data_25404 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25404 _Entry.Title ; Solution structure of VPg of porcine sapovirus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-24 _Entry.Accession_date 2014-12-24 _Entry.Last_release_date 2015-04-13 _Entry.Original_release_date 2015-04-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jeong-Sun Kim . . . 25404 2 Hyo-Jeong Hwang . . . 25404 3 'Hye Jung' Min . . . 25404 4 Hyosuk Yun . . . 25404 5 Kyoung-Oh Cho . . . 25404 6 Jeffrey Pelton . G. . 25404 7 David Wemmer . E. . 25404 8 'Chul Won' Lee . . . 25404 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' . 25404 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Porcine sapovirus' . 25404 'Viral protein genome-linked' . 25404 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25404 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 277 25404 '15N chemical shifts' 67 25404 '1H chemical shifts' 443 25404 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 . . 2015-04-13 . original BMRB . 25404 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MXD 'BMRB Entry Tracking System' 25404 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25404 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25753201 _Citation.Full_citation . _Citation.Title ; Solution structure of the porcine sapovirus VPg core reveals a stable three-helical bundle with a conserved surface patch ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 459 _Citation.Journal_issue 4 _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 610 _Citation.Page_last 616 _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.Entry_ID _Citation_author.Citation_ID 1 Hyo-Jeong Hwang . . . 25404 1 2 'Hye Jung' Min . . . 25404 1 3 Hyosuk Yun . . . 25404 1 4 Jeffrey Pelton . . . 25404 1 5 David Wemmer . . . 25404 1 6 Kyoung-Oh Cho . . . 25404 1 7 Jeong-Sun Kim . . . 25404 1 8 'Chul Won' Lee . . . 25404 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25404 _Assembly.ID 1 _Assembly.Name 'VPg of porcine sapovirus' _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 . . . 25404 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25404 _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 ; GAMAIALRDDEYDEWQDIIR DWRKEMTVQQFLDLKERALS GASDPDSQRYNAWLELRAKR LS ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7382.292 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MXD . "Solution Structure Of Vpg Of Porcine Sapovirus" . . . . . 100.00 62 100.00 100.00 6.01e-35 . . . . 25404 1 2 no GB AAF04560 . "polyprotein [Porcine enteric sapovirus]" . . . . . 95.16 2254 100.00 100.00 8.20e-33 . . . . 25404 1 3 no GB AAR37376 . "ORF1 [Porcine enteric sapovirus]" . . . . . 95.16 2254 98.31 100.00 3.95e-32 . . . . 25404 1 4 no GB ACP43737 . "polyprotein [Sapovirus pig/sav1/2008/CHN]" . . . . . 95.16 2254 100.00 100.00 9.85e-33 . . . . 25404 1 5 no GB AFX61394 . "polyprotein [Porcine enteric sapovirus]" . . . . . 95.16 2254 100.00 100.00 1.08e-32 . . . . 25404 1 6 no GB AGW22217 . "polyprotein [Sapovirus pig/Gansu/CH430/2012/CHN]" . . . . . 95.16 2254 100.00 100.00 8.12e-33 . . . . 25404 1 7 no REF NP_051035 . "polyprotein [Porcine enteric sapovirus]" . . . . . 95.16 2254 100.00 100.00 8.20e-33 . . . . 25404 1 8 no SP Q9QEJ5 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Protein p11; Contains: RecName: Full=Protein p28; Contains: RecName: " . . . . . 95.16 2254 100.00 100.00 8.20e-33 . . . . 25404 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 945 GLY . 25404 1 2 946 ALA . 25404 1 3 947 MET . 25404 1 4 948 ALA . 25404 1 5 949 ILE . 25404 1 6 950 ALA . 25404 1 7 951 LEU . 25404 1 8 952 ARG . 25404 1 9 953 ASP . 25404 1 10 954 ASP . 25404 1 11 955 GLU . 25404 1 12 956 TYR . 25404 1 13 957 ASP . 25404 1 14 958 GLU . 25404 1 15 959 TRP . 25404 1 16 960 GLN . 25404 1 17 961 ASP . 25404 1 18 962 ILE . 25404 1 19 963 ILE . 25404 1 20 964 ARG . 25404 1 21 965 ASP . 25404 1 22 966 TRP . 25404 1 23 967 ARG . 25404 1 24 968 LYS . 25404 1 25 969 GLU . 25404 1 26 970 MET . 25404 1 27 971 THR . 25404 1 28 972 VAL . 25404 1 29 973 GLN . 25404 1 30 974 GLN . 25404 1 31 975 PHE . 25404 1 32 976 LEU . 25404 1 33 977 ASP . 25404 1 34 978 LEU . 25404 1 35 979 LYS . 25404 1 36 980 GLU . 25404 1 37 981 ARG . 25404 1 38 982 ALA . 25404 1 39 983 LEU . 25404 1 40 984 SER . 25404 1 41 985 GLY . 25404 1 42 986 ALA . 25404 1 43 987 SER . 25404 1 44 988 ASP . 25404 1 45 989 PRO . 25404 1 46 990 ASP . 25404 1 47 991 SER . 25404 1 48 992 GLN . 25404 1 49 993 ARG . 25404 1 50 994 TYR . 25404 1 51 995 ASN . 25404 1 52 996 ALA . 25404 1 53 997 TRP . 25404 1 54 998 LEU . 25404 1 55 999 GLU . 25404 1 56 1000 LEU . 25404 1 57 1001 ARG . 25404 1 58 1002 ALA . 25404 1 59 1003 LYS . 25404 1 60 1004 ARG . 25404 1 61 1005 LEU . 25404 1 62 1006 SER . 25404 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25404 1 . ALA 2 2 25404 1 . MET 3 3 25404 1 . ALA 4 4 25404 1 . ILE 5 5 25404 1 . ALA 6 6 25404 1 . LEU 7 7 25404 1 . ARG 8 8 25404 1 . ASP 9 9 25404 1 . ASP 10 10 25404 1 . GLU 11 11 25404 1 . TYR 12 12 25404 1 . ASP 13 13 25404 1 . GLU 14 14 25404 1 . TRP 15 15 25404 1 . GLN 16 16 25404 1 . ASP 17 17 25404 1 . ILE 18 18 25404 1 . ILE 19 19 25404 1 . ARG 20 20 25404 1 . ASP 21 21 25404 1 . TRP 22 22 25404 1 . ARG 23 23 25404 1 . LYS 24 24 25404 1 . GLU 25 25 25404 1 . MET 26 26 25404 1 . THR 27 27 25404 1 . VAL 28 28 25404 1 . GLN 29 29 25404 1 . GLN 30 30 25404 1 . PHE 31 31 25404 1 . LEU 32 32 25404 1 . ASP 33 33 25404 1 . LEU 34 34 25404 1 . LYS 35 35 25404 1 . GLU 36 36 25404 1 . ARG 37 37 25404 1 . ALA 38 38 25404 1 . LEU 39 39 25404 1 . SER 40 40 25404 1 . GLY 41 41 25404 1 . ALA 42 42 25404 1 . SER 43 43 25404 1 . ASP 44 44 25404 1 . PRO 45 45 25404 1 . ASP 46 46 25404 1 . SER 47 47 25404 1 . GLN 48 48 25404 1 . ARG 49 49 25404 1 . TYR 50 50 25404 1 . ASN 51 51 25404 1 . ALA 52 52 25404 1 . TRP 53 53 25404 1 . LEU 54 54 25404 1 . GLU 55 55 25404 1 . LEU 56 56 25404 1 . ARG 57 57 25404 1 . ALA 58 58 25404 1 . LYS 59 59 25404 1 . ARG 60 60 25404 1 . LEU 61 61 25404 1 . SER 62 62 25404 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 25404 _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 . 28295 virus . 'porcine epidemic diarrhoea virus' PEDV . . Viruses . Alphacoronavirus 'Porcine epidemic diarrhea virus' . . . . . . . . . . . . . 25404 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 25404 _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 . . . . . . pET21a . . . 