 . GLU 41 41 25636 1 . ALA 42 42 25636 1 . LYS 43 43 25636 1 . ASP 44 44 25636 1 . GLN 45 45 25636 1 . ASN 46 46 25636 1 . CYS 47 47 25636 1 . LYS 48 48 25636 1 . VAL 49 49 25636 1 . ILE 50 50 25636 1 . LEU 51 51 25636 1 . THR 52 52 25636 1 . ASN 53 53 25636 1 . GLY 54 54 25636 1 . LYS 55 55 25636 1 . GLN 56 56 25636 1 . ALA 57 57 25636 1 . PRO 58 58 25636 1 . ASP 59 59 25636 1 . TRP 60 60 25636 1 . LEU 61 61 25636 1 . ALA 62 62 25636 1 . ALA 63 63 25636 1 . GLU 64 64 25636 1 . PRO 65 65 25636 1 . TYR 66 66 25636 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 25636 _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 $entity . 318829 organism . 'Magnaporthe oryzae' 'rice blast fungus' . . Eukaryota Fungi Magnaporthe oryzae . . . . . . . . . . . . . 25636 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 25636 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-26b . . . 25636 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25636 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 AVR-Pia '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 25636 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25636 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 25636 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25636 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25636 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25636 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 AVR-Pia 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 25636 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25636 2 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 25636 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25636 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25636 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 25636 _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' 20 . mM 25636 1 pH 6.5 . pH 25636 1 pressure 1 . atm 25636 1 temperature 308 . K 25636 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25636 _Software.ID 1 _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' . . 25636 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25636 1 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 25636 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25636 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model ECA _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 25636 _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 DMX . 500 'with cryo-probe' . . 25636 1 2 spectrometer_2 JEOL ECA . 600 . . . 25636 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 25636 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 13 '2D 1H-15N heteronuclear NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 14 '2D 1H-15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 1 15 '2D 1H-15N T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25636 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 25636 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25636 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25636 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25636 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 25636 _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 . _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 1H-15N HSQC' . . . 25636 1 2 '2D 1H-13C HSQC aliphatic' . . . 25636 1 6 '3D C(CO)NH' . . . 25636 1 7 '3D HNCACB' . . . 25636 1 11 '2D 1H-1H TOCSY' . . . 25636 1 12 '2D 1H-1H NOESY' . . . 25636 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 2 2 PRO HA H 1 4.386 0.010 . . . . . A 2 PRO HA . 25636 1 2 . 1 1 2 2 PRO HB2 H 1 1.810 0.016 . . . . . A 2 PRO HB2 . 25636 1 3 . 1 1 2 2 PRO HB3 H 1 2.220 0.002 . . . . . A 2 PRO HB3 . 25636 1 4 . 1 1 2 2 PRO HG2 H 1 1.958 0.011 . . . . . A 2 PRO HG2 . 25636 1 5 . 1 1 2 2 PRO HG3 H 1 1.958 0.011 . . . . . A 2 PRO HG3 . 25636 1 6 . 1 1 2 2 PRO HD2 H 1 3.745 0.001 . . . . . A 2 PRO HD2 . 25636 1 7 . 1 1 2 2 PRO HD3 H 1 3.574 0.013 . . . . . A 2 PRO HD3 . 25636 1 8 . 1 1 2 2 PRO CA C 13 62.756 0.000 . . . . . A 2 PRO CA . 25636 1 9 . 1 1 2 2 PRO CB C 13 32.034 0.000 . . . . . A 2 PRO CB . 25636 1 10 . 1 1 2 2 PRO CG C 13 27.303 0.000 . . . . . A 2 PRO CG . 25636 1 11 . 1 1 2 2 PRO CD C 13 50.477 0.000 . . . . . A 2 PRO CD . 25636 1 12 . 1 1 3 3 ALA H H 1 8.192 0.025 . . . . . A 3 ALA H . 25636 1 13 . 1 1 3 3 ALA HA H 1 4.306 0.008 . . . . . A 3 ALA HA . 25636 1 14 . 1 1 3 3 ALA HB1 H 1 1.365 0.003 . . . . . A 3 ALA HB1 . 25636 1 15 . 1 1 3 3 ALA HB2 H 1 1.365 0.003 . . . . . A 3 ALA HB2 . 25636 1 16 . 1 1 3 3 ALA HB3 H 1 1.365 0.003 . . . . . A 3 ALA HB3 . 25636 1 17 . 1 1 3 3 ALA CA C 13 52.756 0.000 . . . . . A 3 ALA CA . 25636 1 18 . 1 1 3 3 ALA CB C 13 19.935 0.000 . . . . . A 3 ALA CB . 25636 1 19 . 1 1 3 3 ALA N N 15 124.343 0.000 . . . . . A 3 ALA N . 25636 1 20 . 1 1 4 4 ARG H H 1 9.195 0.015 . . . . . A 4 ARG H . 25636 1 21 . 1 1 4 4 ARG HA H 1 4.323 0.014 . . . . . A 4 ARG HA . 25636 1 22 . 1 1 4 4 ARG HB2 H 1 1.639 0.017 . . . . . A 4 ARG HB2 . 25636 1 23 . 1 1 4 4 ARG HB3 H 1 1.356 0.004 . . . . . A 4 ARG HB3 . 25636 1 24 . 1 1 4 4 ARG HG2 H 1 1.565 0.001 . . . . . A 4 ARG HG2 . 25636 1 25 . 1 1 4 4 ARG HG3 H 1 1.431 0.001 . . . . . A 4 ARG HG3 . 25636 1 26 . 1 1 4 4 ARG HD2 H 1 3.118 0.000 . . . . . A 4 ARG HD2 . 25636 1 27 . 1 1 4 4 ARG HD3 H 1 2.974 0.005 . . . . . A 4 ARG HD3 . 25636 1 28 . 1 1 4 4 ARG CA C 13 56.231 0.000 . . . . . A 4 ARG CA . 25636 1 29 . 1 1 4 4 ARG CB C 13 33.629 0.000 . . . . . A 4 ARG CB . 25636 1 30 . 1 1 4 4 ARG CG C 13 27.458 0.000 . . . . . A 4 ARG CG . 25636 1 31 . 1 1 4 4 ARG CD C 13 43.384 0.000 . . . . . A 4 ARG CD . 25636 1 32 . 1 1 4 4 ARG N N 15 119.928 0.000 . . . . . A 4 ARG N . 25636 1 33 . 1 1 5 5 PHE H H 1 9.242 0.020 . . . . . A 5 PHE H . 25636 1 34 . 1 1 5 5 PHE HA H 1 5.321 0.016 . . . . . A 5 PHE HA . 25636 1 35 . 1 1 5 5 PHE HB2 H 1 3.144 0.000 . . . . . A 5 PHE HB2 . 25636 1 36 . 1 1 5 5 PHE HB3 H 1 3.016 0.000 . . . . . A 5 PHE HB3 . 25636 1 37 . 1 1 5 5 PHE HD1 H 1 7.117 0.000 . . . . . A 5 PHE HD1 . 25636 1 38 . 1 1 5 5 PHE HD2 H 1 7.117 0.000 . . . . . A 5 PHE HD2 . 25636 1 39 . 1 1 5 5 PHE HE1 H 1 6.908 0.000 . . . . . A 5 PHE HE1 . 25636 1 40 . 1 1 5 5 PHE HE2 H 1 6.908 0.000 . . . . . A 5 PHE HE2 . 25636 1 41 . 1 1 5 5 PHE CA C 13 56.914 0.000 . . . . . A 5 PHE CA . 25636 1 42 . 1 1 5 5 PHE CB C 13 43.554 0.000 . . . . . A 5 PHE CB . 25636 1 43 . 1 1 5 5 PHE N N 15 119.084 0.000 . . . . . A 5 PHE N . 25636 1 44 . 1 1 6 6 CYS H H 1 9.204 0.009 . . . . . A 6 CYS H . 25636 1 45 . 1 1 6 6 CYS HA H 1 5.281 0.005 . . . . . A 6 CYS HA . 25636 1 46 . 1 1 6 6 CYS HB2 H 1 2.463 0.000 . . . . . A 6 CYS HB2 . 25636 1 47 . 1 1 6 6 CYS HB3 H 1 2.224 0.000 . . . . . A 6 CYS HB3 . 25636 1 48 . 1 1 6 6 CYS CA C 13 54.262 0.000 . . . . . A 6 CYS CA . 25636 1 49 . 1 1 6 6 CYS CB C 13 39.730 0.000 . . . . . A 6 CYS CB . 25636 1 50 . 1 1 6 6 CYS N N 15 116.173 0.000 . . . . . A 6 CYS N . 25636 1 51 . 1 1 7 7 VAL H H 1 9.474 0.017 . . . . . A 7 VAL H . 25636 1 52 . 1 1 7 7 VAL HA H 1 4.314 0.013 . . . . . A 7 VAL HA . 25636 1 53 . 1 1 7 7 VAL HB H 1 1.679 0.010 . . . . . A 7 VAL HB . 25636 1 54 . 1 1 7 7 VAL HG11 H 1 0.256 0.002 . . . . . A 7 VAL HG11 . 25636 1 55 . 1 1 7 7 VAL HG12 H 1 0.256 0.002 . . . . . A 7 VAL HG12 . 25636 1 56 . 1 1 7 7 VAL HG13 H 1 0.256 0.002 . . . . . A 7 VAL HG13 . 25636 1 57 . 1 1 7 7 VAL HG21 H 1 0.097 0.020 . . . . . A 7 VAL HG21 . 25636 1 58 . 1 1 7 7 VAL HG22 H 1 0.097 0.020 . . . . . A 7 VAL HG22 . 25636 1 59 . 1 1 7 7 VAL HG23 H 1 0.097 0.020 . . . . . A 7 VAL HG23 . 25636 1 60 . 1 1 7 7 VAL CA C 13 60.665 0.000 . . . . . A 7 VAL CA . 25636 1 61 . 1 1 7 7 VAL CB C 13 32.359 0.000 . . . . . A 7 VAL CB . 25636 1 62 . 1 1 7 7 VAL CG1 C 13 22.292 0.000 . . . . . A 7 VAL CG1 . 25636 1 63 . 1 1 7 7 VAL CG2 C 13 20.794 0.000 . . . . . A 7 VAL CG2 . 25636 1 64 . 1 1 7 7 VAL N N 15 126.228 0.000 . . . . . A 7 VAL N . 25636 1 65 . 1 1 8 8 TYR H H 1 8.195 0.015 . . . . . A 8 TYR H . 25636 1 66 . 1 1 8 8 TYR HA H 1 5.120 0.002 . . . . . A 8 TYR HA . 25636 1 67 . 1 1 8 8 TYR HB2 H 1 2.615 0.012 . . . . . A 8 TYR HB2 . 25636 1 68 . 1 1 8 8 TYR HB3 H 1 2.615 0.012 . . . . . A 8 TYR HB3 . 25636 1 69 . 1 1 8 8 TYR HD1 H 1 6.784 0.000 . . . . . A 8 TYR HD1 . 25636 1 70 . 1 1 8 8 TYR HD2 H 1 6.784 0.000 . . . . . A 8 TYR HD2 . 25636 1 71 . 1 1 8 8 TYR HE1 H 1 6.354 0.000 . . . . . A 8 TYR HE1 . 25636 1 72 . 1 1 8 8 TYR HE2 H 1 6.354 0.000 . . . . . A 8 TYR HE2 . 25636 1 73 . 1 1 8 8 TYR CA C 13 57.174 0.000 . . . . . A 8 TYR CA . 25636 1 74 . 