25404 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25404 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 25404 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25404 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25404 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25404 1 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 25404 _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' 10 . mM 25404 1 pH 6.2 . pH 25404 1 pressure 1 . atm 25404 1 temperature 310 . K 25404 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25404 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25404 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25404 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 25404 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 25404 _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 DRX . 600 . . . 25404 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 25404 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25404 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25404 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25404 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25404 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25404 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25404 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25404 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25404 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25404 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25404 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 25404 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 25404 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 25404 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 25404 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 25404 _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' . . . 25404 1 2 '3D CBCA(CO)NH' . . . 25404 1 3 '3D HNCO' . . . 25404 1 4 '3D HNCA' . . . 25404 1 5 '3D HNCACB' . . . 25404 1 6 '3D HCCH-TOCSY' . . . 25404 1 7 '3D HCCH-COSY' . . . 25404 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.9170 0.05 . 2 . . . A 945 GLY HA2 . 25404 1 2 . 1 1 1 1 GLY HA3 H 1 3.9170 0.05 . 2 . . . A 945 GLY HA3 . 25404 1 3 . 1 1 1 1 GLY CA C 13 43.7330 0.25 . 1 . . . A 945 GLY CA . 25404 1 4 . 1 1 2 2 ALA H H 1 8.4800 0.05 . 1 . . . A 946 ALA H . 25404 1 5 . 1 1 2 2 ALA HA H 1 4.4000 0.05 . 1 . . . A 946 ALA HA . 25404 1 6 . 1 1 2 2 ALA HB1 H 1 1.4560 0.05 . 1 . . . A 946 ALA HB1 . 25404 1 7 . 1 1 2 2 ALA HB2 H 1 1.4560 0.05 . 1 . . . A 946 ALA HB2 . 25404 1 8 . 1 1 2 2 ALA HB3 H 1 1.4560 0.05 . 1 . . . A 946 ALA HB3 . 25404 1 9 . 1 1 2 2 ALA C C 13 177.7300 0.25 . 1 . . . A 946 ALA C . 25404 1 10 . 1 1 2 2 ALA CA C 13 52.9450 0.25 . 1 . . . A 946 ALA CA . 25404 1 11 . 1 1 2 2 ALA CB C 13 19.7700 0.25 . 1 . . . A 946 ALA CB . 25404 1 12 . 1 1 3 3 MET H H 1 8.4680 0.05 . 1 . . . A 947 MET H . 25404 1 13 . 1 1 3 3 MET HA H 1 4.5200 0.05 . 1 . . . A 947 MET HA . 25404 1 14 . 1 1 3 3 MET HB2 H 1 2.1000 0.05 . 2 . . . A 947 MET HB2 . 25404 1 15 . 1 1 3 3 MET HB3 H 1 2.0400 0.05 . 2 . . . A 947 MET HB3 . 25404 1 16 . 1 1 3 3 MET HG2 H 1 2.6200 0.05 . 2 . . . A 947 MET HG2 . 25404 1 17 . 1 1 3 3 MET HG3 H 1 2.6800 0.05 . 2 . . . A 947 MET HG3 . 25404 1 18 . 1 1 3 3 MET HE1 H 1 2.1900 0.05 . 1 . . . A 947 MET HE1 . 25404 1 19 . 1 1 3 3 MET HE2 H 1 2.1900 0.05 . 1 . . . A 947 MET HE2 . 25404 1 20 . 1 1 3 3 MET HE3 H 1 2.1900 0.05 . 1 . . . A 947 MET HE3 . 25404 1 21 . 1 1 3 3 MET C C 13 175.8780 0.25 . 1 . . . A 947 MET C . 25404 1 22 . 1 1 3 3 MET CA C 13 55.6760 0.25 . 1 . . . A 947 MET CA . 25404 1 23 . 1 1 3 3 MET CB C 13 33.4500 0.25 . 1 . . . A 947 MET CB . 25404 1 24 . 1 1 3 3 MET CG C 13 32.3300 0.25 . 1 . . . A 947 MET CG . 25404 1 25 . 1 1 3 3 MET CE C 13 17.3600 0.25 . 1 . . . A 947 MET CE . 25404 1 26 . 1 1 3 3 MET N N 15 119.6190 0.25 . 1 . . . A 947 MET N . 25404 1 27 . 1 1 4 4 ALA H H 1 8.4320 0.05 . 1 . . . A 948 ALA H . 25404 1 28 . 1 1 4 4 ALA HA H 1 4.1670 0.05 . 1 . . . A 948 ALA HA . 25404 1 29 . 1 1 4 4 ALA HB1 H 1 1.5780 0.05 . 1 . . . A 948 ALA HB1 . 25404 1 30 . 1 1 4 4 ALA HB2 H 1 1.5780 0.05 . 1 . . . A 948 ALA HB2 . 25404 1 31 . 1 1 4 4 ALA HB3 H 1 1.5780 0.05 . 1 . . . A 948 ALA HB3 . 25404 1 32 . 1 1 4 4 ALA C C 13 177.2030 0.25 . 1 . . . A 948 ALA C . 25404 1 33 . 1 1 4 4 ALA CA C 13 52.8100 0.25 . 1 . . . A 948 ALA CA . 25404 1 34 . 1 1 4 4 ALA CB C 13 19.5220 0.25 . 1 . . . A 948 ALA CB . 25404 1 35 . 1 1 4 4 ALA N N 15 125.7370 0.25 . 1 . . . A 948 ALA N . 25404 1 36 . 1 1 5 5 ILE H H 1 8.0490 0.05 . 1 . . . A 949 ILE H . 25404 1 37 . 1 1 5 5 ILE HA H 1 4.2000 0.05 . 1 . . . A 949 ILE HA . 25404 1 38 . 1 1 5 5 ILE HB H 1 1.8560 0.05 . 1 . . . A 949 ILE HB . 25404 1 39 . 1 1 5 5 ILE HG12 H 1 1.2320 0.05 . 2 . . . A 949 ILE HG12 . 25404 1 40 . 1 1 5 5 ILE HG13 H 1 1.5250 0.05 . 2 . . . A 949 ILE HG13 . 25404 1 41 . 1 1 5 5 ILE HG21 H 1 0.9300 0.05 . 1 . . . A 949 ILE HG21 . 25404 1 42 . 1 1 5 5 ILE HG22 H 1 0.9300 0.05 . 1 . . . A 949 ILE HG22 . 25404 1 43 . 1 1 5 5 ILE HG23 H 1 0.9300 0.05 . 1 . . . A 949 ILE HG23 . 25404 1 44 . 1 1 5 5 ILE HD11 H 1 0.9300 0.05 . 1 . . . A 949 ILE HD11 . 25404 1 45 . 1 1 5 5 ILE HD12 H 1 0.9300 0.05 . 1 . . . A 949 ILE HD12 . 25404 1 46 . 1 1 5 5 ILE HD13 H 1 0.9300 0.05 . 1 . . . A 949 ILE HD13 . 25404 1 47 . 1 1 5 5 ILE C C 13 175.2370 0.25 . 1 . . . A 949 ILE C . 25404 1 48 . 1 1 5 5 ILE CA C 13 61.4000 0.25 . 1 . . . A 949 ILE CA . 25404 1 49 . 1 1 5 5 ILE CB C 13 39.4600 0.25 . 1 . . . A 949 ILE CB . 25404 1 50 . 1 1 5 5 ILE CG1 C 13 27.7400 0.25 . 1 . . . A 949 ILE CG1 . 25404 1 51 . 1 1 5 5 ILE CG2 C 13 17.9800 0.25 . 1 . . . A 949 ILE CG2 . 25404 1 52 . 1 1 5 5 ILE CD1 C 13 13.6000 0.25 . 1 . . . A 949 ILE CD1 . 25404 1 53 . 1 1 5 5 ILE N N 15 119.9820 0.25 . 1 . . . A 949 ILE N . 25404 1 54 . 1 1 6 6 ALA H H 1 8.2860 0.05 . 1 . . . A 950 ALA H . 25404 1 55 . 1 1 6 6 ALA HA H 1 4.5100 0.05 . 1 . . . A 950 ALA HA . 25404 1 56 . 1 1 6 6 ALA HB1 H 1 1.4100 0.05 . 1 . . . A 950 ALA HB1 . 25404 1 57 . 1 1 6 6 ALA HB2 H 1 1.4100 0.05 . 1 . . . A 950 ALA HB2 . 25404 1 58 . 1 1 6 6 ALA HB3 H 1 1.4100 0.05 . 1 . . . A 950 ALA HB3 . 25404 1 59 . 1 1 6 6 ALA C C 13 176.6930 0.25 . 1 . . . A 950 ALA C . 25404 1 60 . 1 1 6 6 ALA CA C 13 52.0910 0.25 . 1 . . . A 950 ALA CA . 25404 1 61 . 1 1 6 6 ALA CB C 13 20.0600 0.25 . 1 . . . A 950 ALA CB . 25404 1 62 . 1 1 6 6 ALA N N 15 127.4630 0.25 . 1 . . . A 950 ALA N . 25404 1 63 . 1 1 7 7 LEU H H 1 8.0980 0.05 . 1 . . . A 951 LEU H . 25404 1 64 . 1 1 7 7 LEU HA H 1 4.6000 0.05 . 1 . . . A 951 LEU HA . 25404 1 65 . 1 1 7 7 LEU HB2 H 1 1.7600 0.05 . 2 . . . A 951 LEU HB2 . 25404 1 66 . 1 1 7 7 LEU HB3 H 1 1.7600 0.05 . 2 . . . A 951 LEU HB3 . 25404 1 67 . 1 1 7 7 LEU HG H 1 1.7000 0.05 . 1 . . . A 951 LEU HG . 25404 1 68 . 1 1 7 7 LEU HD11 H 1 0.9300 0.05 . 2 . . . A 951 LEU HD11 . 25404 1 69 . 1 1 7 7 LEU HD12 H 1 0.9300 0.05 . 2 . . . A 951 LEU HD12 . 25404 1 70 . 1 1 7 7 LEU HD13 H 1 0.9300 0.05 . 2 . . . A 951 LEU HD13 . 25404 1 71 . 1 1 7 7 LEU HD21 H 1 0.8100 0.05 . 2 . . . A 951 LEU HD21 . 25404 1 72 . 1 1 7 7 LEU HD22 H 1 0.8100 0.05 . 2 . . . A 951 LEU HD22 . 25404 1 73 . 1 1 7 7 LEU HD23 H 1 0.8100 0.05 . 2 . . . A 951 LEU HD23 . 25404 1 74 . 1 1 7 7 LEU C C 13 177.6800 0.25 . 1 . . . A 951 LEU C . 25404 1 75 . 1 1 7 7 LEU CA C 13 54.6010 0.25 . 1 . . . A 951 LEU CA . 25404 1 76 . 1 1 7 7 LEU CB C 13 44.2000 0.25 . 1 . . . A 951 LEU CB . 25404 1 77 . 1 1 7 7 LEU CG C 13 26.8250 0.25 . 1 . . . A 951 LEU CG . 25404 1 78 . 1 1 7 7 LEU CD1 C 13 24.0100 0.25 . 2 . . . A 951 LEU CD1 . 25404 1 79 . 1 1 7 7 LEU CD2 C 13 26.7800 0.25 . 2 . . . A 951 LEU CD2 . 25404 1 80 . 1 1 7 7 LEU N N 15 120.8990 0.25 . 1 . . . A 951 LEU N . 25404 1 81 . 1 1 8 8 ARG H H 1 9.3120 0.05 . 1 . . . A 952 ARG H . 25404 1 82 . 1 1 8 8 ARG HA H 1 4.5570 0.05 . 1 . . . A 952 ARG HA . 25404 1 83 . 1 1 8 8 ARG HB2 H 1 2.1770 0.05 . 2 . . . A 952 ARG HB2 . 25404 1 84 . 1 1 8 8 ARG HB3 H 1 1.9350 0.05 . 2 . . . A 952 ARG HB3 . 25404 1 85 . 1 1 8 8 ARG HG2 H 1 1.8040 0.05 . 2 . . . A 952 ARG HG2 . 25404 1 86 . 1 1 8 8 ARG HG3 H 1 1.9200 0.05 . 2 . . . A 952 ARG HG3 . 25404 1 87 . 1 1 8 8 ARG HD2 H 1 3.3500 0.05 . 2 . . . A 952 ARG HD2 . 25404 1 88 . 1 1 8 8 ARG HD3 H 1 3.4150 0.05 . 2 . . . A 952 ARG HD3 . 25404 1 89 . 1 1 8 8 ARG C C 13 177.5430 0.25 . 1 . . . A 952 ARG C . 25404 1 90 . 1 1 8 8 ARG CA C 13 56.2760 0.25 . 1 . . . A 952 ARG CA . 25404 1 91 . 1 1 8 8 ARG CB C 13 32.8300 0.25 . 1 . . . A 952 ARG CB . 25404 1 92 . 1 1 8 8 ARG CG C 13 27.9900 0.25 . 1 . . . A 952 ARG CG . 25404 1 93 . 1 1 8 8 ARG CD C 13 43.8000 0.25 . 1 . . . A 952 ARG CD . 25404 1 94 . 1 1 8 8 ARG N N 15 122.7930 0.25 . 1 . . . A 952 ARG N . 25404 1 95 . 1 1 9 9 ASP H H 1 8.9590 0.05 . 1 . . . A 953 ASP H . 25404 1 96 . 1 1 9 9 ASP HA H 1 4.4900 0.05 . 1 . . . A 953 ASP HA . 25404 1 97 . 1 1 9 9 ASP HB2 H 1 2.9660 0.05 . 2 . . . A 953 ASP HB2 . 25404 1 98 . 1 1 9 9 ASP HB3 H 1 2.8300 0.05 . 2 . . . A 953 ASP HB3 . 25404 1 99 . 1 1 9 9 ASP C C 13 177.4720 0.25 . 1 . . . A 953 ASP C . 25404 1 100 . 1 1 9 9 ASP CA C 13 58.0860 0.25 . 1 . . . A 953 ASP CA . 25404 1 101 . 1 1 9 9 ASP CB C 13 40.4800 0.25 . 1 . . . A 953 ASP CB . 25404 1 102 . 1 1 9 9 ASP N N 15 122.1290 0.25 . 1 . . . A 953 ASP N . 25404 1 103 . 1 1 10 10 ASP H H 1 8.7760 0.05 . 1 . . . A 954 ASP H . 25404 1 104 . 1 1 10 10 ASP HA H 1 4.6300 0.05 . 1 . . . A 954 ASP HA . 25404 1 105 . 1 1 10 10 ASP HB2 H 1 2.9150 0.05 . 2 . . . A 954 ASP HB2 . 25404 1 106 . 1 1 10 10 ASP HB3 H 1 2.8500 0.05 . 2 . . . A 954 ASP HB3 . 25404 1 107 . 1 1 10 10 ASP C C 13 178.7070 0.25 . 1 . . . A 954 ASP C . 25404 1 108 . 1 1 10 10 ASP CA C 13 56.9010 0.25 . 1 . . . A 954 ASP CA . 25404 1 109 . 1 1 10 10 ASP CB C 13 40.1000 0.25 . 1 . . . A 954 ASP CB . 25404 1 110 . 1 1 10 10 ASP N N 15 116.5310 0.25 . 1 . . . A 954 ASP N . 25404 1 111 . 1 1 11 11 GLU H H 1 7.6920 0.05 . 1 . . . A 955 GLU H . 25404 1 112 . 1 1 11 11 GLU HA H 1 4.5500 0.05 . 1 . . . A 955 GLU HA . 25404 1 113 . 1 1 11 11 GLU HB2 H 1 2.5790 0.05 . 2 . . . A 955 GLU HB2 . 25404 1 114 . 1 1 11 11 GLU HB3 H 1 2.3000 0.05 . 2 . . . A 955 GLU HB3 . 25404 1 115 . 1 1 11 11 GLU HG2 H 1 2.4030 0.05 . 2 . . . A 955 GLU HG2 . 25404 1 116 . 1 1 11 11 GLU HG3 H 1 2.5800 0.05 . 2 . . . A 955 GLU HG3 . 25404 1 117 . 1 1 11 11 GLU C C 13 177.3020 0.25 . 1 . . . A 955 GLU C . 25404 1 118 . 1 1 11 11 GLU CA C 13 59.3190 0.25 . 1 . . . A 955 GLU CA . 25404 1 119 . 1 1 11 11 GLU CB C 13 31.8400 0.25 . 1 . . . A 955 GLU CB . 25404 1 120 . 1 1 11 11 GLU CG C 13 38.4400 0.25 . 1 . . . A 955 GLU CG . 25404 1 121 . 1 1 11 11 GLU N N 15 121.5140 0.25 . 1 . . . A 955 GLU N . 25404 1 122 . 1 1 12 12 TYR H H 1 8.4250 0.05 . 1 . . . A 956 TYR H . 25404 1 123 . 1 1 12 12 TYR HA H 1 4.2900 0.05 . 1 . . . A 956 TYR HA . 25404 1 124 . 1 1 12 12 TYR HB2 H 1 3.4040 0.05 . 2 . . . A 956 TYR HB2 . 25404 1 125 . 1 1 12 12 TYR HB3 H 1 3.1400 0.05 . 2 . . . A 956 TYR HB3 . 25404 1 126 . 1 1 12 12 TYR HD1 H 1 7.4000 0.05 . 3 . . . A 956 TYR HD1 . 25404 1 127 . 1 1 12 12 TYR HE1 H 1 7.0000 0.05 . 3 . . . A 956 TYR HE1 . 25404 1 128 . 1 1 12 12 TYR C C 13 177.0980 0.25 . 1 . . . A 956 TYR C . 25404 1 129 . 1 1 12 12 TYR CA C 13 62.9500 0.25 . 1 . . . A 956 TYR CA . 25404 1 130 . 1 1 12 12 TYR CB C 13 38.4120 0.25 . 1 . . . A 956 TYR CB . 25404 1 131 . 1 1 12 12 TYR CD1 C 13 129.8400 0.25 . 3 . . . A 956 TYR CD1 . 25404 1 132 . 1 1 12 12 TYR CE1 C 13 118.5800 0.25 . 3 . . . A 956 TYR CE1 . 25404 1 133 . 1 1 12 12 TYR N N 15 120.7800 0.25 . 1 . . . A 956 TYR N . 25404 1 134 . 1 1 13 13 ASP H H 1 8.1690 0.05 . 1 . . . A 957 ASP H . 25404 1 135 . 1 1 13 13 ASP HA H 1 4.3700 0.05 . 1 . . . A 957 ASP HA . 25404 1 136 . 1 1 13 13 ASP HB3 H 1 2.8200 0.05 . 2 . . . A 957 ASP HB3 . 25404 1 137 . 1 1 13 13 ASP C C 13 177.9190 0.25 . 1 . . . A 957 ASP C . 25404 1 138 . 1 1 13 13 ASP CA C 13 57.6540 0.25 . 1 . . . A 957 ASP CA . 25404 1 139 . 1 1 13 13 ASP CB C 13 40.5310 0.25 . 1 . . . A 957 ASP CB . 25404 1 140 . 1 1 13 13 ASP N N 15 118.1020 0.25 . 1 . . . A 957 ASP N . 25404 1 141 . 1 1 14 14 GLU H H 1 7.7820 0.05 . 1 . . . A 958 GLU H . 25404 1 142 . 1 1 14 14 GLU HA H 1 4.0600 0.05 . 1 . . . A 958 GLU HA . 25404 1 143 . 1 1 14 14 GLU HB2 H 1 2.4180 0.05 . 2 . . . A 958 GLU HB2 . 25404 1 144 . 1 1 14 14 GLU HB3 H 1 2.6070 0.05 . 2 . . . A 958 GLU HB3 . 25404 1 145 . 1 1 14 14 GLU HG2 H 1 2.7560 0.05 . 2 . . . A 958 GLU HG2 . 25404 1 146 . 1 1 14 14 GLU HG3 H 1 2.7560 0.05 . 2 . . . A 958 GLU HG3 . 25404 1 147 . 1 1 14 14 GLU CA C 13 61.1100 0.25 . 1 . . . A 958 GLU CA . 25404 1 148 . 1 1 14 14 GLU CB C 13 30.8300 0.25 . 1 . . . A 958 GLU CB . 25404 1 149 . 1 1 14 14 GLU CG C 13 38.4000 0.25 . 1 . . . A 958 GLU CG . 25404 1 150 . 1 1 14 14 GLU N N 15 121.1500 0.25 . 1 . . . A 958 GLU N . 25404 1 151 . 1 1 15 15 TRP H H 1 8.0890 0.05 . 1 . . . A 959 TRP H . 25404 1 152 . 1 1 15 15 TRP HA H 1 3.3690 0.05 . 1 . . . A 959 TRP HA . 25404 1 153 . 1 1 15 15 TRP HB2 H 1 3.2430 0.05 . 2 . . . A 959 TRP HB2 . 25404 1 154 . 1 1 15 15 TRP HB3 H 1 2.1220 0.05 . 2 . . . A 959 TRP HB3 . 25404 1 155 . 1 1 15 15 TRP HD1 H 1 7.0100 0.05 . 1 . . . A 959 TRP HD1 . 25404 1 156 . 1 1 15 15 TRP HE1 H 1 11.7900 0.05 . 1 . . . A 959 TRP HE1 . 25404 1 157 . 1 1 15 15 TRP HE3 H 1 7.2000 0.05 . 1 . . . A 959 TRP HE3 . 25404 1 158 . 1 1 15 15 TRP HZ2 H 1 7.5800 0.05 . 1 . . . A 959 TRP HZ2 . 25404 1 159 . 1 1 15 15 TRP HZ3 H 1 7.1600 0.05 . 1 . . . A 959 TRP HZ3 . 25404 1 160 . 1 1 15 15 TRP HH2 H 1 7.2500 0.05 . 1 . . . A 959 TRP HH2 . 25404 1 161 . 1 1 15 15 TRP C C 13 176.6510 0.25 . 1 . . . A 959 TRP C . 25404 1 162 . 1 1 15 15 TRP CA C 13 58.7910 0.25 . 1 . . . A 959 TRP CA . 25404 1 163 . 1 1 15 15 TRP CB C 13 27.7700 0.25 . 1 . . . A 959 TRP CB . 25404 1 164 . 1 1 15 15 TRP CD1 C 13 129.0900 0.25 . 1 . . . A 959 TRP CD1 . 25404 1 165 . 1 1 15 15 TRP CE3 C 13 119.5700 0.25 . 1 . . . A 959 TRP CE3 . 25404 1 166 . 1 1 15 15 TRP CZ2 C 13 116.3900 0.25 . 1 . . . A 959 TRP CZ2 . 25404 1 167 . 