1 1 8 8 TYR CB C 13 40.918 0.000 . . . . . A 8 TYR CB . 25636 1 75 . 1 1 8 8 TYR N N 15 123.478 0.000 . . . . . A 8 TYR N . 25636 1 76 . 1 1 9 9 TYR H H 1 9.410 0.011 . . . . . A 9 TYR H . 25636 1 77 . 1 1 9 9 TYR HA H 1 5.209 0.012 . . . . . A 9 TYR HA . 25636 1 78 . 1 1 9 9 TYR HB2 H 1 2.655 0.011 . . . . . A 9 TYR HB2 . 25636 1 79 . 1 1 9 9 TYR HB3 H 1 2.496 0.016 . . . . . A 9 TYR HB3 . 25636 1 80 . 1 1 9 9 TYR HD1 H 1 6.491 0.000 . . . . . A 9 TYR HD1 . 25636 1 81 . 1 1 9 9 TYR HD2 H 1 6.491 0.000 . . . . . A 9 TYR HD2 . 25636 1 82 . 1 1 9 9 TYR HE1 H 1 6.352 0.000 . . . . . A 9 TYR HE1 . 25636 1 83 . 1 1 9 9 TYR HE2 H 1 6.352 0.000 . . . . . A 9 TYR HE2 . 25636 1 84 . 1 1 9 9 TYR CA C 13 56.930 0.000 . . . . . A 9 TYR CA . 25636 1 85 . 1 1 9 9 TYR CB C 13 44.026 0.000 . . . . . A 9 TYR CB . 25636 1 86 . 1 1 9 9 TYR N N 15 119.745 0.000 . . . . . A 9 TYR N . 25636 1 87 . 1 1 10 10 ASP H H 1 8.948 0.009 . . . . . A 10 ASP H . 25636 1 88 . 1 1 10 10 ASP HA H 1 5.203 0.005 . . . . . A 10 ASP HA . 25636 1 89 . 1 1 10 10 ASP HB2 H 1 2.982 0.007 . . . . . A 10 ASP HB2 . 25636 1 90 . 1 1 10 10 ASP HB3 H 1 2.502 0.004 . . . . . A 10 ASP HB3 . 25636 1 91 . 1 1 10 10 ASP CA C 13 52.879 0.000 . . . . . A 10 ASP CA . 25636 1 92 . 1 1 10 10 ASP CB C 13 41.522 0.000 . . . . . A 10 ASP CB . 25636 1 93 . 1 1 10 10 ASP N N 15 118.515 0.000 . . . . . A 10 ASP N . 25636 1 94 . 1 1 11 11 GLY H H 1 9.014 0.003 . . . . . A 11 GLY H . 25636 1 95 . 1 1 11 11 GLY HA2 H 1 4.748 0.003 . . . . . A 11 GLY HA2 . 25636 1 96 . 1 1 11 11 GLY HA3 H 1 3.692 0.025 . . . . . A 11 GLY HA3 . 25636 1 97 . 1 1 11 11 GLY CA C 13 44.213 0.000 . . . . . A 11 GLY CA . 25636 1 98 . 1 1 11 11 GLY N N 15 114.853 0.000 . . . . . A 11 GLY N . 25636 1 99 . 1 1 12 12 HIS H H 1 8.133 0.017 . . . . . A 12 HIS H . 25636 1 100 . 1 1 12 12 HIS HA H 1 4.415 0.019 . . . . . A 12 HIS HA . 25636 1 101 . 1 1 12 12 HIS HB2 H 1 3.210 0.006 . . . . . A 12 HIS HB2 . 25636 1 102 . 1 1 12 12 HIS HB3 H 1 2.811 0.018 . . . . . A 12 HIS HB3 . 25636 1 103 . 1 1 12 12 HIS HD2 H 1 7.152 0.000 . . . . . A 12 HIS HD2 . 25636 1 104 . 1 1 12 12 HIS HE1 H 1 8.174 0.000 . . . . . A 12 HIS HE1 . 25636 1 105 . 1 1 12 12 HIS CA C 13 56.572 0.000 . . . . . A 12 HIS CA . 25636 1 106 . 1 1 12 12 HIS CB C 13 32.017 0.000 . . . . . A 12 HIS CB . 25636 1 107 . 1 1 12 12 HIS N N 15 114.423 0.000 . . . . . A 12 HIS N . 25636 1 108 . 1 1 13 13 LEU H H 1 8.385 0.052 . . . . . A 13 LEU H . 25636 1 109 . 1 1 13 13 LEU HA H 1 4.777 0.003 . . . . . A 13 LEU HA . 25636 1 110 . 1 1 13 13 LEU HB2 H 1 1.698 0.012 . . . . . A 13 LEU HB2 . 25636 1 111 . 1 1 13 13 LEU HB3 H 1 1.698 0.012 . . . . . A 13 LEU HB3 . 25636 1 112 . 1 1 13 13 LEU HG H 1 1.540 0.011 . . . . . A 13 LEU HG . 25636 1 113 . 1 1 13 13 LEU HD11 H 1 0.911 0.011 . . . . . A 13 LEU HD11 . 25636 1 114 . 1 1 13 13 LEU HD12 H 1 0.911 0.011 . . . . . A 13 LEU HD12 . 25636 1 115 . 1 1 13 13 LEU HD13 H 1 0.911 0.011 . . . . . A 13 LEU HD13 . 25636 1 116 . 1 1 13 13 LEU HD21 H 1 0.865 0.010 . . . . . A 13 LEU HD21 . 25636 1 117 . 1 1 13 13 LEU HD22 H 1 0.865 0.010 . . . . . A 13 LEU HD22 . 25636 1 118 . 1 1 13 13 LEU HD23 H 1 0.865 0.010 . . . . . A 13 LEU HD23 . 25636 1 119 . 1 1 13 13 LEU CA C 13 52.049 0.000 . . . . . A 13 LEU CA . 25636 1 120 . 1 1 13 13 LEU CB C 13 41.569 0.000 . . . . . A 13 LEU CB . 25636 1 121 . 1 1 13 13 LEU CG C 13 26.821 0.000 . . . . . A 13 LEU CG . 25636 1 122 . 1 1 13 13 LEU CD1 C 13 24.960 0.000 . . . . . A 13 LEU CD1 . 25636 1 123 . 1 1 13 13 LEU CD2 C 13 23.786 0.000 . . . . . A 13 LEU CD2 . 25636 1 124 . 1 1 13 13 LEU N N 15 123.763 0.000 . . . . . A 13 LEU N . 25636 1 125 . 1 1 14 14 PRO HA H 1 3.707 0.015 . . . . . A 14 PRO HA . 25636 1 126 . 1 1 14 14 PRO HB2 H 1 1.869 0.016 . . . . . A 14 PRO HB2 . 25636 1 127 . 1 1 14 14 PRO HB3 H 1 2.184 0.008 . . . . . A 14 PRO HB3 . 25636 1 128 . 1 1 14 14 PRO HG2 H 1 2.087 0.035 . . . . . A 14 PRO HG2 . 25636 1 129 . 1 1 14 14 PRO HG3 H 1 1.756 0.003 . . . . . A 14 PRO HG3 . 25636 1 130 . 1 1 14 14 PRO HD2 H 1 4.037 0.012 . . . . . A 14 PRO HD2 . 25636 1 131 . 1 1 14 14 PRO HD3 H 1 3.776 0.002 . . . . . A 14 PRO HD3 . 25636 1 132 . 1 1 14 14 PRO CA C 13 65.579 0.000 . . . . . A 14 PRO CA . 25636 1 133 . 1 1 14 14 PRO CB C 13 31.895 0.000 . . . . . A 14 PRO CB . 25636 1 134 . 1 1 14 14 PRO CG C 13 27.619 0.000 . . . . . A 14 PRO CG . 25636 1 135 . 1 1 14 14 PRO CD C 13 50.889 0.000 . . . . . A 14 PRO CD . 25636 1 136 . 1 1 15 15 ALA H H 1 8.162 0.031 . . . . . A 15 ALA H . 25636 1 137 . 1 1 15 15 ALA HA H 1 4.149 0.011 . . . . . A 15 ALA HA . 25636 1 138 . 1 1 15 15 ALA HB1 H 1 1.409 0.012 . . . . . A 15 ALA HB1 . 25636 1 139 . 1 1 15 15 ALA HB2 H 1 1.409 0.012 . . . . . A 15 ALA HB2 . 25636 1 140 . 1 1 15 15 ALA HB3 H 1 1.409 0.012 . . . . . A 15 ALA HB3 . 25636 1 141 . 1 1 15 15 ALA CA C 13 54.628 0.000 . . . . . A 15 ALA CA . 25636 1 142 . 1 1 15 15 ALA CB C 13 19.577 0.000 . . . . . A 15 ALA CB . 25636 1 143 . 1 1 15 15 ALA N N 15 115.114 0.000 . . . . . A 15 ALA N . 25636 1 144 . 1 1 16 16 THR H H 1 7.153 0.005 . . . . . A 16 THR H . 25636 1 145 . 1 1 16 16 THR HA H 1 4.553 0.005 . . . . . A 16 THR HA . 25636 1 146 . 1 1 16 16 THR HB H 1 4.366 0.002 . . . . . A 16 THR HB . 25636 1 147 . 1 1 16 16 THR HG21 H 1 1.050 0.007 . . . . . A 16 THR HG21 . 25636 1 148 . 1 1 16 16 THR HG22 H 1 1.050 0.007 . . . . . A 16 THR HG22 . 25636 1 149 . 1 1 16 16 THR HG23 H 1 1.050 0.007 . . . . . A 16 THR HG23 . 25636 1 150 . 1 1 16 16 THR CA C 13 60.331 0.000 . . . . . A 16 THR CA . 25636 1 151 . 1 1 16 16 THR CB C 13 70.574 0.000 . . . . . A 16 THR CB . 25636 1 152 . 1 1 16 16 THR CG2 C 13 22.140 0.000 . . . . . A 16 THR CG2 . 25636 1 153 . 1 1 16 16 THR N N 15 102.057 0.000 . . . . . A 16 THR N . 25636 1 154 . 1 1 17 17 ARG H H 1 7.901 0.025 . . . . . A 17 ARG H . 25636 1 155 . 1 1 17 17 ARG HA H 1 4.716 0.006 . . . . . A 17 ARG HA . 25636 1 156 . 1 1 17 17 ARG HB2 H 1 1.468 0.000 . . . . . A 17 ARG HB2 . 25636 1 157 . 1 1 17 17 ARG HB3 H 1 1.360 0.000 . . . . . A 17 ARG HB3 . 25636 1 158 . 1 1 17 17 ARG HG2 H 1 1.464 0.000 . . . . . A 17 ARG HG2 . 25636 1 159 . 1 1 17 17 ARG HG3 H 1 0.960 0.000 . . . . . A 17 ARG HG3 . 25636 1 160 . 1 1 17 17 ARG HD2 H 1 1.781 0.000 . . . . . A 17 ARG HD2 . 25636 1 161 . 1 1 17 17 ARG HD3 H 1 1.697 0.000 . . . . . A 17 ARG HD3 . 25636 1 162 . 1 1 17 17 ARG CA C 13 56.296 0.000 . . . . . A 17 ARG CA . 25636 1 163 . 1 1 17 17 ARG CB C 13 30.021 0.000 . . . . . A 17 ARG CB . 25636 1 164 . 1 1 17 17 ARG N N 15 122.509 0.000 . . . . . A 17 ARG N . 25636 1 165 . 1 1 18 18 VAL H H 1 8.568 0.014 . . . . . A 18 VAL H . 25636 1 166 . 1 1 18 18 VAL HA H 1 4.293 0.007 . . . . . A 18 VAL HA . 25636 1 167 . 1 1 18 18 VAL HB H 1 2.076 0.008 . . . . . A 18 VAL HB . 25636 1 168 . 1 1 18 18 VAL HG11 H 1 0.993 0.052 . . . . . A 18 VAL HG11 . 25636 1 169 . 1 1 18 18 VAL HG12 H 1 0.993 0.052 . . . . . A 18 VAL HG12 . 25636 1 170 . 1 1 18 18 VAL HG13 H 1 0.993 0.052 . . . . . A 18 VAL HG13 . 25636 1 171 . 1 1 18 18 VAL HG21 H 1 0.992 0.075 . . . . . A 18 VAL HG21 . 25636 1 172 . 1 1 18 18 VAL HG22 H 1 0.992 0.075 . . . . . A 18 VAL HG22 . 25636 1 173 . 1 1 18 18 VAL HG23 H 1 0.992 0.075 . . . . . A 18 VAL HG23 . 25636 1 174 . 1 1 18 18 VAL CA C 13 61.462 0.000 . . . . . A 18 VAL CA . 25636 1 175 . 1 1 18 18 VAL CB C 13 35.247 0.000 . . . . . A 18 VAL CB . 25636 1 176 . 1 1 18 18 VAL CG1 C 13 20.879 0.000 . . . . . A 18 VAL CG1 . 25636 1 177 . 1 1 18 18 VAL CG2 C 13 20.908 0.000 . . . . . A 18 VAL CG2 . 25636 1 178 . 1 1 18 18 VAL N N 15 122.027 0.000 . . . . . A 18 VAL N . 25636 1 179 . 1 1 19 19 LEU H H 1 8.670 0.036 . . . . . A 19 LEU H . 25636 1 180 . 1 1 19 19 LEU HA H 1 3.718 0.012 . . . . . A 19 LEU HA . 25636 1 181 . 1 1 19 19 LEU HB2 H 1 1.609 0.000 . . . . . A 19 LEU HB2 . 25636 1 182 . 1 1 19 19 LEU HB3 H 1 1.489 0.000 . . . . . A 19 LEU HB3 . 25636 1 183 . 1 1 19 19 LEU HG H 1 0.868 0.012 . . . . . A 19 LEU HG . 25636 1 184 . 1 1 19 19 LEU HD11 H 1 0.563 0.010 . . . . . A 19 LEU HD11 . 25636 1 185 . 1 1 19 19 LEU HD12 H 1 0.563 0.010 . . . . . A 19 LEU HD12 . 25636 1 186 . 1 1 19 19 LEU HD13 H 1 0.563 0.010 . . . . . A 19 LEU HD13 . 25636 1 187 . 1 1 19 19 LEU HD21 H 1 0.418 0.021 . . . . . A 19 LEU HD21 . 25636 1 188 . 1 1 19 19 LEU HD22 H 1 0.418 0.021 . . . . . A 19 LEU HD22 . 25636 1 189 . 1 1 19 19 LEU HD23 H 1 0.418 0.021 . . . . . A 19 LEU HD23 . 25636 1 190 . 1 1 19 19 LEU CA C 13 57.467 0.000 . . . . . A 19 LEU CA . 25636 1 191 . 1 1 19 19 LEU CB C 13 41.862 0.000 . . . . . A 19 LEU CB . 