1 1 15 15 TRP CZ3 C 13 120.9900 0.25 . 1 . . . A 959 TRP CZ3 . 25404 1 168 . 1 1 15 15 TRP CH2 C 13 123.0800 0.25 . 1 . . . A 959 TRP CH2 . 25404 1 169 . 1 1 15 15 TRP N N 15 120.4890 0.25 . 1 . . . A 959 TRP N . 25404 1 170 . 1 1 15 15 TRP NE1 N 15 133.2300 0.25 . 1 . . . A 959 TRP NE1 . 25404 1 171 . 1 1 16 16 GLN H H 1 7.9460 0.05 . 1 . . . A 960 GLN H . 25404 1 172 . 1 1 16 16 GLN HA H 1 3.1200 0.05 . 1 . . . A 960 GLN HA . 25404 1 173 . 1 1 16 16 GLN HB2 H 1 1.8760 0.05 . 2 . . . A 960 GLN HB2 . 25404 1 174 . 1 1 16 16 GLN HB3 H 1 1.9500 0.05 . 2 . . . A 960 GLN HB3 . 25404 1 175 . 1 1 16 16 GLN HG2 H 1 1.5800 0.05 . 2 . . . A 960 GLN HG2 . 25404 1 176 . 1 1 16 16 GLN HG3 H 1 2.0170 0.05 . 2 . . . A 960 GLN HG3 . 25404 1 177 . 1 1 16 16 GLN HE21 H 1 6.4000 0.05 . 2 . . . A 960 GLN HE21 . 25404 1 178 . 1 1 16 16 GLN HE22 H 1 4.7600 0.05 . 2 . . . A 960 GLN HE22 . 25404 1 179 . 1 1 16 16 GLN C C 13 179.0890 0.25 . 1 . . . A 960 GLN C . 25404 1 180 . 1 1 16 16 GLN CA C 13 58.3310 0.25 . 1 . . . A 960 GLN CA . 25404 1 181 . 1 1 16 16 GLN CB C 13 28.4700 0.25 . 1 . . . A 960 GLN CB . 25404 1 182 . 1 1 16 16 GLN CG C 13 34.8200 0.25 . 1 . . . A 960 GLN CG . 25404 1 183 . 1 1 16 16 GLN N N 15 113.5090 0.25 . 1 . . . A 960 GLN N . 25404 1 184 . 1 1 16 16 GLN NE2 N 15 113.8300 0.25 . 1 . . . A 960 GLN NE2 . 25404 1 185 . 1 1 17 17 ASP H H 1 8.2530 0.05 . 1 . . . A 961 ASP H . 25404 1 186 . 1 1 17 17 ASP HA H 1 4.5200 0.05 . 1 . . . A 961 ASP HA . 25404 1 187 . 1 1 17 17 ASP HB2 H 1 3.2800 0.05 . 2 . . . A 961 ASP HB2 . 25404 1 188 . 1 1 17 17 ASP HB3 H 1 3.0250 0.05 . 2 . . . A 961 ASP HB3 . 25404 1 189 . 1 1 17 17 ASP C C 13 177.6600 0.25 . 1 . . . A 961 ASP C . 25404 1 190 . 1 1 17 17 ASP CA C 13 57.4590 0.25 . 1 . . . A 961 ASP CA . 25404 1 191 . 1 1 17 17 ASP CB C 13 40.3700 0.25 . 1 . . . A 961 ASP CB . 25404 1 192 . 1 1 17 17 ASP N N 15 120.5340 0.25 . 1 . . . A 961 ASP N . 25404 1 193 . 1 1 18 18 ILE H H 1 8.6000 0.05 . 1 . . . A 962 ILE H . 25404 1 194 . 1 1 18 18 ILE HA H 1 3.0700 0.05 . 1 . . . A 962 ILE HA . 25404 1 195 . 1 1 18 18 ILE HB H 1 1.1310 0.05 . 1 . . . A 962 ILE HB . 25404 1 196 . 1 1 18 18 ILE HG12 H 1 -0.8540 0.05 . 2 . . . A 962 ILE HG12 . 25404 1 197 . 1 1 18 18 ILE HG13 H 1 -0.9600 0.05 . 2 . . . A 962 ILE HG13 . 25404 1 198 . 1 1 18 18 ILE HG21 H 1 0.5600 0.05 . 1 . . . A 962 ILE HG21 . 25404 1 199 . 1 1 18 18 ILE HG22 H 1 0.5600 0.05 . 1 . . . A 962 ILE HG22 . 25404 1 200 . 1 1 18 18 ILE HG23 H 1 0.5600 0.05 . 1 . . . A 962 ILE HG23 . 25404 1 201 . 1 1 18 18 ILE HD11 H 1 -0.3720 0.05 . 1 . . . A 962 ILE HD11 . 25404 1 202 . 1 1 18 18 ILE HD12 H 1 -0.3720 0.05 . 1 . . . A 962 ILE HD12 . 25404 1 203 . 1 1 18 18 ILE HD13 H 1 -0.3720 0.05 . 1 . . . A 962 ILE HD13 . 25404 1 204 . 1 1 18 18 ILE C C 13 177.3010 0.25 . 1 . . . A 962 ILE C . 25404 1 205 . 1 1 18 18 ILE CA C 13 66.1000 0.25 . 1 . . . A 962 ILE CA . 25404 1 206 . 1 1 18 18 ILE CB C 13 36.7700 0.25 . 1 . . . A 962 ILE CB . 25404 1 207 . 1 1 18 18 ILE CG1 C 13 29.0800 0.25 . 1 . . . A 962 ILE CG1 . 25404 1 208 . 1 1 18 18 ILE CG2 C 13 16.4800 0.25 . 1 . . . A 962 ILE CG2 . 25404 1 209 . 1 1 18 18 ILE CD1 C 13 13.8900 0.25 . 1 . . . A 962 ILE CD1 . 25404 1 210 . 1 1 18 18 ILE N N 15 124.2800 0.25 . 1 . . . A 962 ILE N . 25404 1 211 . 1 1 19 19 ILE H H 1 7.3770 0.05 . 1 . . . A 963 ILE H . 25404 1 212 . 1 1 19 19 ILE HA H 1 3.8600 0.05 . 1 . . . A 963 ILE HA . 25404 1 213 . 1 1 19 19 ILE HB H 1 1.5800 0.05 . 1 . . . A 963 ILE HB . 25404 1 214 . 1 1 19 19 ILE HG12 H 1 1.3610 0.05 . 2 . . . A 963 ILE HG12 . 25404 1 215 . 1 1 19 19 ILE HG13 H 1 1.1090 0.05 . 2 . . . A 963 ILE HG13 . 25404 1 216 . 1 1 19 19 ILE HG21 H 1 0.7500 0.05 . 1 . . . A 963 ILE HG21 . 25404 1 217 . 1 1 19 19 ILE HG22 H 1 0.7500 0.05 . 1 . . . A 963 ILE HG22 . 25404 1 218 . 1 1 19 19 ILE HG23 H 1 0.7500 0.05 . 1 . . . A 963 ILE HG23 . 25404 1 219 . 1 1 19 19 ILE HD11 H 1 0.1200 0.05 . 1 . . . A 963 ILE HD11 . 25404 1 220 . 1 1 19 19 ILE HD12 H 1 0.1200 0.05 . 1 . . . A 963 ILE HD12 . 25404 1 221 . 1 1 19 19 ILE HD13 H 1 0.1200 0.05 . 1 . . . A 963 ILE HD13 . 25404 1 222 . 1 1 19 19 ILE C C 13 179.7510 0.25 . 1 . . . A 963 ILE C . 25404 1 223 . 1 1 19 19 ILE CA C 13 65.1090 0.25 . 1 . . . A 963 ILE CA . 25404 1 224 . 1 1 19 19 ILE CB C 13 38.4900 0.25 . 1 . . . A 963 ILE CB . 25404 1 225 . 1 1 19 19 ILE CG1 C 13 27.9400 0.25 . 1 . . . A 963 ILE CG1 . 25404 1 226 . 1 1 19 19 ILE CG2 C 13 17.4000 0.25 . 1 . . . A 963 ILE CG2 . 25404 1 227 . 1 1 19 19 ILE CD1 C 13 13.0800 0.25 . 1 . . . A 963 ILE CD1 . 25404 1 228 . 1 1 19 19 ILE N N 15 121.3680 0.25 . 1 . . . A 963 ILE N . 25404 1 229 . 1 1 20 20 ARG H H 1 7.2090 0.05 . 1 . . . A 964 ARG H . 25404 1 230 . 1 1 20 20 ARG HA H 1 4.0700 0.05 . 1 . . . A 964 ARG HA . 25404 1 231 . 1 1 20 20 ARG HB2 H 1 1.9790 0.05 . 2 . . . A 964 ARG HB2 . 25404 1 232 . 1 1 20 20 ARG HB3 H 1 2.1090 0.05 . 2 . . . A 964 ARG HB3 . 25404 1 233 . 1 1 20 20 ARG HG2 H 1 1.5800 0.05 . 2 . . . A 964 ARG HG2 . 25404 1 234 . 1 1 20 20 ARG HG3 H 1 1.8600 0.05 . 2 . . . A 964 ARG HG3 . 25404 1 235 . 1 1 20 20 ARG HD2 H 1 3.3400 0.05 . 2 . . . A 964 ARG HD2 . 25404 1 236 . 1 1 20 20 ARG HD3 H 1 3.3400 0.05 . 2 . . . A 964 ARG HD3 . 25404 1 237 . 1 1 20 20 ARG HH12 H 1 7.4900 0.05 . 9 . . . A 964 ARG HH12 . 25404 1 238 . 1 1 20 20 ARG C C 13 179.0650 0.25 . 1 . . . A 964 ARG C . 25404 1 239 . 1 1 20 20 ARG CA C 13 59.1540 0.25 . 1 . . . A 964 ARG CA . 25404 1 240 . 1 1 20 20 ARG CB C 13 30.8000 0.25 . 1 . . . A 964 ARG CB . 25404 1 241 . 1 1 20 20 ARG CG C 13 27.8000 0.25 . 1 . . . A 964 ARG CG . 25404 1 242 . 1 1 20 20 ARG CD C 13 43.2000 0.25 . 1 . . . A 964 ARG CD . 25404 1 243 . 1 1 20 20 ARG N N 15 119.6270 0.25 . 1 . . . A 964 ARG N . 25404 1 244 . 1 1 21 21 ASP H H 1 9.0980 0.05 . 1 . . . A 965 ASP H . 25404 1 245 . 1 1 21 21 ASP HA H 1 4.6200 0.05 . 1 . . . A 965 ASP HA . 25404 1 246 . 1 1 21 21 ASP HB2 H 1 3.1400 0.05 . 2 . . . A 965 ASP HB2 . 25404 1 247 . 1 1 21 21 ASP HB3 H 1 3.0700 0.05 . 2 . . . A 965 ASP HB3 . 25404 1 248 . 1 1 21 21 ASP C C 13 178.7870 0.25 . 1 . . . A 965 ASP C . 25404 1 249 . 1 1 21 21 ASP CA C 13 57.4170 0.25 . 1 . . . A 965 ASP CA . 25404 1 250 . 1 1 21 21 ASP CB C 13 40.6150 0.25 . 1 . . . A 965 ASP CB . 25404 1 251 . 1 1 21 21 ASP N N 15 119.8470 0.25 . 1 . . . A 965 ASP N . 25404 1 252 . 1 1 22 22 TRP H H 1 9.2530 0.05 . 1 . . . A 966 TRP H . 25404 1 253 . 1 1 22 22 TRP HA H 1 4.7400 0.05 . 1 . . . A 966 TRP HA . 25404 1 254 . 1 1 22 22 TRP HB2 H 1 3.1760 0.05 . 2 . . . A 966 TRP HB2 . 25404 1 255 . 1 1 22 22 TRP HB3 H 1 3.2450 0.05 . 2 . . . A 966 TRP HB3 . 25404 1 256 . 1 1 22 22 TRP HD1 H 1 6.4200 0.05 . 1 . . . A 966 TRP HD1 . 25404 1 257 . 1 1 22 22 TRP HE1 H 1 9.2600 0.05 . 1 . . . A 966 TRP HE1 . 25404 1 258 . 1 1 22 22 TRP HE3 H 1 7.2000 0.05 . 1 . . . A 966 TRP HE3 . 25404 1 259 . 1 1 22 22 TRP HZ2 H 1 7.5800 0.05 . 1 . . . A 966 TRP HZ2 . 25404 1 260 . 1 1 22 22 TRP HZ3 H 1 7.1600 0.05 . 1 . . . A 966 TRP HZ3 . 25404 1 261 . 1 1 22 22 TRP HH2 H 1 7.2600 0.05 . 1 . . . A 966 TRP HH2 . 25404 1 262 . 1 1 22 22 TRP C C 13 176.0940 0.25 . 1 . . . A 966 TRP C . 25404 1 263 . 1 1 22 22 TRP CA C 13 56.8430 0.25 . 1 . . . A 966 TRP CA . 25404 1 264 . 1 1 22 22 TRP CB C 13 28.6000 0.25 . 1 . . . A 966 TRP CB . 25404 1 265 . 1 1 22 22 TRP CD1 C 13 123.6000 0.25 . 1 . . . A 966 TRP CD1 . 25404 1 266 . 1 1 22 22 TRP CE3 C 13 119.5000 0.25 . 1 . . . A 966 TRP CE3 . 25404 1 267 . 1 1 22 22 TRP CZ2 C 13 116.4000 0.25 . 1 . . . A 966 TRP CZ2 . 25404 1 268 . 1 1 22 22 TRP CZ3 C 13 120.9000 0.25 . 1 . . . A 966 TRP CZ3 . 25404 1 269 . 1 1 22 22 TRP CH2 C 13 123.0800 0.25 . 1 . . . A 966 TRP CH2 . 25404 1 270 . 1 1 22 22 TRP N N 15 118.6780 0.25 . 1 . . . A 966 TRP N . 25404 1 271 . 1 1 22 22 TRP NE1 N 15 128.5300 0.25 . 1 . . . A 966 TRP NE1 . 25404 1 272 . 1 1 23 23 ARG H H 1 7.7620 0.05 . 1 . . . A 967 ARG H . 25404 1 273 . 1 1 23 23 ARG HA H 1 4.0300 0.05 . 1 . . . A 967 ARG HA . 25404 1 274 . 1 1 23 23 ARG HB3 H 1 2.0900 0.05 . 2 . . . A 967 ARG HB3 . 25404 1 275 . 1 1 23 23 ARG HG2 H 1 1.7200 0.05 . 2 . . . A 967 ARG HG2 . 25404 1 276 . 1 1 23 23 ARG HG3 H 1 1.7200 0.05 . 2 . . . A 967 ARG HG3 . 25404 1 277 . 1 1 23 23 ARG HD2 H 1 3.1250 0.05 . 2 . . . A 967 ARG HD2 . 25404 1 278 . 1 1 23 23 ARG HD3 H 1 3.3100 0.05 . 2 . . . A 967 ARG HD3 . 25404 1 279 . 1 1 23 23 ARG HH12 H 1 7.4900 0.05 . 9 . . . A 967 ARG HH12 . 25404 1 280 . 1 1 23 23 ARG C C 13 174.9650 0.25 . 1 . . . A 967 ARG C . 25404 1 281 . 1 1 23 23 ARG CA C 13 57.0060 0.25 . 1 . . . A 967 ARG CA . 25404 1 282 . 1 1 23 23 ARG CB C 13 26.9660 0.25 . 1 . . . A 967 ARG CB . 25404 1 283 . 1 1 23 23 ARG CG C 13 27.7500 0.25 . 1 . . . A 967 ARG CG . 25404 1 284 . 1 1 23 23 ARG CD C 13 43.9800 0.25 . 1 . . . A 967 ARG CD . 25404 1 285 . 1 1 23 23 ARG N N 15 116.9980 0.25 . 1 . . . A 967 ARG N . 25404 1 286 . 1 1 24 24 LYS H H 1 7.4620 0.05 . 1 . . . A 968 LYS H . 25404 1 287 . 1 1 24 24 LYS HA H 1 4.6400 0.05 . 1 . . . A 968 LYS HA . 25404 1 288 . 1 1 24 24 LYS HB3 H 1 1.7500 0.05 . 2 . . . A 968 LYS HB3 . 25404 1 289 . 1 1 24 24 LYS HG2 H 1 1.4860 0.05 . 2 . . . A 968 LYS HG2 . 25404 1 290 . 1 1 24 24 LYS HG3 H 1 1.5100 0.05 . 2 . . . A 968 LYS HG3 . 25404 1 291 . 1 1 24 24 LYS HD2 H 1 1.8680 0.05 . 2 . . . A 968 LYS HD2 . 25404 1 292 . 1 1 24 24 LYS HD3 H 1 1.8680 0.05 . 2 . . . A 968 LYS HD3 . 25404 1 293 . 1 1 24 24 LYS HE2 H 1 3.1440 0.05 . 2 . . . A 968 LYS HE2 . 25404 1 294 . 1 1 24 24 LYS HE3 H 1 3.1440 0.05 . 2 . . . A 968 LYS HE3 . 25404 1 295 . 1 1 24 24 LYS C C 13 174.2580 0.25 . 1 . . . A 968 LYS C . 25404 1 296 . 1 1 24 24 LYS CA C 13 55.2390 0.25 . 1 . . . A 968 LYS CA . 25404 1 297 . 1 1 24 24 LYS CB C 13 36.1140 0.25 . 1 . . . A 968 LYS CB . 25404 1 298 . 1 1 24 24 LYS CG C 13 24.8400 0.25 . 1 . . . A 968 LYS CG . 25404 1 299 . 1 1 24 24 LYS CD C 13 30.1000 0.25 . 1 . . . A 968 LYS CD . 25404 1 300 . 1 1 24 24 LYS CE C 13 41.9790 0.25 . 1 . . . A 968 LYS CE . 25404 1 301 . 1 1 24 24 LYS N N 15 117.7080 0.25 . 1 . . . A 968 LYS N . 25404 1 302 . 1 1 25 25 GLU H H 1 8.5590 0.05 . 1 . . . A 969 GLU H . 25404 1 303 . 1 1 25 25 GLU HA H 1 4.1670 0.05 . 1 . . . A 969 GLU HA . 25404 1 304 . 1 1 25 25 GLU HB2 H 1 2.1000 0.05 . 2 . . . A 969 GLU HB2 . 25404 1 305 . 1 1 25 25 GLU HB3 H 1 1.9800 0.05 . 2 . . . A 969 GLU HB3 . 25404 1 306 . 1 1 25 25 GLU HG2 H 1 2.3100 0.05 . 2 . . . A 969 GLU HG2 . 25404 1 307 . 1 1 25 25 GLU HG3 H 1 2.3100 0.05 . 2 . . . A 969 GLU HG3 . 25404 1 308 . 1 1 25 25 GLU C C 13 175.9620 0.25 . 1 . . . A 969 GLU C . 25404 1 309 . 1 1 25 25 GLU CA C 13 57.1460 0.25 . 1 . . . A 969 GLU CA . 25404 1 310 . 1 1 25 25 GLU CB C 13 29.5000 0.25 . 1 . . . A 969 GLU CB . 25404 1 311 . 1 1 25 25 GLU CG C 13 36.3000 0.25 . 1 . . . A 969 GLU CG . 25404 1 312 . 1 1 25 25 GLU N N 15 123.3520 0.25 . 1 . . . A 969 GLU N . 25404 1 313 . 1 1 26 26 MET H H 1 7.3140 0.05 . 1 . . . A 970 MET H . 25404 1 314 . 1 1 26 26 MET HA H 1 4.9200 0.05 . 1 . . . A 970 MET HA . 25404 1 315 . 1 1 26 26 MET HB2 H 1 2.0950 0.05 . 2 . . . A 970 MET HB2 . 25404 1 316 . 1 1 26 26 MET HB3 H 1 2.1500 0.05 . 2 . . . A 970 MET HB3 . 25404 1 317 . 1 1 26 26 MET HG2 H 1 2.6200 0.05 . 2 . . . A 970 MET HG2 . 25404 1 318 . 1 1 26 26 MET HG3 H 1 2.7100 0.05 . 2 . . . A 970 MET HG3 . 25404 1 319 . 1 1 26 26 MET HE1 H 1 1.9270 0.05 . 1 . . . A 970 MET HE1 . 25404 1 320 . 1 1 26 26 MET HE2 H 1 1.9270 0.05 . 1 . . . A 970 MET HE2 . 25404 1 321 . 1 1 26 26 MET HE3 H 1 1.9270 0.05 . 1 . . . A 970 MET HE3 . 25404 1 322 . 1 1 26 26 MET C C 13 176.8840 0.25 . 1 . . . A 970 MET C . 25404 1 323 . 1 1 26 26 MET CA C 13 55.5460 0.25 . 1 . . . A 970 MET CA . 25404 1 324 . 1 1 26 26 MET CB C 13 36.7720 0.25 . 1 . . . A 970 MET CB . 25404 1 325 . 1 1 26 26 MET CG C 13 32.0800 0.25 . 1 . . . A 970 MET CG . 25404 1 326 . 1 1 26 26 MET CE C 13 17.5700 0.25 . 1 . . . A 970 MET CE . 25404 1 327 . 1 1 26 26 MET N N 15 121.2470 0.25 . 1 . . . A 970 MET N . 25404 1 328 . 1 1 27 27 THR H H 1 9.1290 0.05 . 1 . . . A 971 THR H . 25404 1 329 . 1 1 27 27 THR HA H 1 4.7400 0.05 . 1 . . . A 971 THR HA . 25404 1 330 . 1 1 27 27 THR HB H 1 4.8900 0.05 . 1 . . . A 971 THR HB . 25404 1 331 . 1 1 27 27 THR HG21 H 1 1.4700 0.05 . 1 . . . A 971 THR HG21 . 25404 1 332 . 1 1 27 27 THR HG22 H 1 1.4700 0.05 . 1 . . . A 971 THR HG22 . 25404 1 333 . 1 1 27 27 THR HG23 H 1 1.4700 0.05 . 1 . . . A 971 THR HG23 . 25404 1 334 . 1 1 27 27 THR C C 13 175.1120 0.25 . 1 . . . A 971 THR C . 25404 1 335 . 1 1 27 27 THR CA C 13 61.5820 0.25 . 1 . . . A 971 THR CA . 25404 1 336 . 1 1 27 27 THR CB C 13 71.2030 0.25 . 1 . . . A 971 THR CB . 25404 1 337 . 1 1 27 27 THR CG2 C 13 22.2900 0.25 . 1 . . . A 971 THR CG2 . 25404 1 338 . 1 1 27 27 THR N N 15 118.2840 0.25 . 1 . . . A 971 THR N . 25404 1 339 . 1 1 28 28 VAL H H 1 8.7450 0.05 . 1 . . . A 972 VAL H . 25404 1 340 . 1 1 28 28 VAL HA H 1 2.7300 0.05 . 1 . . . A 972 VAL HA . 25404 1 341 . 1 1 28 28 VAL HB H 1 1.4400 0.05 . 1 . . . A 972 VAL HB . 25404 1 342 . 1 1 28 28 VAL HG11 H 1 0.6400 0.05 . 2 . . . A 972 VAL HG11 . 25404 1 343 . 1 1 28 28 VAL HG12 H 1 0.6400 0.05 . 2 . . . A 972 VAL HG12 . 25404 1 344 . 1 1 28 28 VAL HG13 H 1 0.6400 0.05 . 2 . . . A 972 VAL HG13 . 25404 1 345 . 1 1 28 28 VAL HG21 H 1 0.2200 0.05 . 2 . . . A 972 VAL HG21 . 25404 1 346 . 1 1 28 28 VAL HG22 H 1 0.2200 0.05 . 2 . . . A 972 VAL HG22 . 25404 1 347 . 1 1 28 28 VAL HG23 H 1 0.2200 0.05 . 2 . . . A 972 VAL HG23 . 25404 1 348 . 1 1 28 28 VAL C C 13 177.0140 0.25 . 1 . . . A 972 VAL C . 25404 1 349 . 1 1 28 28 VAL CA C 13 67.1100 0.25 . 1 . . . A 972 VAL CA . 25404 1 350 . 1 1 28 28 VAL CB C 13 31.3000 0.25 . 1 . . . A 972 VAL CB . 25404 1 351 . 1 1 28 28 VAL CG1 C 13 21.3750 0.25 . 2 . . . A 972 VAL CG1 . 