25636 1 192 . 1 1 19 19 LEU CG C 13 27.774 0.000 . . . . . A 19 LEU CG . 25636 1 193 . 1 1 19 19 LEU CD1 C 13 24.639 0.000 . . . . . A 19 LEU CD1 . 25636 1 194 . 1 1 19 19 LEU CD2 C 13 25.281 0.000 . . . . . A 19 LEU CD2 . 25636 1 195 . 1 1 19 19 LEU N N 15 130.327 0.000 . . . . . A 19 LEU N . 25636 1 196 . 1 1 20 20 LEU H H 1 9.236 0.020 . . . . . A 20 LEU H . 25636 1 197 . 1 1 20 20 LEU HA H 1 4.588 0.003 . . . . . A 20 LEU HA . 25636 1 198 . 1 1 20 20 LEU HB2 H 1 1.531 0.007 . . . . . A 20 LEU HB2 . 25636 1 199 . 1 1 20 20 LEU HB3 H 1 1.382 0.009 . . . . . A 20 LEU HB3 . 25636 1 200 . 1 1 20 20 LEU HG H 1 1.847 0.012 . . . . . A 20 LEU HG . 25636 1 201 . 1 1 20 20 LEU HD11 H 1 0.978 0.001 . . . . . A 20 LEU HD11 . 25636 1 202 . 1 1 20 20 LEU HD12 H 1 0.978 0.001 . . . . . A 20 LEU HD12 . 25636 1 203 . 1 1 20 20 LEU HD13 H 1 0.978 0.001 . . . . . A 20 LEU HD13 . 25636 1 204 . 1 1 20 20 LEU HD21 H 1 0.809 0.010 . . . . . A 20 LEU HD21 . 25636 1 205 . 1 1 20 20 LEU HD22 H 1 0.809 0.010 . . . . . A 20 LEU HD22 . 25636 1 206 . 1 1 20 20 LEU HD23 H 1 0.809 0.010 . . . . . A 20 LEU HD23 . 25636 1 207 . 1 1 20 20 LEU CA C 13 55.873 0.000 . . . . . A 20 LEU CA . 25636 1 208 . 1 1 20 20 LEU CB C 13 42.513 0.000 . . . . . A 20 LEU CB . 25636 1 209 . 1 1 20 20 LEU CG C 13 26.445 0.000 . . . . . A 20 LEU CG . 25636 1 210 . 1 1 20 20 LEU CD1 C 13 21.751 0.000 . . . . . A 20 LEU CD1 . 25636 1 211 . 1 1 20 20 LEU CD2 C 13 27.270 0.000 . . . . . A 20 LEU CD2 . 25636 1 212 . 1 1 20 20 LEU N N 15 126.389 0.000 . . . . . A 20 LEU N . 25636 1 213 . 1 1 21 21 MET H H 1 7.022 0.005 . . . . . A 21 MET H . 25636 1 214 . 1 1 21 21 MET HA H 1 4.423 0.009 . . . . . A 21 MET HA . 25636 1 215 . 1 1 21 21 MET HB2 H 1 2.066 0.005 . . . . . A 21 MET HB2 . 25636 1 216 . 1 1 21 21 MET HB3 H 1 1.693 0.018 . . . . . A 21 MET HB3 . 25636 1 217 . 1 1 21 21 MET HG2 H 1 2.454 0.015 . . . . . A 21 MET HG2 . 25636 1 218 . 1 1 21 21 MET HG3 H 1 2.454 0.015 . . . . . A 21 MET HG3 . 25636 1 219 . 1 1 21 21 MET CA C 13 56.214 0.000 . . . . . A 21 MET CA . 25636 1 220 . 1 1 21 21 MET CB C 13 36.964 0.000 . . . . . A 21 MET CB . 25636 1 221 . 1 1 21 21 MET CG C 13 31.822 0.000 . . . . . A 21 MET CG . 25636 1 222 . 1 1 21 21 MET N N 15 114.450 0.000 . . . . . A 21 MET N . 25636 1 223 . 1 1 22 22 TYR H H 1 8.515 0.032 . . . . . A 22 TYR H . 25636 1 224 . 1 1 22 22 TYR HA H 1 4.777 0.010 . . . . . A 22 TYR HA . 25636 1 225 . 1 1 22 22 TYR HB2 H 1 2.777 0.001 . . . . . A 22 TYR HB2 . 25636 1 226 . 1 1 22 22 TYR HB3 H 1 2.194 0.004 . . . . . A 22 TYR HB3 . 25636 1 227 . 1 1 22 22 TYR HD1 H 1 6.481 0.000 . . . . . A 22 TYR HD1 . 25636 1 228 . 1 1 22 22 TYR HD2 H 1 6.481 0.000 . . . . . A 22 TYR HD2 . 25636 1 229 . 1 1 22 22 TYR HE1 H 1 6.048 0.000 . . . . . A 22 TYR HE1 . 25636 1 230 . 1 1 22 22 TYR HE2 H 1 6.048 0.000 . . . . . A 22 TYR HE2 . 25636 1 231 . 1 1 22 22 TYR CA C 13 57.988 0.000 . . . . . A 22 TYR CA . 25636 1 232 . 1 1 22 22 TYR CB C 13 39.356 0.000 . . . . . A 22 TYR CB . 25636 1 233 . 1 1 22 22 TYR N N 15 123.123 0.000 . . . . . A 22 TYR N . 25636 1 234 . 1 1 23 23 VAL H H 1 9.417 0.012 . . . . . A 23 VAL H . 25636 1 235 . 1 1 23 23 VAL HA H 1 4.371 0.004 . . . . . A 23 VAL HA . 25636 1 236 . 1 1 23 23 VAL HB H 1 2.165 0.002 . . . . . A 23 VAL HB . 25636 1 237 . 1 1 23 23 VAL HG11 H 1 0.776 0.016 . . . . . A 23 VAL HG11 . 25636 1 238 . 1 1 23 23 VAL HG12 H 1 0.776 0.016 . . . . . A 23 VAL HG12 . 25636 1 239 . 1 1 23 23 VAL HG13 H 1 0.776 0.016 . . . . . A 23 VAL HG13 . 25636 1 240 . 1 1 23 23 VAL HG21 H 1 0.625 0.011 . . . . . A 23 VAL HG21 . 25636 1 241 . 1 1 23 23 VAL HG22 H 1 0.625 0.011 . . . . . A 23 VAL HG22 . 25636 1 242 . 1 1 23 23 VAL HG23 H 1 0.625 0.011 . . . . . A 23 VAL HG23 . 25636 1 243 . 1 1 23 23 VAL CA C 13 61.503 0.000 . . . . . A 23 VAL CA . 25636 1 244 . 1 1 23 23 VAL CB C 13 35.418 0.000 . . . . . A 23 VAL CB . 25636 1 245 . 1 1 23 23 VAL CG1 C 13 21.774 0.000 . . . . . A 23 VAL CG1 . 25636 1 246 . 1 1 23 23 VAL CG2 C 13 22.229 0.000 . . . . . A 23 VAL CG2 . 25636 1 247 . 1 1 23 23 VAL N N 15 123.811 0.000 . . . . . A 23 VAL N . 25636 1 248 . 1 1 24 24 ARG H H 1 8.892 0.013 . . . . . A 24 ARG H . 25636 1 249 . 1 1 24 24 ARG HA H 1 3.885 0.032 . . . . . A 24 ARG HA . 25636 1 250 . 1 1 24 24 ARG HB2 H 1 1.653 0.021 . . . . . A 24 ARG HB2 . 25636 1 251 . 1 1 24 24 ARG HB3 H 1 1.653 0.021 . . . . . A 24 ARG HB3 . 25636 1 252 . 1 1 24 24 ARG HG2 H 1 1.466 0.025 . . . . . A 24 ARG HG2 . 25636 1 253 . 1 1 24 24 ARG HG3 H 1 1.466 0.025 . . . . . A 24 ARG HG3 . 25636 1 254 . 1 1 24 24 ARG HD2 H 1 2.867 0.039 . . . . . A 24 ARG HD2 . 25636 1 255 . 1 1 24 24 ARG HD3 H 1 2.867 0.039 . . . . . A 24 ARG HD3 . 25636 1 256 . 1 1 24 24 ARG CA C 13 56.784 0.000 . . . . . A 24 ARG CA . 25636 1 257 . 1 1 24 24 ARG CB C 13 30.178 0.000 . . . . . A 24 ARG CB . 25636 1 258 . 1 1 24 24 ARG CG C 13 26.968 0.000 . . . . . A 24 ARG CG . 25636 1 259 . 1 1 24 24 ARG CD C 13 42.871 0.000 . . . . . A 24 ARG CD . 25636 1 260 . 1 1 24 24 ARG N N 15 129.194 0.000 . . . . . A 24 ARG N . 25636 1 261 . 1 1 25 25 ILE H H 1 8.312 0.009 . . . . . A 25 ILE H . 25636 1 262 . 1 1 25 25 ILE HA H 1 3.655 0.011 . . . . . A 25 ILE HA . 25636 1 263 . 1 1 25 25 ILE HB H 1 1.248 0.013 . . . . . A 25 ILE HB . 25636 1 264 . 1 1 25 25 ILE HG12 H 1 1.277 0.007 . . . . . A 25 ILE HG12 . 25636 1 265 . 1 1 25 25 ILE HG13 H 1 0.750 0.017 . . . . . A 25 ILE HG13 . 25636 1 266 . 1 1 25 25 ILE HG21 H 1 0.577 0.011 . . . . . A 25 ILE HG21 . 25636 1 267 . 1 1 25 25 ILE HG22 H 1 0.577 0.011 . . . . . A 25 ILE HG22 . 25636 1 268 . 1 1 25 25 ILE HG23 H 1 0.577 0.011 . . . . . A 25 ILE HG23 . 25636 1 269 . 1 1 25 25 ILE HD11 H 1 0.413 0.018 . . . . . A 25 ILE HD11 . 25636 1 270 . 1 1 25 25 ILE HD12 H 1 0.413 0.018 . . . . . A 25 ILE HD12 . 25636 1 271 . 1 1 25 25 ILE HD13 H 1 0.413 0.018 . . . . . A 25 ILE HD13 . 25636 1 272 . 1 1 25 25 ILE CA C 13 64.879 0.000 . . . . . A 25 ILE CA . 25636 1 273 . 1 1 25 25 ILE CB C 13 37.154 0.000 . . . . . A 25 ILE CB . 25636 1 274 . 1 1 25 25 ILE CG1 C 13 30.959 0.000 . . . . . A 25 ILE CG1 . 25636 1 275 . 1 1 25 25 ILE CG2 C 13 16.925 0.000 . . . . . A 25 ILE CG2 . 25636 1 276 . 1 1 25 25 ILE CD1 C 13 13.459 0.000 . . . . . A 25 ILE CD1 . 25636 1 277 . 1 1 25 25 ILE N N 15 128.158 0.000 . . . . . A 25 ILE N . 25636 1 278 . 1 1 26 26 GLY H H 1 9.389 0.007 . . . . . A 26 GLY H . 25636 1 279 . 1 1 26 26 GLY HA2 H 1 4.363 0.017 . . . . . A 26 GLY HA2 . 25636 1 280 . 1 1 26 26 GLY HA3 H 1 3.820 0.008 . . . . . A 26 GLY HA3 . 25636 1 281 . 1 1 26 26 GLY CA C 13 44.352 0.000 . . . . . A 26 GLY CA . 25636 1 282 . 1 1 26 26 GLY N N 15 115.464 0.000 . . . . . A 26 GLY N . 25636 1 283 . 1 1 27 27 THR H H 1 7.877 0.002 . . . . . A 27 THR H . 25636 1 284 . 1 1 27 27 THR HA H 1 4.926 0.007 . . . . . A 27 THR HA . 25636 1 285 . 1 1 27 27 THR HB H 1 4.373 0.011 . . . . . A 27 THR HB . 25636 1 286 . 1 1 27 27 THR HG21 H 1 1.047 0.015 . . . . . A 27 THR HG21 . 25636 1 287 . 1 1 27 27 THR HG22 H 1 1.047 0.015 . . . . . A 27 THR HG22 . 25636 1 288 . 1 1 27 27 THR HG23 H 1 1.047 0.015 . . . . . A 27 THR HG23 . 25636 1 289 . 1 1 27 27 THR CA C 13 60.299 0.000 . . . . . A 27 THR CA . 25636 1 290 . 1 1 27 27 THR CB C 13 72.194 0.000 . . . . . A 27 THR CB . 25636 1 291 . 1 1 27 27 THR CG2 C 13 21.619 0.000 . . . . . A 27 THR CG2 . 25636 1 292 . 1 1 27 27 THR N N 15 111.341 0.000 . . . . . A 27 THR N . 25636 1 293 . 1 1 28 28 THR H H 1 7.732 0.022 . . . . . A 28 THR H . 25636 1 294 . 1 1 28 28 THR HA H 1 5.353 0.009 . . . . . A 28 THR HA . 25636 1 295 . 1 1 28 28 THR HB H 1 3.982 0.012 . . . . . A 28 THR HB . 25636 1 296 . 1 1 28 28 THR HG21 H 1 1.017 0.008 . . . . . A 28 THR HG21 . 25636 1 297 . 1 1 28 28 THR HG22 H 1 1.017 0.008 . . . . . A 28 THR HG22 . 25636 1 298 . 1 1 28 28 THR HG23 H 1 1.017 0.008 . . . . . A 28 THR HG23 . 25636 1 299 . 1 1 28 28 THR CA C 13 59.143 0.000 . . . . . A 28 THR CA . 25636 1 300 . 1 1 28 28 THR CB C 13 71.706 0.000 . . . . . A 28 THR CB . 25636 1 301 . 1 1 28 28 THR CG2 C 13 21.603 0.000 . . . . . A 28 THR CG2 . 25636 1 302 . 1 1 28 28 THR N N 15 108.952 0.000 . . . . . A 28 THR N . 25636 1 303 . 1 1 29 29 ALA H H 1 8.634 0.009 . . . . . A 29 ALA H . 25636 1 304 . 1 1 29 29 ALA HA H 1 4.621 0.011 . . . . . A 29 ALA HA . 25636 1 305 . 1 1 29 29 ALA HB1 H 1 1.260 0.005 . . . . . A 29 ALA HB1 . 25636 1 306 . 1 1 29 29 ALA HB2 H 1 1.260 0.005 . . . . . A 29 ALA HB2 . 25636 1 307 . 1 1 29 29 ALA HB3 H 1 1.260 0.005 . . . . . A 29 ALA HB3 . 25636 1 308 . 1 1 29 29 ALA CA C 13 51.796 0.000 . . . . . A 29 ALA CA . 