25404 1 352 . 1 1 28 28 VAL CG2 C 13 22.6000 0.25 . 2 . . . A 972 VAL CG2 . 25404 1 353 . 1 1 28 28 VAL N N 15 121.2400 0.25 . 1 . . . A 972 VAL N . 25404 1 354 . 1 1 29 29 GLN H H 1 8.1790 0.05 . 1 . . . A 973 GLN H . 25404 1 355 . 1 1 29 29 GLN HA H 1 3.8300 0.05 . 1 . . . A 973 GLN HA . 25404 1 356 . 1 1 29 29 GLN HB2 H 1 2.1600 0.05 . 2 . . . A 973 GLN HB2 . 25404 1 357 . 1 1 29 29 GLN HB3 H 1 1.9760 0.05 . 2 . . . A 973 GLN HB3 . 25404 1 358 . 1 1 29 29 GLN HG2 H 1 2.4780 0.05 . 2 . . . A 973 GLN HG2 . 25404 1 359 . 1 1 29 29 GLN HG3 H 1 2.4090 0.05 . 2 . . . A 973 GLN HG3 . 25404 1 360 . 1 1 29 29 GLN HE21 H 1 6.9100 0.05 . 2 . . . A 973 GLN HE21 . 25404 1 361 . 1 1 29 29 GLN HE22 H 1 7.7600 0.05 . 2 . . . A 973 GLN HE22 . 25404 1 362 . 1 1 29 29 GLN C C 13 178.2060 0.25 . 1 . . . A 973 GLN C . 25404 1 363 . 1 1 29 29 GLN CA C 13 59.4800 0.25 . 1 . . . A 973 GLN CA . 25404 1 364 . 1 1 29 29 GLN CB C 13 28.9200 0.25 . 1 . . . A 973 GLN CB . 25404 1 365 . 1 1 29 29 GLN CG C 13 34.3800 0.25 . 1 . . . A 973 GLN CG . 25404 1 366 . 1 1 29 29 GLN N N 15 117.6720 0.25 . 1 . . . A 973 GLN N . 25404 1 367 . 1 1 29 29 GLN NE2 N 15 114.8300 0.25 . 1 . . . A 973 GLN NE2 . 25404 1 368 . 1 1 30 30 GLN H H 1 7.7970 0.05 . 1 . . . A 974 GLN H . 25404 1 369 . 1 1 30 30 GLN HA H 1 4.0900 0.05 . 1 . . . A 974 GLN HA . 25404 1 370 . 1 1 30 30 GLN HB2 H 1 2.4610 0.05 . 2 . . . A 974 GLN HB2 . 25404 1 371 . 1 1 30 30 GLN HB3 H 1 2.0380 0.05 . 2 . . . A 974 GLN HB3 . 25404 1 372 . 1 1 30 30 GLN HG2 H 1 2.5900 0.05 . 2 . . . A 974 GLN HG2 . 25404 1 373 . 1 1 30 30 GLN HG3 H 1 2.5900 0.05 . 2 . . . A 974 GLN HG3 . 25404 1 374 . 1 1 30 30 GLN HE21 H 1 6.9600 0.05 . 2 . . . A 974 GLN HE21 . 25404 1 375 . 1 1 30 30 GLN HE22 H 1 7.6500 0.05 . 2 . . . A 974 GLN HE22 . 25404 1 376 . 1 1 30 30 GLN C C 13 179.4570 0.25 . 1 . . . A 974 GLN C . 25404 1 377 . 1 1 30 30 GLN CA C 13 59.1230 0.25 . 1 . . . A 974 GLN CA . 25404 1 378 . 1 1 30 30 GLN CB C 13 29.1500 0.25 . 1 . . . A 974 GLN CB . 25404 1 379 . 1 1 30 30 GLN CG C 13 35.1000 0.25 . 1 . . . A 974 GLN CG . 25404 1 380 . 1 1 30 30 GLN N N 15 118.0230 0.25 . 1 . . . A 974 GLN N . 25404 1 381 . 1 1 30 30 GLN NE2 N 15 111.2100 0.25 . 1 . . . A 974 GLN NE2 . 25404 1 382 . 1 1 31 31 PHE H H 1 8.2900 0.05 . 1 . . . A 975 PHE H . 25404 1 383 . 1 1 31 31 PHE HA H 1 4.3500 0.05 . 1 . . . A 975 PHE HA . 25404 1 384 . 1 1 31 31 PHE HB2 H 1 3.1940 0.05 . 2 . . . A 975 PHE HB2 . 25404 1 385 . 1 1 31 31 PHE HB3 H 1 3.0500 0.05 . 2 . . . A 975 PHE HB3 . 25404 1 386 . 1 1 31 31 PHE HD1 H 1 7.0200 0.05 . 3 . . . A 975 PHE HD1 . 25404 1 387 . 1 1 31 31 PHE HD2 H 1 7.0200 0.05 . 3 . . . A 975 PHE HD2 . 25404 1 388 . 1 1 31 31 PHE HE1 H 1 7.0200 0.05 . 3 . . . A 975 PHE HE1 . 25404 1 389 . 1 1 31 31 PHE HE2 H 1 7.0200 0.05 . 3 . . . A 975 PHE HE2 . 25404 1 390 . 1 1 31 31 PHE C C 13 175.3130 0.25 . 1 . . . A 975 PHE C . 25404 1 391 . 1 1 31 31 PHE CA C 13 60.9730 0.25 . 1 . . . A 975 PHE CA . 25404 1 392 . 1 1 31 31 PHE CB C 13 39.7150 0.25 . 1 . . . A 975 PHE CB . 25404 1 393 . 1 1 31 31 PHE CD1 C 13 128.5000 0.25 . 3 . . . A 975 PHE CD1 . 25404 1 394 . 1 1 31 31 PHE CD2 C 13 128.5000 0.25 . 3 . . . A 975 PHE CD2 . 25404 1 395 . 1 1 31 31 PHE CE1 C 13 128.5000 0.25 . 3 . . . A 975 PHE CE1 . 25404 1 396 . 1 1 31 31 PHE CE2 C 13 128.5000 0.25 . 3 . . . A 975 PHE CE2 . 25404 1 397 . 1 1 31 31 PHE N N 15 121.8010 0.25 . 1 . . . A 975 PHE N . 25404 1 398 . 1 1 32 32 LEU H H 1 8.5380 0.05 . 1 . . . A 976 LEU H . 25404 1 399 . 1 1 32 32 LEU HA H 1 3.5240 0.05 . 1 . . . A 976 LEU HA . 25404 1 400 . 1 1 32 32 LEU HB2 H 1 1.8050 0.05 . 2 . . . A 976 LEU HB2 . 25404 1 401 . 1 1 32 32 LEU HB3 H 1 1.3710 0.05 . 2 . . . A 976 LEU HB3 . 25404 1 402 . 1 1 32 32 LEU HG H 1 1.8150 0.05 . 1 . . . A 976 LEU HG . 25404 1 403 . 1 1 32 32 LEU HD11 H 1 0.7900 0.05 . 2 . . . A 976 LEU HD11 . 25404 1 404 . 1 1 32 32 LEU HD12 H 1 0.7900 0.05 . 2 . . . A 976 LEU HD12 . 25404 1 405 . 1 1 32 32 LEU HD13 H 1 0.7900 0.05 . 2 . . . A 976 LEU HD13 . 25404 1 406 . 1 1 32 32 LEU HD21 H 1 0.7850 0.05 . 2 . . . A 976 LEU HD21 . 25404 1 407 . 1 1 32 32 LEU HD22 H 1 0.7850 0.05 . 2 . . . A 976 LEU HD22 . 25404 1 408 . 1 1 32 32 LEU HD23 H 1 0.7850 0.05 . 2 . . . A 976 LEU HD23 . 25404 1 409 . 1 1 32 32 LEU C C 13 180.0910 0.25 . 1 . . . A 976 LEU C . 25404 1 410 . 1 1 32 32 LEU CA C 13 58.0140 0.25 . 1 . . . A 976 LEU CA . 25404 1 411 . 1 1 32 32 LEU CB C 13 41.4270 0.25 . 1 . . . A 976 LEU CB . 25404 1 412 . 1 1 32 32 LEU CG C 13 26.3000 0.25 . 1 . . . A 976 LEU CG . 25404 1 413 . 1 1 32 32 LEU CD1 C 13 22.4000 0.25 . 2 . . . A 976 LEU CD1 . 25404 1 414 . 1 1 32 32 LEU CD2 C 13 26.5000 0.25 . 2 . . . A 976 LEU CD2 . 25404 1 415 . 1 1 32 32 LEU N N 15 119.7030 0.25 . 1 . . . A 976 LEU N . 25404 1 416 . 1 1 33 33 ASP H H 1 8.2740 0.05 . 1 . . . A 977 ASP H . 25404 1 417 . 1 1 33 33 ASP HA H 1 4.3100 0.05 . 1 . . . A 977 ASP HA . 25404 1 418 . 1 1 33 33 ASP HB2 H 1 2.7620 0.05 . 2 . . . A 977 ASP HB2 . 25404 1 419 . 1 1 33 33 ASP HB3 H 1 2.6800 0.05 . 2 . . . A 977 ASP HB3 . 25404 1 420 . 1 1 33 33 ASP C C 13 178.0350 0.25 . 1 . . . A 977 ASP C . 25404 1 421 . 1 1 33 33 ASP CA C 13 57.4440 0.25 . 1 . . . A 977 ASP CA . 25404 1 422 . 1 1 33 33 ASP CB C 13 41.1020 0.25 . 1 . . . A 977 ASP CB . 25404 1 423 . 1 1 33 33 ASP N N 15 119.3920 0.25 . 1 . . . A 977 ASP N . 25404 1 424 . 1 1 34 34 LEU H H 1 7.6480 0.05 . 1 . . . A 978 LEU H . 25404 1 425 . 1 1 34 34 LEU HA H 1 3.9500 0.05 . 1 . . . A 978 LEU HA . 25404 1 426 . 1 1 34 34 LEU HB2 H 1 2.0120 0.05 . 2 . . . A 978 LEU HB2 . 25404 1 427 . 1 1 34 34 LEU HB3 H 1 1.5310 0.05 . 2 . . . A 978 LEU HB3 . 25404 1 428 . 1 1 34 34 LEU HG H 1 1.0620 0.05 . 1 . . . A 978 LEU HG . 25404 1 429 . 1 1 34 34 LEU HD11 H 1 0.9800 0.05 . 2 . . . A 978 LEU HD11 . 25404 1 430 . 1 1 34 34 LEU HD12 H 1 0.9800 0.05 . 2 . . . A 978 LEU HD12 . 25404 1 431 . 1 1 34 34 LEU HD13 H 1 0.9800 0.05 . 2 . . . A 978 LEU HD13 . 25404 1 432 . 1 1 34 34 LEU HD21 H 1 0.8380 0.05 . 2 . . . A 978 LEU HD21 . 25404 1 433 . 1 1 34 34 LEU HD22 H 1 0.8380 0.05 . 2 . . . A 978 LEU HD22 . 25404 1 434 . 1 1 34 34 LEU HD23 H 1 0.8380 0.05 . 2 . . . A 978 LEU HD23 . 25404 1 435 . 1 1 34 34 LEU C C 13 176.9750 0.25 . 1 . . . A 978 LEU C . 25404 1 436 . 1 1 34 34 LEU CA C 13 58.3900 0.25 . 1 . . . A 978 LEU CA . 25404 1 437 . 1 1 34 34 LEU CB C 13 42.1000 0.25 . 1 . . . A 978 LEU CB . 25404 1 438 . 1 1 34 34 LEU CG C 13 27.3400 0.25 . 1 . . . A 978 LEU CG . 25404 1 439 . 1 1 34 34 LEU CD1 C 13 23.7500 0.25 . 2 . . . A 978 LEU CD1 . 25404 1 440 . 1 1 34 34 LEU CD2 C 13 26.9300 0.25 . 2 . . . A 978 LEU CD2 . 25404 1 441 . 1 1 34 34 LEU N N 15 122.5750 0.25 . 1 . . . A 978 LEU N . 25404 1 442 . 1 1 35 35 LYS H H 1 7.9580 0.05 . 1 . . . A 979 LYS H . 25404 1 443 . 1 1 35 35 LYS HA H 1 3.1800 0.05 . 1 . . . A 979 LYS HA . 25404 1 444 . 