25636 1 309 . 1 1 29 29 ALA CB C 13 24.556 0.000 . . . . . A 29 ALA CB . 25636 1 310 . 1 1 29 29 ALA N N 15 122.383 0.000 . . . . . A 29 ALA N . 25636 1 311 . 1 1 30 30 THR H H 1 8.317 0.033 . . . . . A 30 THR H . 25636 1 312 . 1 1 30 30 THR HA H 1 4.885 0.007 . . . . . A 30 THR HA . 25636 1 313 . 1 1 30 30 THR HB H 1 3.873 0.005 . . . . . A 30 THR HB . 25636 1 314 . 1 1 30 30 THR HG21 H 1 0.966 0.023 . . . . . A 30 THR HG21 . 25636 1 315 . 1 1 30 30 THR HG22 H 1 0.966 0.023 . . . . . A 30 THR HG22 . 25636 1 316 . 1 1 30 30 THR HG23 H 1 0.966 0.023 . . . . . A 30 THR HG23 . 25636 1 317 . 1 1 30 30 THR CA C 13 62.300 0.000 . . . . . A 30 THR CA . 25636 1 318 . 1 1 30 30 THR CB C 13 69.265 0.000 . . . . . A 30 THR CB . 25636 1 319 . 1 1 30 30 THR CG2 C 13 21.717 0.000 . . . . . A 30 THR CG2 . 25636 1 320 . 1 1 30 30 THR N N 15 115.881 0.000 . . . . . A 30 THR N . 25636 1 321 . 1 1 31 31 ILE H H 1 9.166 0.017 . . . . . A 31 ILE H . 25636 1 322 . 1 1 31 31 ILE HA H 1 4.388 0.000 . . . . . A 31 ILE HA . 25636 1 323 . 1 1 31 31 ILE HB H 1 1.704 0.005 . . . . . A 31 ILE HB . 25636 1 324 . 1 1 31 31 ILE HG12 H 1 1.311 0.000 . . . . . A 31 ILE HG12 . 25636 1 325 . 1 1 31 31 ILE HG13 H 1 0.971 0.000 . . . . . A 31 ILE HG13 . 25636 1 326 . 1 1 31 31 ILE HG21 H 1 0.682 0.008 . . . . . A 31 ILE HG21 . 25636 1 327 . 1 1 31 31 ILE HG22 H 1 0.682 0.008 . . . . . A 31 ILE HG22 . 25636 1 328 . 1 1 31 31 ILE HG23 H 1 0.682 0.008 . . . . . A 31 ILE HG23 . 25636 1 329 . 1 1 31 31 ILE HD11 H 1 0.330 0.008 . . . . . A 31 ILE HD11 . 25636 1 330 . 1 1 31 31 ILE HD12 H 1 0.330 0.008 . . . . . A 31 ILE HD12 . 25636 1 331 . 1 1 31 31 ILE HD13 H 1 0.330 0.008 . . . . . A 31 ILE HD13 . 25636 1 332 . 1 1 31 31 ILE CA C 13 59.562 0.000 . . . . . A 31 ILE CA . 25636 1 333 . 1 1 31 31 ILE CB C 13 40.634 0.000 . . . . . A 31 ILE CB . 25636 1 334 . 1 1 31 31 ILE CG1 C 13 27.108 0.000 . . . . . A 31 ILE CG1 . 25636 1 335 . 1 1 31 31 ILE CG2 C 13 18.219 0.000 . . . . . A 31 ILE CG2 . 25636 1 336 . 1 1 31 31 ILE CD1 C 13 14.126 0.000 . . . . . A 31 ILE CD1 . 25636 1 337 . 1 1 31 31 ILE N N 15 126.005 0.000 . . . . . A 31 ILE N . 25636 1 338 . 1 1 32 32 THR H H 1 8.441 0.042 . . . . . A 32 THR H . 25636 1 339 . 1 1 32 32 THR HA H 1 5.300 0.003 . . . . . A 32 THR HA . 25636 1 340 . 1 1 32 32 THR HB H 1 3.933 0.013 . . . . . A 32 THR HB . 25636 1 341 . 1 1 32 32 THR HG21 H 1 1.030 0.003 . . . . . A 32 THR HG21 . 25636 1 342 . 1 1 32 32 THR HG22 H 1 1.030 0.003 . . . . . A 32 THR HG22 . 25636 1 343 . 1 1 32 32 THR HG23 H 1 1.030 0.003 . . . . . A 32 THR HG23 . 25636 1 344 . 1 1 32 32 THR CA C 13 60.885 0.000 . . . . . A 32 THR CA . 25636 1 345 . 1 1 32 32 THR CB C 13 69.867 0.000 . . . . . A 32 THR CB . 25636 1 346 . 1 1 32 32 THR CG2 C 13 20.740 0.000 . . . . . A 32 THR CG2 . 25636 1 347 . 1 1 32 32 THR N N 15 120.162 0.000 . . . . . A 32 THR N . 25636 1 348 . 1 1 33 33 ALA H H 1 9.130 0.036 . . . . . A 33 ALA H . 25636 1 349 . 1 1 33 33 ALA HA H 1 4.644 0.002 . . . . . A 33 ALA HA . 25636 1 350 . 1 1 33 33 ALA HB1 H 1 1.627 0.004 . . . . . A 33 ALA HB1 . 25636 1 351 . 1 1 33 33 ALA HB2 H 1 1.627 0.004 . . . . . A 33 ALA HB2 . 25636 1 352 . 1 1 33 33 ALA HB3 H 1 1.627 0.004 . . . . . A 33 ALA HB3 . 25636 1 353 . 1 1 33 33 ALA CA C 13 51.975 0.000 . . . . . A 33 ALA CA . 25636 1 354 . 1 1 33 33 ALA CB C 13 22.897 0.000 . . . . . A 33 ALA CB . 25636 1 355 . 1 1 33 33 ALA N N 15 127.525 0.000 . . . . . A 33 ALA N . 25636 1 356 . 1 1 34 34 ARG H H 1 9.232 0.026 . . . . . A 34 ARG H . 25636 1 357 . 1 1 34 34 ARG HA H 1 3.814 0.001 . . . . . A 34 ARG HA . 25636 1 358 . 1 1 34 34 ARG HB2 H 1 2.015 0.000 . . . . . A 34 ARG HB2 . 25636 1 359 . 1 1 34 34 ARG HB3 H 1 1.672 0.000 . . . . . A 34 ARG HB3 . 25636 1 360 . 1 1 34 34 ARG HG2 H 1 1.095 0.003 . . . . . A 34 ARG HG2 . 25636 1 361 . 1 1 34 34 ARG HG3 H 1 0.778 0.001 . . . . . A 34 ARG HG3 . 25636 1 362 . 1 1 34 34 ARG HD2 H 1 2.502 0.006 . . . . . A 34 ARG HD2 . 25636 1 363 . 1 1 34 34 ARG HD3 H 1 1.758 0.001 . . . . . A 34 ARG HD3 . 25636 1 364 . 1 1 34 34 ARG HE H 1 6.919 0.000 . . . . . A 34 ARG HE . 25636 1 365 . 1 1 34 34 ARG CA C 13 57.028 0.000 . . . . . A 34 ARG CA . 25636 1 366 . 1 1 34 34 ARG CB C 13 27.337 0.000 . . . . . A 34 ARG CB . 25636 1 367 . 1 1 34 34 ARG CG C 13 26.527 0.000 . . . . . A 34 ARG CG . 25636 1 368 . 1 1 34 34 ARG CD C 13 43.437 0.000 . . . . . A 34 ARG CD . 25636 1 369 . 1 1 34 34 ARG N N 15 118.330 0.000 . . . . . A 34 ARG N . 25636 1 370 . 1 1 35 35 GLY H H 1 8.642 0.032 . . . . . A 35 GLY H . 25636 1 371 . 1 1 35 35 GLY HA2 H 1 3.942 0.009 . . . . . A 35 GLY HA2 . 25636 1 372 . 1 1 35 35 GLY HA3 H 1 3.493 0.006 . . . . . A 35 GLY HA3 . 25636 1 373 . 1 1 35 35 GLY CA C 13 45.368 0.000 . . . . . A 35 GLY CA . 25636 1 374 . 1 1 35 35 GLY N N 15 104.002 0.000 . . . . . A 35 GLY N . 25636 1 375 . 1 1 36 36 HIS H H 1 8.188 0.002 . . . . . A 36 HIS H . 25636 1 376 . 1 1 36 36 HIS HA H 1 4.703 0.001 . . . . . A 36 HIS HA . 25636 1 377 . 1 1 36 36 HIS HB2 H 1 3.057 0.000 . . . . . A 36 HIS HB2 . 25636 1 378 . 1 1 36 36 HIS HB3 H 1 2.757 0.000 . . . . . A 36 HIS HB3 . 25636 1 379 . 1 1 36 36 HIS HD2 H 1 7.008 0.000 . . . . . A 36 HIS HD2 . 25636 1 380 . 1 1 36 36 HIS HE1 H 1 8.238 0.000 . . . . . A 36 HIS HE1 . 25636 1 381 . 1 1 36 36 HIS CA C 13 54.376 0.000 . . . . . A 36 HIS CA . 25636 1 382 . 1 1 36 36 HIS CB C 13 32.880 0.000 . . . . . A 36 HIS CB . 25636 1 383 . 1 1 36 36 HIS N N 15 119.875 0.000 . . . . . A 36 HIS N . 25636 1 384 . 1 1 37 37 GLU H H 1 7.991 0.024 . . . . . A 37 GLU H . 25636 1 385 . 1 1 37 37 GLU HA H 1 5.018 0.003 . . . . . A 37 GLU HA . 25636 1 386 . 1 1 37 37 GLU HB2 H 1 1.700 0.009 . . . . . A 37 GLU HB2 . 25636 1 387 . 1 1 37 37 GLU HB3 H 1 1.606 0.014 . . . . . A 37 GLU HB3 . 25636 1 388 . 1 1 37 37 GLU HG2 H 1 2.049 0.000 . . . . . A 37 GLU HG2 . 25636 1 389 . 1 1 37 37 GLU HG3 H 1 1.987 0.000 . . . . . A 37 GLU HG3 . 25636 1 390 . 1 1 37 37 GLU CA C 13 55.092 0.000 . . . . . A 37 GLU CA . 25636 1 391 . 1 1 37 37 GLU CB C 13 31.863 0.000 . . . . . A 37 GLU CB . 25636 1 392 . 1 1 37 37 GLU CG C 13 36.775 0.000 . . . . . A 37 GLU CG . 25636 1 393 . 1 1 37 37 GLU N N 15 119.578 0.000 . . . . . A 37 GLU N . 25636 1 394 . 1 1 38 38 PHE H H 1 9.149 0.025 . . . . . A 38 PHE H . 25636 1 395 . 1 1 38 38 PHE HA H 1 4.755 0.004 . . . . . A 38 PHE HA . 25636 1 396 . 1 1 38 38 PHE HB2 H 1 2.694 0.017 . . . . . A 38 PHE HB2 . 25636 1 397 . 1 1 38 38 PHE HB3 H 1 2.583 0.009 . . . . . A 38 PHE HB3 . 25636 1 398 . 1 1 38 38 PHE HD1 H 1 7.059 0.000 . . . . . A 38 PHE HD1 . 25636 1 399 . 1 1 38 38 PHE HD2 H 1 7.059 0.000 . . . . . A 38 PHE HD2 . 25636 1 400 . 1 1 38 38 PHE HE1 H 1 7.394 0.000 . . . . . A 38 PHE HE1 . 25636 1 401 . 1 1 38 38 PHE HE2 H 1 7.394 0.000 . . . . . A 38 PHE HE2 . 25636 1 402 . 1 1 38 38 PHE HZ H 1 7.223 0.000 . . . . . A 38 PHE HZ . 25636 1 403 . 1 1 38 38 PHE CA C 13 56.442 0.000 . . . . . A 38 PHE CA . 25636 1 404 . 1 1 38 38 PHE CB C 13 41.569 0.000 . . . . . A 38 PHE CB . 25636 1 405 . 1 1 38 38 PHE N N 15 121.593 0.000 . . . . . A 38 PHE N . 25636 1 406 . 1 1 39 39 GLU H H 1 8.539 0.020 . . . . . A 39 GLU H . 25636 1 407 . 1 1 39 39 GLU HA H 1 5.186 0.002 . . . . . A 39 GLU HA . 25636 1 408 . 1 1 39 39 GLU HB2 H 1 2.159 0.009 . . . . . A 39 GLU HB2 . 25636 1 409 . 1 1 39 39 GLU HB3 H 1 1.696 0.004 . . . . . A 39 GLU HB3 . 25636 1 410 . 1 1 39 39 GLU HG2 H 1 1.966 0.013 . . . . . A 39 GLU HG2 . 25636 1 411 . 1 1 39 39 GLU HG3 H 1 1.966 0.013 . . . . . A 39 GLU HG3 . 25636 1 412 . 1 1 39 39 GLU CA C 13 55.531 0.000 . . . . . A 39 GLU CA . 25636 1 413 . 1 1 39 39 GLU CB C 13 30.309 0.000 . . . . . A 39 GLU CB . 25636 1 414 . 1 1 39 39 GLU CG C 13 37.322 0.000 . . . . . A 39 GLU CG . 25636 1 415 . 1 1 39 39 GLU N N 15 125.332 0.000 . . . . . A 39 GLU N . 25636 1 416 . 1 1 40 40 VAL H H 1 8.773 0.012 . . . . . A 40 VAL H . 25636 1 417 . 1 1 40 40 VAL HA H 1 5.396 0.001 . . . . . A 40 VAL HA . 25636 1 418 . 1 1 40 40 VAL HB H 1 1.952 0.002 . . . . . A 40 VAL HB . 25636 1 419 . 1 1 40 40 VAL HG11 H 1 0.502 0.010 . . . . . A 40 VAL HG11 . 25636 1 420 . 1 1 40 40 VAL HG12 H 1 0.502 0.010 . . . . . A 40 VAL HG12 . 25636 1 421 . 1 1 40 40 VAL HG13 H 1 0.502 0.010 . . . . . A 40 VAL HG13 . 25636 1 422 . 1 1 40 40 VAL HG21 H 1 0.239 0.012 . . . . . A 40 VAL HG21 . 25636 1 423 . 1 1 40 40 VAL HG22 H 1 0.239 0.012 . . . . . A 40 VAL HG22 . 25636 1 424 . 1 1 40 40 VAL HG23 H 1 0.239 0.012 . . . . . A 40 VAL HG23 . 25636 1 425 . 1 1 40 40 VAL CA C 13 58.517 0.000 . . . . . A 40 VAL CA . 