1 1 35 35 LYS HB2 H 1 1.3440 0.05 . 2 . . . A 979 LYS HB2 . 25404 1 445 . 1 1 35 35 LYS HB3 H 1 1.1750 0.05 . 2 . . . A 979 LYS HB3 . 25404 1 446 . 1 1 35 35 LYS HG2 H 1 1.2920 0.05 . 2 . . . A 979 LYS HG2 . 25404 1 447 . 1 1 35 35 LYS HG3 H 1 1.0880 0.05 . 2 . . . A 979 LYS HG3 . 25404 1 448 . 1 1 35 35 LYS HD2 H 1 1.5850 0.05 . 2 . . . A 979 LYS HD2 . 25404 1 449 . 1 1 35 35 LYS HD3 H 1 1.4400 0.05 . 2 . . . A 979 LYS HD3 . 25404 1 450 . 1 1 35 35 LYS HE2 H 1 3.0800 0.05 . 2 . . . A 979 LYS HE2 . 25404 1 451 . 1 1 35 35 LYS HE3 H 1 2.9300 0.05 . 2 . . . A 979 LYS HE3 . 25404 1 452 . 1 1 35 35 LYS C C 13 177.9720 0.25 . 1 . . . A 979 LYS C . 25404 1 453 . 1 1 35 35 LYS CA C 13 60.1600 0.25 . 1 . . . A 979 LYS CA . 25404 1 454 . 1 1 35 35 LYS CB C 13 32.6000 0.25 . 1 . . . A 979 LYS CB . 25404 1 455 . 1 1 35 35 LYS CG C 13 24.9900 0.25 . 1 . . . A 979 LYS CG . 25404 1 456 . 1 1 35 35 LYS CD C 13 30.7500 0.25 . 1 . . . A 979 LYS CD . 25404 1 457 . 1 1 35 35 LYS CE C 13 42.1500 0.25 . 1 . . . A 979 LYS CE . 25404 1 458 . 1 1 35 35 LYS N N 15 118.4410 0.25 . 1 . . . A 979 LYS N . 25404 1 459 . 1 1 36 36 GLU H H 1 7.9940 0.05 . 1 . . . A 980 GLU H . 25404 1 460 . 1 1 36 36 GLU HA H 1 3.9600 0.05 . 1 . . . A 980 GLU HA . 25404 1 461 . 1 1 36 36 GLU HB2 H 1 2.0900 0.05 . 2 . . . A 980 GLU HB2 . 25404 1 462 . 1 1 36 36 GLU HB3 H 1 2.1800 0.05 . 2 . . . A 980 GLU HB3 . 25404 1 463 . 1 1 36 36 GLU HG2 H 1 2.2400 0.05 . 2 . . . A 980 GLU HG2 . 25404 1 464 . 1 1 36 36 GLU HG3 H 1 2.3350 0.05 . 2 . . . A 980 GLU HG3 . 25404 1 465 . 1 1 36 36 GLU C C 13 180.0500 0.25 . 1 . . . A 980 GLU C . 25404 1 466 . 1 1 36 36 GLU CA C 13 59.6580 0.25 . 1 . . . A 980 GLU CA . 25404 1 467 . 1 1 36 36 GLU CB C 13 29.6840 0.25 . 1 . . . A 980 GLU CB . 25404 1 468 . 1 1 36 36 GLU CG C 13 36.5000 0.25 . 1 . . . A 980 GLU CG . 25404 1 469 . 1 1 36 36 GLU N N 15 117.0080 0.25 . 1 . . . A 980 GLU N . 25404 1 470 . 1 1 37 37 ARG H H 1 8.1590 0.05 . 1 . . . A 981 ARG H . 25404 1 471 . 1 1 37 37 ARG HA H 1 4.1800 0.05 . 1 . . . A 981 ARG HA . 25404 1 472 . 1 1 37 37 ARG HB2 H 1 1.8400 0.05 . 2 . . . A 981 ARG HB2 . 25404 1 473 . 1 1 37 37 ARG HB3 H 1 2.0200 0.05 . 2 . . . A 981 ARG HB3 . 25404 1 474 . 1 1 37 37 ARG HG2 H 1 1.8200 0.05 . 2 . . . A 981 ARG HG2 . 25404 1 475 . 1 1 37 37 ARG HG3 H 1 1.8700 0.05 . 2 . . . A 981 ARG HG3 . 25404 1 476 . 1 1 37 37 ARG HD2 H 1 3.1200 0.05 . 2 . . . A 981 ARG HD2 . 25404 1 477 . 1 1 37 37 ARG HD3 H 1 3.1200 0.05 . 2 . . . A 981 ARG HD3 . 25404 1 478 . 1 1 37 37 ARG C C 13 179.5560 0.25 . 1 . . . A 981 ARG C . 25404 1 479 . 1 1 37 37 ARG CA C 13 56.9300 0.25 . 1 . . . A 981 ARG CA . 25404 1 480 . 1 1 37 37 ARG CB C 13 29.7500 0.25 . 1 . . . A 981 ARG CB . 25404 1 481 . 1 1 37 37 ARG CG C 13 28.2100 0.25 . 1 . . . A 981 ARG CG . 25404 1 482 . 1 1 37 37 ARG CD C 13 43.1900 0.25 . 1 . . . A 981 ARG CD . 25404 1 483 . 1 1 37 37 ARG N N 15 119.5300 0.25 . 1 . . . A 981 ARG N . 25404 1 484 . 1 1 38 38 ALA H H 1 8.9470 0.05 . 1 . . . A 982 ALA H . 25404 1 485 . 1 1 38 38 ALA HA H 1 4.2500 0.05 . 1 . . . A 982 ALA HA . 25404 1 486 . 1 1 38 38 ALA HB1 H 1 1.8460 0.05 . 1 . . . A 982 ALA HB1 . 25404 1 487 . 1 1 38 38 ALA HB2 H 1 1.8460 0.05 . 1 . . . A 982 ALA HB2 . 25404 1 488 . 1 1 38 38 ALA HB3 H 1 1.8460 0.05 . 1 . . . A 982 ALA HB3 . 25404 1 489 . 1 1 38 38 ALA C C 13 182.4150 0.25 . 1 . . . A 982 ALA C . 25404 1 490 . 1 1 38 38 ALA CA C 13 56.4170 0.25 . 1 . . . A 982 ALA CA . 25404 1 491 . 1 1 38 38 ALA CB C 13 19.6100 0.25 . 1 . . . A 982 ALA CB . 25404 1 492 . 1 1 38 38 ALA N N 15 126.1630 0.25 . 1 . . . A 982 ALA N . 25404 1 493 . 1 1 39 39 LEU H H 1 8.6380 0.05 . 1 . . . A 983 LEU H . 25404 1 494 . 1 1 39 39 LEU HA H 1 4.4300 0.05 . 1 . . . A 983 LEU HA . 25404 1 495 . 1 1 39 39 LEU HB2 H 1 2.0390 0.05 . 2 . . . A 983 LEU HB2 . 25404 1 496 . 1 1 39 39 LEU HB3 H 1 1.7630 0.05 . 2 . . . A 983 LEU HB3 . 25404 1 497 . 1 1 39 39 LEU HG H 1 2.1340 0.05 . 1 . . . A 983 LEU HG . 25404 1 498 . 1 1 39 39 LEU HD11 H 1 1.1200 0.05 . 2 . . . A 983 LEU HD11 . 25404 1 499 . 1 1 39 39 LEU HD12 H 1 1.1200 0.05 . 2 . . . A 983 LEU HD12 . 25404 1 500 . 1 1 39 39 LEU HD13 H 1 1.1200 0.05 . 2 . . . A 983 LEU HD13 . 25404 1 501 . 1 1 39 39 LEU HD21 H 1 1.0800 0.05 . 2 . . . A 983 LEU HD21 . 25404 1 502 . 1 1 39 39 LEU HD22 H 1 1.0800 0.05 . 2 . . . A 983 LEU HD22 . 25404 1 503 . 1 1 39 39 LEU HD23 H 1 1.0800 0.05 . 2 . . . A 983 LEU HD23 . 25404 1 504 . 1 1 39 39 LEU C C 13 178.6520 0.25 . 1 . . . A 983 LEU C . 25404 1 505 . 1 1 39 39 LEU CA C 13 57.5760 0.25 . 1 . . . A 983 LEU CA . 25404 1 506 . 1 1 39 39 LEU CB C 13 41.3700 0.25 . 1 . . . A 983 LEU CB . 25404 1 507 . 1 1 39 39 LEU CG C 13 27.8100 0.25 . 1 . . . A 983 LEU CG . 25404 1 508 . 1 1 39 39 LEU CD1 C 13 23.4500 0.25 . 2 . . . A 983 LEU CD1 . 25404 1 509 . 1 1 39 39 LEU CD2 C 13 25.6500 0.25 . 2 . . . A 983 LEU CD2 . 25404 1 510 . 1 1 39 39 LEU N N 15 119.4140 0.25 . 1 . . . A 983 LEU N . 25404 1 511 . 1 1 40 40 SER H H 1 7.7360 0.05 . 1 . . . A 984 SER H . 25404 1 512 . 1 1 40 40 SER HA H 1 4.6900 0.05 . 1 . . . A 984 SER HA . 25404 1 513 . 1 1 40 40 SER HB2 H 1 4.2560 0.05 . 2 . . . A 984 SER HB2 . 25404 1 514 . 1 1 40 40 SER HB3 H 1 4.1600 0.05 . 2 . . . A 984 SER HB3 . 25404 1 515 . 1 1 40 40 SER C C 13 174.7260 0.25 . 1 . . . A 984 SER C . 25404 1 516 . 1 1 40 40 SER CA C 13 59.3000 0.25 . 1 . . . A 984 SER CA . 25404 1 517 . 1 1 40 40 SER CB C 13 64.4000 0.25 . 1 . . . A 984 SER CB . 25404 1 518 . 1 1 40 40 SER N N 15 113.2750 0.25 . 1 . . . A 984 SER N . 25404 1 519 . 1 1 41 41 GLY H H 1 7.8800 0.05 . 1 . . . A 985 GLY H . 25404 1 520 . 1 1 41 41 GLY HA2 H 1 4.4500 0.05 . 2 . . . A 985 GLY HA2 . 25404 1 521 . 1 1 41 41 GLY HA3 H 1 3.9170 0.05 . 2 . . . A 985 GLY HA3 . 25404 1 522 . 1 1 41 41 GLY C C 13 174.7400 0.25 . 1 . . . A 985 GLY C . 25404 1 523 . 1 1 41 41 GLY CA C 13 45.7630 0.25 . 1 . . . A 985 GLY CA . 25404 1 524 . 1 1 41 41 GLY N N 15 108.3460 0.25 . 1 . . . A 985 GLY N . 25404 1 525 . 1 1 42 42 ALA H H 1 7.7900 0.05 . 1 . . . A 986 ALA H . 25404 1 526 . 1 1 42 42 ALA HA H 1 4.3900 0.05 . 1 . . . A 986 ALA HA . 25404 1 527 . 1 1 42 42 ALA HB1 H 1 1.6100 0.05 . 1 . . . A 986 ALA HB1 . 25404 1 528 . 1 1 42 42 ALA HB2 H 1 1.6100 0.05 . 1 . . . A 986 ALA HB2 . 25404 1 529 . 1 1 42 42 ALA HB3 H 1 1.6100 0.05 . 1 . . . A 986 ALA HB3 . 25404 1 530 . 1 1 42 42 ALA C C 13 177.8870 0.25 . 1 . . . A 986 ALA C . 25404 1 531 . 1 1 42 42 ALA CA C 13 53.8140 0.25 . 1 . . . A 986 ALA CA . 25404 1 532 . 1 1 42 42 ALA CB C 13 20.4000 0.25 . 1 . . . A 986 ALA CB . 25404 1 533 . 1 1 42 42 ALA N N 15 123.0240 0.25 . 1 . . . A 986 ALA N . 25404 1 534 . 1 1 43 43 SER H H 1 8.8100 0.05 . 1 . . . A 987 SER H . 25404 1 535 . 1 1 43 43 SER HA H 1 4.7300 0.05 . 1 . . . A 987 SER HA . 25404 1 536 . 1 1 43 43 SER HB2 H 1 4.1840 0.05 . 2 . . . A 987 SER HB2 . 25404 1 537 . 