25636 1 426 . 1 1 40 40 VAL CB C 13 34.287 0.000 . . . . . A 40 VAL CB . 25636 1 427 . 1 1 40 40 VAL CG1 C 13 20.830 0.000 . . . . . A 40 VAL CG1 . 25636 1 428 . 1 1 40 40 VAL CG2 C 13 17.087 0.000 . . . . . A 40 VAL CG2 . 25636 1 429 . 1 1 40 40 VAL N N 15 120.623 0.000 . . . . . A 40 VAL N . 25636 1 430 . 1 1 41 41 GLU H H 1 7.973 0.006 . . . . . A 41 GLU H . 25636 1 431 . 1 1 41 41 GLU HA H 1 4.553 0.009 . . . . . A 41 GLU HA . 25636 1 432 . 1 1 41 41 GLU HB2 H 1 1.794 0.003 . . . . . A 41 GLU HB2 . 25636 1 433 . 1 1 41 41 GLU HB3 H 1 1.554 0.008 . . . . . A 41 GLU HB3 . 25636 1 434 . 1 1 41 41 GLU HG2 H 1 1.906 0.000 . . . . . A 41 GLU HG2 . 25636 1 435 . 1 1 41 41 GLU HG3 H 1 1.568 0.000 . . . . . A 41 GLU HG3 . 25636 1 436 . 1 1 41 41 GLU CA C 13 54.359 0.000 . . . . . A 41 GLU CA . 25636 1 437 . 1 1 41 41 GLU CB C 13 32.408 0.000 . . . . . A 41 GLU CB . 25636 1 438 . 1 1 41 41 GLU CG C 13 35.507 0.000 . . . . . A 41 GLU CG . 25636 1 439 . 1 1 41 41 GLU N N 15 118.742 0.000 . . . . . A 41 GLU N . 25636 1 440 . 1 1 42 42 ALA H H 1 8.181 0.003 . . . . . A 42 ALA H . 25636 1 441 . 1 1 42 42 ALA HA H 1 4.662 0.029 . . . . . A 42 ALA HA . 25636 1 442 . 1 1 42 42 ALA HB1 H 1 1.332 0.012 . . . . . A 42 ALA HB1 . 25636 1 443 . 1 1 42 42 ALA HB2 H 1 1.332 0.012 . . . . . A 42 ALA HB2 . 25636 1 444 . 1 1 42 42 ALA HB3 H 1 1.332 0.012 . . . . . A 42 ALA HB3 . 25636 1 445 . 1 1 42 42 ALA CA C 13 50.446 0.000 . . . . . A 42 ALA CA . 25636 1 446 . 1 1 42 42 ALA CB C 13 18.015 0.000 . . . . . A 42 ALA CB . 25636 1 447 . 1 1 42 42 ALA N N 15 132.540 0.000 . . . . . A 42 ALA N . 25636 1 448 . 1 1 43 43 LYS H H 1 9.029 0.027 . . . . . A 43 LYS H . 25636 1 449 . 1 1 43 43 LYS HA H 1 3.955 0.015 . . . . . A 43 LYS HA . 25636 1 450 . 1 1 43 43 LYS HB2 H 1 1.692 0.013 . . . . . A 43 LYS HB2 . 25636 1 451 . 1 1 43 43 LYS HB3 H 1 1.577 0.006 . . . . . A 43 LYS HB3 . 25636 1 452 . 1 1 43 43 LYS HG2 H 1 1.371 0.001 . . . . . A 43 LYS HG2 . 25636 1 453 . 1 1 43 43 LYS HG3 H 1 1.225 0.022 . . . . . A 43 LYS HG3 . 25636 1 454 . 1 1 43 43 LYS HD2 H 1 1.560 0.008 . . . . . A 43 LYS HD2 . 25636 1 455 . 1 1 43 43 LYS HD3 H 1 1.560 0.008 . . . . . A 43 LYS HD3 . 25636 1 456 . 1 1 43 43 LYS HE2 H 1 2.879 0.014 . . . . . A 43 LYS HE2 . 25636 1 457 . 1 1 43 43 LYS HE3 H 1 2.879 0.014 . . . . . A 43 LYS HE3 . 25636 1 458 . 1 1 43 43 LYS CA C 13 59.648 0.000 . . . . . A 43 LYS CA . 25636 1 459 . 1 1 43 43 LYS CB C 13 34.670 0.000 . . . . . A 43 LYS CB . 25636 1 460 . 1 1 43 43 LYS CG C 13 25.027 0.000 . . . . . A 43 LYS CG . 25636 1 461 . 1 1 43 43 LYS CD C 13 29.031 0.000 . . . . . A 43 LYS CD . 25636 1 462 . 1 1 43 43 LYS CE C 13 41.878 0.000 . . . . . A 43 LYS CE . 25636 1 463 . 1 1 43 43 LYS N N 15 125.936 0.000 . . . . . A 43 LYS N . 25636 1 464 . 1 1 44 44 ASP H H 1 7.463 0.005 . . . . . A 44 ASP H . 25636 1 465 . 1 1 44 44 ASP HA H 1 4.338 0.009 . . . . . A 44 ASP HA . 25636 1 466 . 1 1 44 44 ASP HB2 H 1 2.958 0.003 . . . . . A 44 ASP HB2 . 25636 1 467 . 1 1 44 44 ASP HB3 H 1 2.958 0.003 . . . . . A 44 ASP HB3 . 25636 1 468 . 1 1 44 44 ASP CA C 13 53.074 0.000 . . . . . A 44 ASP CA . 25636 1 469 . 1 1 44 44 ASP CB C 13 41.337 0.000 . . . . . A 44 ASP CB . 25636 1 470 . 1 1 44 44 ASP N N 15 110.443 0.000 . . . . . A 44 ASP N . 25636 1 471 . 1 1 45 45 GLN H H 1 8.370 0.016 . . . . . A 45 GLN H . 25636 1 472 . 1 1 45 45 GLN HA H 1 4.064 0.007 . . . . . A 45 GLN HA . 25636 1 473 . 1 1 45 45 GLN HB2 H 1 2.149 0.025 . . . . . A 45 GLN HB2 . 25636 1 474 . 1 1 45 45 GLN HB3 H 1 2.056 0.003 . . . . . A 45 GLN HB3 . 25636 1 475 . 1 1 45 45 GLN HG2 H 1 2.295 0.014 . . . . . A 45 GLN HG2 . 25636 1 476 . 1 1 45 45 GLN HG3 H 1 2.295 0.014 . . . . . A 45 GLN HG3 . 25636 1 477 . 1 1 45 45 GLN HE21 H 1 6.950 0.000 . . . . . A 45 GLN HE21 . 25636 1 478 . 1 1 45 45 GLN HE22 H 1 7.540 0.000 . . . . . A 45 GLN HE22 . 25636 1 479 . 1 1 45 45 GLN CA C 13 57.663 0.000 . . . . . A 45 GLN CA . 25636 1 480 . 1 1 45 45 GLN CB C 13 28.047 0.000 . . . . . A 45 GLN CB . 25636 1 481 . 1 1 45 45 GLN CG C 13 33.162 0.000 . . . . . A 45 GLN CG . 25636 1 482 . 1 1 45 45 GLN N N 15 112.575 0.000 . . . . . A 45 GLN N . 25636 1 483 . 1 1 46 46 ASN H H 1 8.704 0.002 . . . . . A 46 ASN H . 25636 1 484 . 1 1 46 46 ASN HA H 1 4.536 0.008 . . . . . A 46 ASN HA . 25636 1 485 . 1 1 46 46 ASN HB2 H 1 2.973 0.000 . . . . . A 46 ASN HB2 . 25636 1 486 . 1 1 46 46 ASN HB3 H 1 2.603 0.000 . . . . . A 46 ASN HB3 . 25636 1 487 . 1 1 46 46 ASN HD21 H 1 7.587 0.000 . . . . . A 46 ASN HD21 . 25636 1 488 . 1 1 46 46 ASN HD22 H 1 7.042 0.000 . . . . . A 46 ASN HD22 . 25636 1 489 . 1 1 46 46 ASN CA C 13 55.271 0.000 . . . . . A 46 ASN CA . 25636 1 490 . 1 1 46 46 ASN CB C 13 38.046 0.000 . . . . . A 46 ASN CB . 25636 1 491 . 1 1 46 46 ASN N N 15 117.659 0.000 . . . . . A 46 ASN N . 25636 1 492 . 1 1 47 47 CYS H H 1 8.486 0.017 . . . . . A 47 CYS H . 25636 1 493 . 1 1 47 47 CYS HA H 1 4.397 0.004 . . . . . A 47 CYS HA . 25636 1 494 . 1 1 47 47 CYS HB2 H 1 2.742 0.001 . . . . . A 47 CYS HB2 . 25636 1 495 . 1 1 47 47 CYS HB3 H 1 2.219 0.016 . . . . . A 47 CYS HB3 . 25636 1 496 . 1 1 47 47 CYS CA C 13 55.075 0.000 . . . . . A 47 CYS CA . 25636 1 497 . 1 1 47 47 CYS CB C 13 36.199 0.000 . . . . . A 47 CYS CB . 25636 1 498 . 1 1 47 47 CYS N N 15 112.520 0.000 . . . . . A 47 CYS N . 25636 1 499 . 1 1 48 48 LYS H H 1 7.970 0.015 . . . . . A 48 LYS H . 25636 1 500 . 1 1 48 48 LYS HA H 1 4.130 0.011 . . . . . A 48 LYS HA . 25636 1 501 . 1 1 48 48 LYS HB2 H 1 1.620 0.002 . . . . . A 48 LYS HB2 . 25636 1 502 . 1 1 48 48 LYS HB3 H 1 1.620 0.002 . . . . . A 48 LYS HB3 . 25636 1 503 . 1 1 48 48 LYS HG2 H 1 1.478 0.004 . . . . . A 48 LYS HG2 . 25636 1 504 . 1 1 48 48 LYS HG3 H 1 1.342 0.014 . . . . . A 48 LYS HG3 . 25636 1 505 . 1 1 48 48 LYS HD2 H 1 1.635 0.005 . . . . . A 48 LYS HD2 . 25636 1 506 . 1 1 48 48 LYS HD3 H 1 1.635 0.005 . . . . . A 48 LYS HD3 . 25636 1 507 . 1 1 48 48 LYS HE2 H 1 2.955 0.004 . . . . . A 48 LYS HE2 . 25636 1 508 . 1 1 48 48 LYS HE3 H 1 2.955 0.004 . . . . . A 48 LYS HE3 . 25636 1 509 . 1 1 48 48 LYS CA C 13 56.865 0.000 . . . . . A 48 LYS CA . 25636 1 510 . 1 1 48 48 LYS CB C 13 32.180 0.000 . . . . . A 48 LYS CB . 25636 1 511 . 1 1 48 48 LYS CG C 13 25.291 0.000 . . . . . A 48 LYS CG . 25636 1 512 . 1 1 48 48 LYS CD C 13 28.698 0.000 . . . . . A 48 LYS CD . 25636 1 513 . 1 1 48 48 LYS CE C 13 42.253 0.000 . . . . . A 48 LYS CE . 25636 1 514 . 1 1 48 48 LYS N N 15 116.117 0.000 . . . . . A 48 LYS N . 25636 1 515 . 1 1 49 49 VAL H H 1 8.951 0.036 . . . . . A 49 VAL H . 25636 1 516 . 1 1 49 49 VAL HA H 1 3.632 0.028 . . . . . A 49 VAL HA . 25636 1 517 . 1 1 49 49 VAL HB H 1 2.007 0.006 . . . . . A 49 VAL HB . 25636 1 518 . 1 1 49 49 VAL HG11 H 1 0.893 0.005 . . . . . A 49 VAL HG11 . 25636 1 519 . 1 1 49 49 VAL HG12 H 1 0.893 0.005 . . . . . A 49 VAL HG12 . 25636 1 520 . 1 1 49 49 VAL HG13 H 1 0.893 0.005 . . . . . A 49 VAL HG13 . 25636 1 521 . 1 1 49 49 VAL HG21 H 1 0.623 0.013 . . . . . A 49 VAL HG21 . 25636 1 522 . 1 1 49 49 VAL HG22 H 1 0.623 0.013 . . . . . A 49 VAL HG22 . 25636 1 523 . 1 1 49 49 VAL HG23 H 1 0.623 0.013 . . . . . A 49 VAL HG23 . 25636 1 524 . 1 1 49 49 VAL CA C 13 64.782 0.000 . . . . . A 49 VAL CA . 25636 1 525 . 1 1 49 49 VAL CB C 13 30.317 0.000 . . . . . A 49 VAL CB . 25636 1 526 . 1 1 49 49 VAL CG1 C 13 21.497 0.000 . . . . . A 49 VAL CG1 . 25636 1 527 . 1 1 49 49 VAL CG2 C 13 22.213 0.000 . . . . . A 49 VAL CG2 . 25636 1 528 . 1 1 49 49 VAL N N 15 126.872 0.000 . . . . . A 49 VAL N . 25636 1 529 . 1 1 50 50 ILE H H 1 8.666 0.028 . . . . . A 50 ILE H . 25636 1 530 . 1 1 50 50 ILE HA H 1 4.135 0.010 . . . . . A 50 ILE HA . 25636 1 531 . 1 1 50 50 ILE HB H 1 2.018 0.015 . . . . . A 50 ILE HB . 25636 1 532 . 1 1 50 50 ILE HG12 H 1 1.320 0.005 . . . . . A 50 ILE HG12 . 25636 1 533 . 1 1 50 50 ILE HG13 H 1 0.882 0.000 . . . . . A 50 ILE HG13 . 25636 1 534 . 1 1 50 50 ILE HG21 H 1 0.808 0.009 . . . . . A 50 ILE HG21 . 25636 1 535 . 1 1 50 50 ILE HG22 H 1 0.808 0.009 . . . . . A 50 ILE HG22 . 25636 1 536 . 1 1 50 50 ILE HG23 H 1 0.808 0.009 . . . . . A 50 ILE HG23 . 25636 1 537 . 1 1 50 50 ILE HD11 H 1 0.838 0.000 . . . . . A 50 ILE HD11 . 25636 1 538 . 1 1 50 50 ILE HD12 H 1 0.838 0.000 . . . . . A 50 ILE HD12 . 25636 1 539 . 1 1 50 50 ILE HD13 H 1 0.838 0.000 . . . . . A 50 ILE HD13 . 25636 1 540 . 1 1 50 50 ILE CA C 13 60.535 0.000 . . . . . A 50 ILE CA . 25636 1 541 . 1 1 50 50 ILE CB C 13 41.659 0.000 . . . . . A 50 ILE CB . 25636 1 542 . 1 1 50 50 ILE CG1 C 13 26.872 0.000 . . . . . A 50 ILE CG1 . 25636 1 543 . 1 1 50 50 ILE CG2 C 13 17.494 0.000 . . . . . A 50 ILE CG2 . 25636 1 544 . 1 1 50 50 ILE CD1 C 13 14.142 0.000 . . . . . A 50 ILE CD1 . 25636 1 545 . 1 1 50 50 ILE N N 15 132.487 0.000 . . . . . A 50 ILE N . 25636 1 546 . 1 1 51 51 LEU H H 1 8.789 0.032 . . . . . A 51 LEU H . 25636 1 547 . 1 1 51 51 LEU HA H 1 5.250 0.010 . . . . . A 51 LEU HA . 25636 1 548 . 1 1 51 51 LEU HB2 H 1 2.000 0.004 . . . . . A 51 LEU HB2 . 25636 1 549 . 1 1 51 51 LEU HB3 H 1 1.728 0.019 . . . . . A 51 LEU HB3 . 25636 1 550 . 1 1 51 51 LEU HG H 1 1.595 0.009 . . . . . A 51 LEU HG . 25636 1 551 . 1 1 51 51 LEU HD11 H 1 0.798 0.005 . . . . . A 51 LEU HD11 . 25636 1 552 . 1 1 51 51 LEU HD12 H 1 0.798 0.005 . . . . . A 51 LEU HD12 . 25636 1 553 . 1 1 51 51 LEU HD13 H 1 0.798 0.005 . . . . . A 51 LEU HD13 . 25636 1 554 . 1 1 51 51 LEU HD21 H 1 0.730 0.002 . . . . . A 51 LEU HD21 . 25636 1 555 . 1 1 51 51 LEU HD22 H 1 0.730 0.002 . . . . . A 51 LEU HD22 . 25636 1 556 . 1 1 51 51 LEU HD23 H 1 0.730 0.002 . . . . . A 51 LEU HD23 . 25636 1 557 . 1 1 51 51 LEU CA C 13 53.245 0.000 . . . . . A 51 LEU CA . 25636 1 558 . 1 1 51 51 LEU CB C 13 41.146 0.000 . . . . . A 51 LEU CB . 25636 1 559 . 1 1 51 51 LEU CG C 13 28.120 0.000 . . . . . A 51 LEU CG . 25636 1 560 . 1 1 51 51 LEU CD1 C 13 25.803 0.000 . . . . . A 51 LEU CD1 . 25636 1 561 . 1 1 51 51 LEU CD2 C 13 23.942 0.000 . . . . . A 51 LEU CD2 . 25636 1 562 . 1 1 51 51 LEU N N 15 125.179 0.000 . . . . . A 51 LEU N . 25636 1 563 . 1 1 52 52 THR H H 1 8.528 0.023 . . . . . A 52 THR H . 25636 1 564 . 1 1 52 52 THR HA H 1 4.079 0.009 . . . . . A 52 THR HA . 25636 1 565 . 1 1 52 52 THR HB H 1 4.258 0.010 . . . . . A 52 THR HB . 25636 1 566 . 1 1 52 52 THR HG21 H 1 1.090 0.010 . . . . . A 52 THR HG21 . 25636 1 567 . 1 1 52 52 THR HG22 H 1 1.090 0.010 . . . . . A 52 THR HG22 . 25636 1 568 . 1 1 52 52 THR HG23 H 1 1.090 0.010 . . . . . A 52 THR HG23 . 25636 1 569 . 1 1 52 52 THR CA C 13 63.822 0.000 . . . . . A 52 THR CA . 25636 1 570 . 1 1 52 52 THR CB C 13 68.335 0.000 . . . . . A 52 THR CB . 25636 1 571 . 1 1 52 52 THR CG2 C 13 23.108 0.000 . . . . . A 52 THR CG2 . 25636 1 572 . 1 1 52 52 THR N N 15 115.511 0.000 . . . . . A 52 THR N . 25636 1 573 . 1 1 53 53 ASN H H 1 8.149 0.022 . . . . . A 53 ASN H . 25636 1 574 . 1 1 53 53 ASN HA H 1 4.514 0.016 . . . . . A 53 ASN HA . 25636 1 575 . 1 1 53 53 ASN HB2 H 1 3.153 0.000 . . . . . A 53 ASN HB2 . 25636 1 576 . 1 1 53 53 ASN HB3 H 1 2.888 0.000 . . . . . A 53 ASN HB3 . 25636 1 577 . 1 1 53 53 ASN HD21 H 1 7.271 0.000 . . . . . A 53 ASN HD21 . 25636 1 578 . 1 1 53 53 ASN HD22 H 1 6.641 0.000 . . . . . A 53 ASN HD22 . 25636 1 579 . 1 1 53 53 ASN CA C 13 52.740 0.000 . . . . . A 53 ASN CA . 25636 1 580 . 1 1 53 53 ASN CB C 13 37.314 0.000 . . . . . A 53 ASN CB . 25636 1 581 . 1 1 53 53 ASN N N 15 116.941 0.000 . . . . . A 53 ASN N . 25636 1 582 . 1 1 54 54 GLY H H 1 7.949 0.007 . . . . . A 54 GLY H . 25636 1 583 . 1 1 54 54 GLY HA2 H 1 4.052 0.011 . . . . . A 54 GLY HA2 . 25636 1 584 . 1 1 54 54 GLY HA3 H 1 3.824 0.006 . . . . . A 54 GLY HA3 . 25636 1 585 . 1 1 54 54 GLY CA C 13 45.735 0.000 . . . . . A 54 GLY CA . 25636 1 586 . 1 1 54 54 GLY N N 15 106.580 0.000 . . . . . A 54 GLY N . 25636 1 587 . 1 1 55 55 LYS H H 1 7.806 0.046 . . . . . A 55 LYS H . 25636 1 588 . 1 1 55 55 LYS HA H 1 4.251 0.014 . . . . . A 55 LYS HA . 25636 1 589 . 1 1 55 55 LYS HB2 H 1 1.802 0.003 . . . . . A 55 LYS HB2 . 25636 1 590 . 1 1 55 55 LYS HB3 H 1 1.802 0.003 . . . . . A 55 LYS HB3 . 25636 1 591 . 1 1 55 55 LYS HG2 H 1 1.265 0.014 . . . . . A 55 LYS HG2 . 25636 1 592 . 1 1 55 55 LYS HG3 H 1 1.265 0.014 . . . . . A 55 LYS HG3 . 25636 1 593 . 1 1 55 55 LYS HD2 H 1 1.625 0.021 . . . . . A 55 LYS HD2 . 25636 1 594 . 1 1 55 55 LYS HD3 H 1 1.625 0.021 . . . . . A 55 LYS HD3 . 25636 1 595 . 1 1 55 55 LYS HE2 H 1 2.946 0.020 . . . . . A 55 LYS HE2 . 25636 1 596 . 1 1 55 55 LYS HE3 H 1 2.946 0.020 . . . . . A 55 LYS HE3 . 25636 1 597 . 1 1 55 55 LYS CA C 13 55.848 0.000 . . . . . A 55 LYS CA . 25636 1 598 . 1 1 55 55 LYS CB C 13 32.595 0.000 . . . . . A 55 LYS CB . 25636 1 599 . 1 1 55 55 LYS CG C 13 25.809 0.000 . . . . . A 55 LYS CG . 25636 1 600 . 1 1 55 55 LYS CD C 13 28.690 0.000 . . . . . A 55 LYS CD . 25636 1 601 . 1 1 55 55 LYS CE C 13 42.469 0.000 . . . . . A 55 LYS CE . 25636 1 602 . 1 1 55 55 LYS N N 15 120.679 0.000 . . . . . A 55 LYS N . 25636 1 603 . 1 1 56 56 GLN H H 1 8.241 0.027 . . . . . A 56 GLN H . 25636 1 604 . 1 1 56 56 GLN HA H 1 4.114 0.011 . . . . . A 56 GLN HA . 25636 1 605 . 1 1 56 56 GLN HB2 H 1 1.919 0.008 . . . . . A 56 GLN HB2 . 25636 1 606 . 1 1 56 56 GLN HB3 H 1 1.919 0.008 . . . . . A 56 GLN HB3 . 25636 1 607 . 1 1 56 56 GLN HG2 H 1 2.376 0.010 . . . . . A 56 GLN HG2 . 25636 1 608 . 1 1 56 56 GLN HG3 H 1 2.376 0.010 . . . . . A 56 GLN HG3 . 25636 1 609 . 1 1 56 56 GLN HE21 H 1 6.838 0.000 . . . . . A 56 GLN HE21 . 25636 1 610 . 1 1 56 56 GLN HE22 H 1 7.644 0.000 . . . . . A 56 GLN HE22 . 25636 1 611 . 1 1 56 56 GLN CA C 13 55.865 0.000 . . . . . A 56 GLN CA . 25636 1 612 . 1 1 56 56 GLN CB C 13 29.228 0.000 . . . . . A 56 GLN CB . 25636 1 613 . 1 1 56 56 GLN CG C 13 33.620 0.000 . . . . . A 56 GLN CG . 25636 1 614 . 1 1 56 56 GLN N N 15 119.471 0.000 . . . . . A 56 GLN N . 25636 1 615 . 1 1 57 57 ALA H H 1 8.667 0.040 . . . . . A 57 ALA H . 25636 1 616 . 1 1 57 57 ALA HA H 1 4.136 0.002 . . . . . A 57 ALA HA . 25636 1 617 . 1 1 57 57 ALA HB1 H 1 1.065 0.006 . . . . . A 57 ALA HB1 . 25636 1 618 . 1 1 57 57 ALA HB2 H 1 1.065 0.006 . . . . . A 57 ALA HB2 . 25636 1 619 . 1 1 57 57 ALA HB3 H 1 1.065 0.006 . . . . . A 57 ALA HB3 . 25636 1 620 . 1 1 57 57 ALA CA C 13 50.210 0.000 . . . . . A 57 ALA CA . 25636 1 621 . 1 1 57 57 ALA CB C 13 18.056 0.000 . . . . . A 57 ALA CB . 25636 1 622 . 1 1 57 57 ALA N N 15 129.241 0.000 . . . . . A 57 ALA N . 25636 1 623 . 1 1 58 58 PRO HA H 1 4.181 0.009 . . . . . A 58 PRO HA . 25636 1 624 . 1 1 58 58 PRO HB2 H 1 0.003 0.016 . . . . . A 58 PRO HB2 . 25636 1 625 . 1 1 58 58 PRO HB3 H 1 1.740 0.003 . . . . . A 58 PRO HB3 . 25636 1 626 . 1 1 58 58 PRO HG2 H 1 1.435 0.000 . . . . . A 58 PRO HG2 . 25636 1 627 . 1 1 58 58 PRO HG3 H 1 0.694 0.003 . . . . . A 58 PRO HG3 . 25636 1 628 . 1 1 58 58 PRO HD2 H 1 3.413 0.000 . . . . . A 58 PRO HD2 . 25636 1 629 . 1 1 58 58 PRO HD3 H 1 2.508 0.000 . . . . . A 58 PRO HD3 . 25636 1 630 . 1 1 58 58 PRO CA C 13 62.162 0.000 . . . . . A 58 PRO CA . 25636 1 631 . 1 1 58 58 PRO CB C 13 31.226 0.000 . . . . . A 58 PRO CB . 25636 1 632 . 1 1 58 58 PRO CG C 13 27.444 0.000 . . . . . A 58 PRO CG . 25636 1 633 . 1 1 58 58 PRO CD C 13 49.686 0.000 . . . . . A 58 PRO CD . 25636 1 634 . 1 1 59 59 ASP H H 1 8.576 0.039 . . . . . A 59 ASP H . 25636 1 635 . 1 1 59 59 ASP HA H 1 4.151 0.018 . . . . . A 59 ASP HA . 25636 1 636 . 1 1 59 59 ASP HB2 H 1 2.716 0.003 . . . . . A 59 ASP HB2 . 25636 1 637 . 1 1 59 59 ASP HB3 H 1 2.716 0.003 . . . . . A 59 ASP HB3 . 25636 1 638 . 1 1 59 59 ASP CA C 13 56.483 0.000 . . . . . A 59 ASP CA . 25636 1 639 . 1 1 59 59 ASP CB C 13 40.568 0.000 . . . . . A 59 ASP CB . 25636 1 640 . 1 1 59 59 ASP N N 15 120.839 0.000 . . . . . A 59 ASP N . 25636 1 641 . 1 1 60 60 TRP H H 1 6.701 0.004 . . . . . A 60 TRP H . 25636 1 642 . 1 1 60 60 TRP HA H 1 4.460 0.001 . . . . . A 60 TRP HA . 25636 1 643 . 1 1 60 60 TRP HB2 H 1 3.682 0.004 . . . . . A 60 TRP HB2 . 25636 1 644 . 1 1 60 60 TRP HB3 H 1 3.077 0.007 . . . . . A 60 TRP HB3 . 25636 1 645 . 1 1 60 60 TRP HD1 H 1 7.315 0.000 . . . . . A 60 TRP HD1 . 25636 1 646 . 1 1 60 60 TRP HE1 H 1 10.334 0.000 . . . . . A 60 TRP HE1 . 25636 1 647 . 1 1 60 60 TRP HE3 H 1 7.228 0.000 . . . . . A 60 TRP HE3 . 25636 1 648 . 1 1 60 60 TRP HZ2 H 1 7.387 0.000 . . . . . A 60 TRP HZ2 . 25636 1 649 . 1 1 60 60 TRP HZ3 H 1 6.564 0.000 . . . . . A 60 TRP HZ3 . 25636 1 650 . 1 1 60 60 TRP HH2 H 1 6.905 0.000 . . . . . A 60 TRP HH2 . 25636 1 651 . 1 1 60 60 TRP CA C 13 54.579 0.000 . . . . . A 60 TRP CA . 25636 1 652 . 1 1 60 60 TRP CB C 13 29.366 0.000 . . . . . A 60 TRP CB . 25636 1 653 . 1 1 60 60 TRP N N 15 114.095 0.000 . . . . . A 60 TRP N . 25636 1 654 . 1 1 61 61 LEU H H 1 6.541 0.000 . . . . . A 61 LEU H . 25636 1 655 . 1 1 61 61 LEU HA H 1 4.743 0.018 . . . . . A 61 LEU HA . 25636 1 656 . 1 1 61 61 LEU HB2 H 1 1.249 0.006 . . . . . A 61 LEU HB2 . 25636 1 657 . 1 1 61 61 LEU HB3 H 1 0.190 0.017 . . . . . A 61 LEU HB3 . 25636 1 658 . 1 1 61 61 LEU HG H 1 1.151 0.009 . . . . . A 61 LEU HG . 25636 1 659 . 1 1 61 61 LEU HD11 H 1 0.579 0.013 . . . . . A 61 LEU HD11 . 25636 1 660 . 1 1 61 61 LEU HD12 H 1 0.579 0.013 . . . . . A 61 LEU HD12 . 25636 1 661 . 1 1 61 61 LEU HD13 H 1 0.579 0.013 . . . . . A 61 LEU HD13 . 25636 1 662 . 1 1 61 61 LEU HD21 H 1 0.246 0.012 . . . . . A 61 LEU HD21 . 25636 1 663 . 1 1 61 61 LEU HD22 H 1 0.246 0.012 . . . . . A 61 LEU HD22 . 25636 1 664 . 1 1 61 61 LEU HD23 H 1 0.246 0.012 . . . . . A 61 LEU HD23 . 25636 1 665 . 1 1 61 61 LEU CA C 13 54.839 0.000 . . . . . A 61 LEU CA . 25636 1 666 . 1 1 61 61 LEU CB C 13 42.083 0.000 . . . . . A 61 LEU CB . 25636 1 667 . 1 1 61 61 LEU CG C 13 26.867 0.000 . . . . . A 61 LEU CG . 25636 1 668 . 1 1 61 61 LEU CD1 C 13 23.704 0.000 . . . . . A 61 LEU CD1 . 25636 1 669 . 1 1 61 61 LEU CD2 C 13 25.394 0.000 . . . . . A 61 LEU CD2 . 25636 1 670 . 1 1 61 61 LEU N N 15 123.142 0.000 . . . . . A 61 LEU N . 25636 1 671 . 1 1 62 62 ALA H H 1 8.993 0.020 . . . . . A 62 ALA H . 25636 1 672 . 1 1 62 62 ALA HA H 1 4.644 0.004 . . . . . A 62 ALA HA . 25636 1 673 . 1 1 62 62 ALA HB1 H 1 0.931 0.020 . . . . . A 62 ALA HB1 . 25636 1 674 . 1 1 62 62 ALA HB2 H 1 0.931 0.020 . . . . . A 62 ALA HB2 . 25636 1 675 . 1 1 62 62 ALA HB3 H 1 0.931 0.020 . . . . . A 62 ALA HB3 . 25636 1 676 . 1 1 62 62 ALA CA C 13 50.478 0.000 . . . . . A 62 ALA CA . 25636 1 677 . 1 1 62 62 ALA CB C 13 23.434 0.000 . . . . . A 62 ALA CB . 25636 1 678 . 1 1 62 62 ALA N N 15 131.106 0.000 . . . . . A 62 ALA N . 25636 1 679 . 1 1 63 63 ALA H H 1 8.139 0.030 . . . . . A 63 ALA H . 25636 1 680 . 1 1 63 63 ALA HA H 1 5.633 0.001 . . . . . A 63 ALA HA . 25636 1 681 . 1 1 63 63 ALA HB1 H 1 0.625 0.008 . . . . . A 63 ALA HB1 . 25636 1 682 . 1 1 63 63 ALA HB2 H 1 0.625 0.008 . . . . . A 63 ALA HB2 . 25636 1 683 . 1 1 63 63 ALA HB3 H 1 0.625 0.008 . . . . . A 63 ALA HB3 . 25636 1 684 . 1 1 63 63 ALA CA C 13 51.143 0.000 . . . . . A 63 ALA CA . 25636 1 685 . 1 1 63 63 ALA CB C 13 22.490 0.000 . . . . . A 63 ALA CB . 25636 1 686 . 1 1 63 63 ALA N N 15 118.796 0.000 . . . . . A 63 ALA N . 25636 1 687 . 1 1 64 64 GLU H H 1 8.563 0.004 . . . . . A 64 GLU H . 25636 1 688 . 1 1 64 64 GLU HA H 1 4.902 0.001 . . . . . A 64 GLU HA . 25636 1 689 . 1 1 64 64 GLU HB2 H 1 2.159 0.001 . . . . . A 64 GLU HB2 . 25636 1 690 . 1 1 64 64 GLU HB3 H 1 1.982 0.007 . . . . . A 64 GLU HB3 . 25636 1 691 . 1 1 64 64 GLU HG2 H 1 2.335 0.000 . . . . . A 64 GLU HG2 . 25636 1 692 . 1 1 64 64 GLU HG3 H 1 2.164 0.000 . . . . . A 64 GLU HG3 . 25636 1 693 . 1 1 64 64 GLU CA C 13 53.009 0.000 . . . . . A 64 GLU CA . 25636 1 694 . 1 1 64 64 GLU CB C 13 32.619 0.000 . . . . . A 64 GLU CB . 25636 1 695 . 1 1 64 64 GLU CG C 13 35.642 0.000 . . . . . A 64 GLU CG . 25636 1 696 . 1 1 64 64 GLU N N 15 116.715 0.000 . . . . . A 64 GLU N . 25636 1 697 . 1 1 65 65 PRO HA H 1 5.486 0.006 . . . . . A 65 PRO HA . 25636 1 698 . 1 1 65 65 PRO HB2 H 1 1.905 0.006 . . . . . A 65 PRO HB2 . 25636 1 699 . 1 1 65 65 PRO HB3 H 1 2.380 0.008 . . . . . A 65 PRO HB3 . 25636 1 700 . 1 1 65 65 PRO HG2 H 1 2.093 0.024 . . . . . A 65 PRO HG2 . 25636 1 701 . 1 1 65 65 PRO HG3 H 1 2.093 0.024 . . . . . A 65 PRO HG3 . 25636 1 702 . 1 1 65 65 PRO HD2 H 1 3.767 0.012 . . . . . A 65 PRO HD2 . 25636 1 703 . 1 1 65 65 PRO HD3 H 1 3.498 0.019 . . . . . A 65 PRO HD3 . 25636 1 704 . 1 1 65 65 PRO CA C 13 62.878 0.000 . . . . . A 65 PRO CA . 25636 1 705 . 1 1 65 65 PRO CB C 13 32.606 0.000 . . . . . A 65 PRO CB . 25636 1 706 . 1 1 65 65 PRO CG C 13 27.536 0.000 . . . . . A 65 PRO CG . 25636 1 707 . 1 1 65 65 PRO CD C 13 50.559 0.000 . . . . . A 65 PRO CD . 25636 1 708 . 1 1 66 66 TYR H H 1 8.844 0.009 . . . . . A 66 TYR H . 25636 1 709 . 1 1 66 66 TYR HA H 1 4.397 0.007 . . . . . A 66 TYR HA . 25636 1 710 . 1 1 66 66 TYR HB2 H 1 3.021 0.006 . . . . . A 66 TYR HB2 . 25636 1 711 . 1 1 66 66 TYR HB3 H 1 2.708 0.011 . . . . . A 66 TYR HB3 . 25636 1 712 . 1 1 66 66 TYR HD1 H 1 7.226 0.000 . . . . . A 66 TYR HD1 . 25636 1 713 . 1 1 66 66 TYR HD2 H 1 7.226 0.000 . . . . . A 66 TYR HD2 . 25636 1 714 . 1 1 66 66 TYR HE1 H 1 6.777 0.000 . . . . . A 66 TYR HE1 . 25636 1 715 . 1 1 66 66 TYR HE2 H 1 6.777 0.000 . . . . . A 66 TYR HE2 . 25636 1 716 . 1 1 66 66 TYR CA C 13 61.438 0.000 . . . . . A 66 TYR CA . 25636 1 717 . 1 1 66 66 TYR CB C 13 43.156 0.000 . . . . . A 66 TYR CB . 25636 1 718 . 1 1 66 66 TYR N N 15 127.202 0.000 . . . . . A 66 TYR N . 25636 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 25636 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 13 '2D 1H-15N heteronuclear NOE' . . . 25636 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ALA N N 15 . 1 1 3 3 ALA H H 1 0.44 0.01 . . . . . . . . . . 25636 1 2 . 1 1 4 4 ARG N N 15 . 1 1 4 4 ARG H H 1 0.68 0.03 . . . . . . . . . . 25636 1 3 . 1 1 5 5 PHE N N 15 . 1 1 5 5 PHE H H 1 0.80 0.02 . . . . . . . . . . 25636 1 4 . 1 1 6 6 CYS N N 15 . 1 1 6 6 CYS H H 1 0.75 0.02 . . . . . . . . . . 25636 1 5 . 1 1 7 7 VAL N N 15 . 1 1 7 7 VAL H H 1 0.78 0.02 . . . . . . . . . . 25636 1 6 . 1 1 8 8 TYR N N 15 . 1 1 8 8 TYR H H 1 0.77 0.02 . . . . . . . . . . 25636 1 7 . 1 1 9 9 TYR N N 15 . 1 1 9 9 TYR H H 1 0.79 0.02 . . . . . . . . . . 25636 1 8 . 1 1 10 10 ASP N N 15 . 1 1 10 10 ASP H H 1 0.73 0.02 . . . . . . . . . . 25636 1 9 . 1 1 11 11 GLY N N 15 . 1 1 11 11 GLY H H 1 0.77 0.02 . . . . . . . . . . 25636 1 10 . 1 1 12 12 HIS N N 15 . 1 1 12 12 HIS H H 1 0.83 0.02 . . . . . . . . . . 25636 1 11 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.85 0.02 . . . . . . . . . . 25636 1 12 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.83 0.02 . . . . . . . . . . 25636 1 13 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.79 0.02 . . . . . . . . . . 25636 1 14 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.75 0.01 . . . . . . . . . . 25636 1 15 . 1 1 18 18 VAL N N 15 . 1 1 18 18 VAL H H 1 0.75 0.02 . . . . . . . . . . 25636 1 16 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.74 0.01 . . . . . . . . . . 25636 1 17 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.76 0.02 . . . . . . . . . . 25636 1 18 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.71 0.02 . . . . . . . . . . 25636 1 19 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.74 0.02 . . . . . . . . . . 25636 1 20 . 1 1 23 23 VAL N N 15 . 1 1 23 23 VAL H H 1 0.78 0.02 . . . . . . . . . . 25636 1 21 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.74 0.02 . . . . . . . . . . 25636 1 22 . 1 1 25 25 ILE N N 15 . 1 1 25 25 ILE H H 1 0.77 0.02 . . . . . . . . . . 25636 1 23 . 1 1 26 26 GLY N N 15 . 1 1 26 26 GLY H H 1 0.79 0.02 . . . . . . . . . . 25636 1 24 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.79 0.02 . . . . . . . . . . 25636 1 25 . 1 1 28 28 THR N N 15 . 1 1 28 28 THR H H 1 0.81 0.02 . . . . . . . . . . 25636 1 26 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.78 0.01 . . . . . . . . . . 25636 1 27 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.76 0.02 . . . . . . . . . . 25636 1 28 . 1 1 31 31 ILE N N 15 . 1 1 31 31 ILE H H 1 0.80 0.02 . . . . . . . . . . 25636 1 29 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.78 0.02 . . . . . . . . . . 25636 1 30 . 1 1 33 33 ALA N N 15 . 1 1 33 33 ALA H H 1 0.81 0.02 . . . . . . . . . . 25636 1 31 . 1 1 34 34 ARG N N 15 . 1 1 34 34 ARG H H 1 0.75 0.02 . . . . . . . . . . 25636 1 32 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.82 0.02 . . . . . . . . . . 25636 1 33 . 1 1 36 36 HIS N N 15 . 1 1 36 36 HIS H H 1 0.78 0.01 . . . . . . . . . . 25636 1 34 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 0.78 0.02 . . . . . . . . . . 25636 1 35 . 1 1 38 38 PHE N N 15 . 1 1 38 38 PHE H H 1 0.76 0.02 . . . . . . . . . . 25636 1 36 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.68 0.01 . . . . . . . . . . 25636 1 37 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.80 0.02 . . . . . . . . . . 25636 1 38 . 1 1 41 41 GLU N N 15 . 1 1 41 41 GLU H H 1 0.78 0.02 . . . . . . . . . . 25636 1 39 . 1 1 42 42 ALA N N 15 . 1 1 42 42 ALA H H 1 0.77 0.02 . . . . . . . . . . 25636 1 40 . 1 1 43 43 LYS N N 15 . 1 1 43 43 LYS H H 1 0.81 0.02 . . . . . . . . . . 25636 1 41 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.83 0.01 . . . . . . . . . . 25636 1 42 . 1 1 45 45 GLN N N 15 . 1 1 45 45 GLN H H 1 0.78 0.02 . . . . . . . . . . 25636 1 43 . 1 1 46 46 ASN N N 15 . 1 1 46 46 ASN H H 1 0.84 0.02 . . . . . . . . . . 25636 1 44 . 1 1 47 47 CYS N N 15 . 1 1 47 47 CYS H H 1 0.80 0.01 . . . . . . . . . . 25636 1 45 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.80 0.01 . . . . . . . . . . 25636 1 46 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.72 0.01 . . . . . . . . . . 25636 1 47 . 1 1 50 50 ILE N N 15 . 1 1 50 50 ILE H H 1 0.80 0.02 . . . . . . . . . . 25636 1 48 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.77 0.02 . . . . . . . . . . 25636 1 49 . 1 1 52 52 THR N N 15 . 1 1 52 52 THR H H 1 0.75 0.01 . . . . . . . . . . 25636 1 50 . 1 1 53 53 ASN N N 15 . 1 1 53 53 ASN H H 1 0.88 0.02 . . . . . . . . . . 25636 1 51 . 1 1 54 54 GLY N N 15 . 1 1 54 54 GLY H H 1 0.75 0.01 . . . . . . . . . . 25636 1 52 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.81 0.02 . . . . . . . . . . 25636 1 53 . 1 1 56 56 GLN N N 15 . 1 1 56 56 GLN H H 1 0.74 0.01 . . . . . . . . . . 25636 1 54 . 1 1 57 57 ALA N N 15 . 1 1 57 57 ALA H H 1 0.76 0.01 . . . . . . . . . . 25636 1 55 . 1 1 59 59 ASP N N 15 . 1 1 59 59 ASP H H 1 0.87 0.02 . . . . . . . . . . 25636 1 56 . 1 1 60 60 TRP N N 15 . 1 1 60 60 TRP H H 1 0.82 0.01 . . . . . . . . . . 25636 1 57 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.80 0.01 . . . . . . . . . . 25636 1 58 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.77 0.02 . . . . . . . . . . 25636 1 59 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.76 0.01 . . . . . . . . . . 25636 1 60 . 1 1 64 64 GLU N N 15 . 1 1 64 64 GLU H H 1 0.73 0.02 . . . . . . . . . . 25636 1 61 . 1 1 66 66 TYR N N 15 . 1 1 66 66 TYR H H 1 0.74 0.02 . . . . . . . . . . 25636 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 25636 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 14 '2D 1H-15N T1' . . . 25636 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ALA N N 15 1.86 0.07 . . . . . 25636 1 2 . 1 1 4 4 ARG N N 15 1.96 0.17 . . . . . 25636 1 3 . 1 1 5 5 PHE N N 15 2.14 0.08 . . . . . 25636 1 4 . 1 1 6 6 CYS N N 15 2.26 0.08 . . . . . 25636 1 5 . 1 1 7 7 VAL N N 15 2.28 0.06 . . . . . 25636 1 6 . 1 1 8 8 TYR N N 15 2.25 0.05 . . . . . 25636 1 7 . 1 1 9 9 TYR N N 15 2.33 0.15 . . . . . 25636 1 8 . 1 1 10 10 ASP N N 15 2.10 0.11 . . . . . 25636 1 9 . 1 1 11 11 GLY N N 15 2.26 0.13 . . . . . 25636 1 10 . 1 1 12 12 HIS N N 15 2.32 0.02 . . . . . 25636 1 11 . 1 1 13 13 LEU N N 15 2.49 0.06 . . . . . 25636 1 12 . 1 1 15 15 ALA N N 15 2.48 0.03 . . . . . 25636 1 13 . 1 1 16 16 THR N N 15 2.33 0.14 . . . . . 25636 1 14 . 1 1 17 17 ARG N N 15 2.04 0.07 . . . . . 25636 1 15 . 1 1 18 18 VAL N N 15 2.25 0.10 . . . . . 25636 1 16 . 1 1 19 19 LEU N N 15 2.18 0.03 . . . . . 25636 1 17 . 1 1 20 20 LEU N N 15 2.30 0.12 . . . . . 25636 1 18 . 1 1 21 21 MET N N 15 2.07 0.14 . . . . . 25636 1 19 . 1 1 22 22 TYR N N 15 1.87 0.01 . . . . . 25636 1 20 . 1 1 23 23 VAL N N 15 2.20 0.12 . . . . . 25636 1 21 . 1 1 24 24 ARG N N 15 2.28 0.15 . . . . . 25636 1 22 . 1 1 25 25 ILE N N 15 2.35 0.10 . . . . . 25636 1 23 . 1 1 26 26 GLY N N 15 2.24 0.06 . . . . . 25636 1 24 . 1 1 27 27 THR N N 15 2.36 0.10 . . . . . 25636 1 25 . 1 1 28 28 THR N N 15 2.07 0.02 . . . . . 25636 1 26 . 1 1 29 29 ALA N N 15 2.25 0.10 . . . . . 25636 1 27 . 1 1 30 30 THR N N 15 2.01 0.05 . . . . . 25636 1 28 . 1 1 31 31 ILE N N 15 2.33 0.09 . . . . . 25636 1 29 . 1 1 32 32 THR N N 15 2.03 0.01 . . . . . 25636 1 30 . 1 1 33 33 ALA N N 15 2.14 0.02 . . . . . 25636 1 31 . 1 1 34 34 ARG N N 15 2.46 0.06 . . . . . 25636 1 32 . 1 1 35 35 GLY N N 15 2.49 0.02 . . . . . 25636 1 33 . 1 1 36 36 HIS N N 15 2.39 0.11 . . . . . 25636 1 34 . 1 1 37 37 GLU N N 15 2.25 0.06 . . . . . 25636 1 35 . 1 1 38 38 PHE N N 15 1.95 0.03 . . . . . 25636 1 36 . 1 1 39 39 GLU N N 15 2.10 0.11 . . . . . 25636 1 37 . 1 1 40 40 VAL N N 15 2.36 0.11 . . . . . 25636 1 38 . 1 1 41 41 GLU N N 15 2.20 0.10 . . . . . 25636 1 39 . 1 1 42 42 ALA N N 15 2.28 0.07 . . . . . 25636 1 40 . 1 1 43 43 LYS N N 15 2.18 0.07 . . . . . 25636 1 41 . 1 1 44 44 ASP N N 15 2.41 0.18 . . . . . 25636 1 42 . 1 1 45 45 GLN N N 15 2.14 0.08 . . . . . 25636 1 43 . 1 1 46 46 ASN N N 15 2.51 0.15 . . . . . 25636 1 44 . 1 1 47 47 CYS N N 15 2.46 0.09 . . . . . 25636 1 45 . 1 1 48 48 LYS N N 15 2.40 0.09 . . . . . 25636 1 46 . 1 1 49 49 VAL N N 15 2.32 0.02 . . . . . 25636 1 47 . 1 1 50 50 ILE N N 15 2.40 0.04 . . . . . 25636 1 48 . 1 1 51 51 LEU N N 15 2.16 0.02 . . . . . 25636 1 49 . 1 1 52 52 THR N N 15 2.27 0.07 . . . . . 25636 1 50 . 1 1 53 53 ASN N N 15 2.18 0.07 . . . . . 25636 1 51 . 1 1 54 54 GLY N N 15 2.14 0.10 . . . . . 25636 1 52 . 1 1 55 55 LYS N N 15 1.98 0.04 . . . . . 25636 1 53 . 1 1 56 56 GLN N N 15 2.03 0.07 . . . . . 25636 1 54 . 1 1 57 57 ALA N N 15 2.12 0.17 . . . . . 25636 1 55 . 1 1 59 59 ASP N N 15 2.30 0.06 . . . . . 25636 1 56 . 1 1 60 60 TRP N N 15 2.33 0.18 . . . . . 25636 1 57 . 1 1 61 61 LEU N N 15 2.46 0.18 . . . . . 25636 1 58 . 1 1 62 62 ALA N N 15 2.27 0.09 . . . . . 25636 1 59 . 1 1 63 63 ALA N N 15 2.01 0.03 . . . . . 25636 1 60 . 1 1 64 64 GLU N N 15 2.24 0.12 . . . . . 25636 1 61 . 1 1 66 66 TYR N N 15 2.15 0.12 . . . . . 25636 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 25636 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 15 '2D 1H-15N T2' . . . 25636 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ALA N N 15 5.81 0.17 . . . . . . . 25636 1 2 . 1 1 4 4 ARG N N 15 7.78 0.27 . . . . . . . 25636 1 3 . 1 1 5 5 PHE N N 15 7.89 0.24 . . . . . . . 25636 1 4 . 1 1 6 6 CYS N N 15 7.60 0.24 . . . . . . . 25636 1 5 . 1 1 7 7 VAL N N 15 7.25 0.15 . . . . . . . 25636 1 6 . 1 1 8 8 TYR N N 15 7.03 0.23 . . . . . . . 25636 1 7 . 1 1 9 9 TYR N N 15 8.44 0.20 . . . . . . . 25636 1 8 . 1 1 10 10 ASP N N 15 7.50 0.23 . . . . . . . 25636 1 9 . 1 1 11 11 GLY N N 15 7.58 0.16 . . . . . . . 25636 1 10 . 1 1 12 12 HIS N N 15 8.73 0.28 . . . . . . . 25636 1 11 . 1 1 13 13 LEU N N 15 8.73 0.26 . . . . . . . 25636 1 12 . 1 1 15 15 ALA N N 15 10.90 0.38 . . . . . . . 25636 1 13 . 1 1 16 16 THR N N 15 7.88 0.24 . . . . . . . 25636 1 14 . 1 1 17 17 ARG N N 15 7.72 0.25 . . . . . . . 25636 1 15 . 1 1 18 18 VAL N N 15 8.19 0.21 . . . . . . . 25636 1 16 . 1 1 19 19 LEU N N 15 9.48 0.39 . . . . . . . 25636 1 17 . 1 1 20 20 LEU N N 15 7.61 0.18 . . . . . . . 25636 1 18 . 1 1 21 21 MET N N 15 7.57 0.22 . . . . . . . 25636 1 19 . 1 1 22 22 TYR N N 15 6.69 0.22 . . . . . . . 25636 1 20 . 1 1 23 23 VAL N N 15 7.18 0.19 . . . . . . . 25636 1 21 . 1 1 24 24 ARG N N 15 9.63 0.41 . . . . . . . 25636 1 22 . 1 1 25 25 ILE N N 15 9.79 0.33 . . . . . . . 25636 1 23 . 1 1 26 26 GLY N N 15 8.16 0.23 . . . . . . . 25636 1 24 . 1 1 27 27 THR N N 15 7.68 0.18 . . . . . . . 25636 1 25 . 1 1 28 28 THR N N 15 8.25 0.26 . . . . . . . 25636 1 26 . 1 1 29 29 ALA N N 15 8.28 0.21 . . . . . . . 25636 1 27 . 1 1 30 30 THR N N 15 7.32 0.22 . . . . . . . 25636 1 28 . 1 1 31 31 ILE N N 15 7.80 0.27 . . . . . . . 25636 1 29 . 1 1 32 32 THR N N 15 8.26 0.23 . . . . . . . 25636 1 30 . 1 1 33 33 ALA N N 15 8.57 0.25 . . . . . . . 25636 1 31 . 1 1 34 34 ARG N N 15 8.63 0.22 . . . . . . . 25636 1 32 . 1 1 35 35 GLY N N 15 10.12 0.30 . . . . . . . 25636 1 33 . 1 1 36 36 HIS N N 15 7.76 0.18 . . . . . . . 25636 1 34 . 1 1 37 37 GLU N N 15 7.33 0.23 . . . . . . . 25636 1 35 . 1 1 38 38 PHE N N 15 7.23 0.17 . . . . . . . 25636 1 36 . 1 1 39 39 GLU N N 15 6.74 0.18 . . . . . . . 25636 1 37 . 1 1 40 40 VAL N N 15 8.79 0.23 . . . . . . . 25636 1 38 . 1 1 41 41 GLU N N 15 8.08 0.25 . . . . . . . 25636 1 39 . 1 1 42 42 ALA N N 15 8.73 0.20 . . . . . . . 25636 1 40 . 1 1 43 43 LYS N N 15 7.73 0.14 . . . . . . . 25636 1 41 . 1 1 44 44 ASP N N 15 7.61 0.19 . . . . . . . 25636 1 42 . 1 1 45 45 GLN N N 15 6.97 0.27 . . . . . . . 25636 1 43 . 1 1 46 46 ASN N N 15 8.17 0.19 . . . . . . . 25636 1 44 . 1 1 47 47 CYS N N 15 8.30 0.18 . . . . . . . 25636 1 45 . 1 1 48 48 LYS N N 15 8.79 0.25 . . . . . . . 25636 1 46 . 1 1 49 49 VAL N N 15 8.49 0.27 . . . . . . . 25636 1 47 . 1 1 50 50 ILE N N 15 10.31 0.30 . . . . . . . 25636 1 48 . 1 1 51 51 LEU N N 15 7.00 0.13 . . . . . . . 25636 1 49 . 1 1 52 52 THR N N 15 12.12 0.42 . . . . . . . 25636 1 50 . 1 1 53 53 ASN N N 15 9.27 0.31 . . . . . . . 25636 1 51 . 1 1 54 54 GLY N N 15 10.55 0.43 . . . . . . . 25636 1 52 . 1 1 55 55 LYS N N 15 8.15 0.27 . . . . . . . 25636 1 53 . 1 1 56 56 GLN N N 15 7.87 0.19 . . . . . . . 25636 1 54 . 1 1 57 57 ALA N N 15 8.46 0.34 . . . . . . . 25636 1 55 . 1 1 59 59 ASP N N 15 9.67 0.29 . . . . . . . 25636 1 56 . 1 1 60 60 TRP N N 15 8.06 0.21 . . . . . . . 25636 1 57 . 1 1 61 61 LEU N N 15 8.05 0.28 . . . . . . . 25636 1 58 . 1 1 62 62 ALA N N 15 9.46 0.31 . . . . . . . 25636 1 59 . 1 1 63 63 ALA N N 15 7.49 0.19 . . . . . . . 25636 1 60 . 1 1 64 64 GLU N N 15 7.46 0.16 . . . . . . . 25636 1 61 . 1 1 66 66 TYR N N 15 9.90 0.34 . . . . . . . 25636 1 stop_ save_