1 1 43 43 SER HB3 H 1 3.8930 0.05 . 2 . . . A 987 SER HB3 . 25404 1 538 . 1 1 43 43 SER C C 13 174.4290 0.25 . 1 . . . A 987 SER C . 25404 1 539 . 1 1 43 43 SER CA C 13 57.6290 0.25 . 1 . . . A 987 SER CA . 25404 1 540 . 1 1 43 43 SER CB C 13 64.3090 0.25 . 1 . . . A 987 SER CB . 25404 1 541 . 1 1 43 43 SER N N 15 111.8870 0.25 . 1 . . . A 987 SER N . 25404 1 542 . 1 1 44 44 ASP H H 1 7.9330 0.05 . 1 . . . A 988 ASP H . 25404 1 543 . 1 1 44 44 ASP HA H 1 4.9350 0.05 . 1 . . . A 988 ASP HA . 25404 1 544 . 1 1 44 44 ASP HB2 H 1 2.8140 0.05 . 2 . . . A 988 ASP HB2 . 25404 1 545 . 1 1 44 44 ASP HB3 H 1 3.0400 0.05 . 2 . . . A 988 ASP HB3 . 25404 1 546 . 1 1 44 44 ASP C C 13 173.3890 0.25 . 1 . . . A 988 ASP C . 25404 1 547 . 1 1 44 44 ASP CA C 13 53.4130 0.25 . 1 . . . A 988 ASP CA . 25404 1 548 . 1 1 44 44 ASP CB C 13 40.1600 0.25 . 1 . . . A 988 ASP CB . 25404 1 549 . 1 1 44 44 ASP N N 15 120.0530 0.25 . 1 . . . A 988 ASP N . 25404 1 550 . 1 1 45 45 PRO HA H 1 4.3200 0.05 . 1 . . . A 989 PRO HA . 25404 1 551 . 1 1 45 45 PRO HB2 H 1 2.4800 0.05 . 2 . . . A 989 PRO HB2 . 25404 1 552 . 1 1 45 45 PRO HB3 H 1 2.0560 0.05 . 2 . . . A 989 PRO HB3 . 25404 1 553 . 1 1 45 45 PRO HG2 H 1 2.1560 0.05 . 2 . . . A 989 PRO HG2 . 25404 1 554 . 1 1 45 45 PRO HG3 H 1 2.2800 0.05 . 2 . . . A 989 PRO HG3 . 25404 1 555 . 1 1 45 45 PRO HD2 H 1 3.9700 0.05 . 2 . . . A 989 PRO HD2 . 25404 1 556 . 1 1 45 45 PRO HD3 H 1 4.0300 0.05 . 2 . . . A 989 PRO HD3 . 25404 1 557 . 1 1 45 45 PRO C C 13 179.4640 0.25 . 1 . . . A 989 PRO C . 25404 1 558 . 1 1 45 45 PRO CA C 13 66.7560 0.25 . 1 . . . A 989 PRO CA . 25404 1 559 . 1 1 45 45 PRO CB C 13 32.6420 0.25 . 1 . . . A 989 PRO CB . 25404 1 560 . 1 1 45 45 PRO CG C 13 28.4500 0.25 . 1 . . . A 989 PRO CG . 25404 1 561 . 1 1 45 45 PRO CD C 13 50.6260 0.25 . 1 . . . A 989 PRO CD . 25404 1 562 . 1 1 46 46 ASP H H 1 8.4180 0.05 . 1 . . . A 990 ASP H . 25404 1 563 . 1 1 46 46 ASP HA H 1 4.5870 0.05 . 1 . . . A 990 ASP HA . 25404 1 564 . 1 1 46 46 ASP HB2 H 1 2.8200 0.05 . 2 . . . A 990 ASP HB2 . 25404 1 565 . 1 1 46 46 ASP HB3 H 1 2.7400 0.05 . 2 . . . A 990 ASP HB3 . 25404 1 566 . 1 1 46 46 ASP C C 13 178.1850 0.25 . 1 . . . A 990 ASP C . 25404 1 567 . 1 1 46 46 ASP CA C 13 58.1270 0.25 . 1 . . . A 990 ASP CA . 25404 1 568 . 1 1 46 46 ASP CB C 13 40.1900 0.25 . 1 . . . A 990 ASP CB . 25404 1 569 . 1 1 46 46 ASP N N 15 118.7270 0.25 . 1 . . . A 990 ASP N . 25404 1 570 . 1 1 47 47 SER H H 1 8.0930 0.05 . 1 . . . A 991 SER H . 25404 1 571 . 1 1 47 47 SER HA H 1 4.2780 0.05 . 1 . . . A 991 SER HA . 25404 1 572 . 1 1 47 47 SER HB2 H 1 3.9140 0.05 . 2 . . . A 991 SER HB2 . 25404 1 573 . 1 1 47 47 SER HB3 H 1 3.6660 0.05 . 2 . . . A 991 SER HB3 . 25404 1 574 . 1 1 47 47 SER CA C 13 64.1000 0.25 . 1 . . . A 991 SER CA . 25404 1 575 . 1 1 47 47 SER CB C 13 62.8320 0.25 . 1 . . . A 991 SER CB . 25404 1 576 . 1 1 47 47 SER N N 15 121.2040 0.25 . 1 . . . A 991 SER N . 25404 1 577 . 1 1 48 48 GLN H H 1 8.1310 0.05 . 1 . . . A 992 GLN H . 25404 1 578 . 1 1 48 48 GLN HA H 1 4.2840 0.05 . 1 . . . A 992 GLN HA . 25404 1 579 . 1 1 48 48 GLN HB2 H 1 2.2440 0.05 . 2 . . . A 992 GLN HB2 . 25404 1 580 . 1 1 48 48 GLN HB3 H 1 2.1700 0.05 . 2 . . . A 992 GLN HB3 . 25404 1 581 . 1 1 48 48 GLN HG2 H 1 2.5160 0.05 . 2 . . . A 992 GLN HG2 . 25404 1 582 . 1 1 48 48 GLN HG3 H 1 2.4210 0.05 . 2 . . . A 992 GLN HG3 . 25404 1 583 . 1 1 48 48 GLN HE21 H 1 6.9400 0.05 . 2 . . . A 992 GLN HE21 . 25404 1 584 . 1 1 48 48 GLN HE22 H 1 7.5000 0.05 . 2 . . . A 992 GLN HE22 . 25404 1 585 . 1 1 48 48 GLN C C 13 179.6210 0.25 . 1 . . . A 992 GLN C . 25404 1 586 . 1 1 48 48 GLN CA C 13 59.6700 0.25 . 1 . . . A 992 GLN CA . 25404 1 587 . 1 1 48 48 GLN CB C 13 28.7300 0.25 . 1 . . . A 992 GLN CB . 25404 1 588 . 1 1 48 48 GLN CG C 13 34.5000 0.25 . 1 . . . A 992 GLN CG . 25404 1 589 . 1 1 48 48 GLN N N 15 119.1370 0.25 . 1 . . . A 992 GLN N . 25404 1 590 . 1 1 48 48 GLN NE2 N 15 112.1500 0.25 . 1 . . . A 992 GLN NE2 . 25404 1 591 . 1 1 49 49 ARG H H 1 8.3450 0.05 . 1 . . . A 993 ARG H . 25404 1 592 . 1 1 49 49 ARG HA H 1 4.1740 0.05 . 1 . . . A 993 ARG HA . 25404 1 593 . 1 1 49 49 ARG HB2 H 1 1.9200 0.05 . 2 . . . A 993 ARG HB2 . 25404 1 594 . 1 1 49 49 ARG HB3 H 1 1.9200 0.05 . 2 . . . A 993 ARG HB3 . 25404 1 595 . 1 1 49 49 ARG HG2 H 1 1.2800 0.05 . 2 . . . A 993 ARG HG2 . 25404 1 596 . 1 1 49 49 ARG HG3 H 1 1.2800 0.05 . 2 . . . A 993 ARG HG3 . 25404 1 597 . 1 1 49 49 ARG HD2 H 1 3.3200 0.05 . 2 . . . A 993 ARG HD2 . 25404 1 598 . 1 1 49 49 ARG HD3 H 1 3.3200 0.05 . 2 . . . A 993 ARG HD3 . 25404 1 599 . 1 1 49 49 ARG C C 13 179.4650 0.25 . 1 . . . A 993 ARG C . 25404 1 600 . 1 1 49 49 ARG CA C 13 59.8920 0.25 . 1 . . . A 993 ARG CA . 25404 1 601 . 1 1 49 49 ARG CB C 13 30.2920 0.25 . 1 . . . A 993 ARG CB . 25404 1 602 . 1 1 49 49 ARG CG C 13 27.7800 0.25 . 1 . . . A 993 ARG CG . 25404 1 603 . 1 1 49 49 ARG CD C 13 43.7000 0.25 . 1 . . . A 993 ARG CD . 25404 1 604 . 1 1 49 49 ARG N N 15 122.0370 0.25 . 1 . . . A 993 ARG N . 25404 1 605 . 1 1 50 50 TYR H H 1 9.2850 0.05 . 1 . . . A 994 TYR H . 25404 1 606 . 1 1 50 50 TYR HA H 1 4.6000 0.05 . 1 . . . A 994 TYR HA . 25404 1 607 . 1 1 50 50 TYR HB2 H 1 3.4400 0.05 . 2 . . . A 994 TYR HB2 . 25404 1 608 . 1 1 50 50 TYR HB3 H 1 3.4400 0.05 . 2 . . . A 994 TYR HB3 . 25404 1 609 . 1 1 50 50 TYR HD1 H 1 7.0100 0.05 . 3 . . . A 994 TYR HD1 . 25404 1 610 . 1 1 50 50 TYR HD2 H 1 7.0100 0.05 . 3 . . . A 994 TYR HD2 . 25404 1 611 . 1 1 50 50 TYR HE1 H 1 7.0100 0.05 . 3 . . . A 994 TYR HE1 . 25404 1 612 . 1 1 50 50 TYR HE2 H 1 7.0100 0.05 . 3 . . . A 994 TYR HE2 . 25404 1 613 . 1 1 50 50 TYR C C 13 176.4680 0.25 . 1 . . . A 994 TYR C . 25404 1 614 . 1 1 50 50 TYR CA C 13 63.6780 0.25 . 1 . . . A 994 TYR CA . 25404 1 615 . 1 1 50 50 TYR CB C 13 39.3000 0.25 . 1 . . . A 994 TYR CB . 25404 1 616 . 1 1 50 50 TYR CD1 C 13 129.1200 0.25 . 3 . . . A 994 TYR CD1 . 25404 1 617 . 1 1 50 50 TYR CD2 C 13 129.1200 0.25 . 3 . . . A 994 TYR CD2 . 25404 1 618 . 1 1 50 50 TYR CE1 C 13 118.5800 0.25 . 3 . . . A 994 TYR CE1 . 25404 1 619 . 1 1 50 50 TYR CE2 C 13 118.5800 0.25 . 3 . . . A 994 TYR CE2 . 25404 1 620 . 1 1 50 50 TYR N N 15 122.8550 0.25 . 1 . . . A 994 TYR N . 25404 1 621 . 1 1 51 51 ASN H H 1 8.6780 0.05 . 1 . . . A 995 ASN H . 25404 1 622 . 1 1 51 51 ASN HA H 1 4.5490 0.05 . 1 . . . A 995 ASN HA . 25404 1 623 . 1 1 51 51 ASN HB2 H 1 2.9900 0.05 . 2 . . . A 995 ASN HB2 . 25404 1 624 . 1 1 51 51 ASN HB3 H 1 2.9100 0.05 . 2 . . . A 995 ASN HB3 . 25404 1 625 . 1 1 51 51 ASN HD21 H 1 7.1500 0.05 . 2 . . . A 995 ASN HD21 . 25404 1 626 . 1 1 51 51 ASN HD22 H 1 7.3900 0.05 . 2 . . . A 995 ASN HD22 . 25404 1 627 . 1 1 51 51 ASN C C 13 178.7630 0.25 . 1 . . . A 995 ASN C . 25404 1 628 . 1 1 51 51 ASN CA C 13 56.9420 0.25 . 1 . . . A 995 ASN CA . 25404 1 629 . 1 1 51 51 ASN CB C 13 38.4400 0.25 . 1 . . . A 995 ASN CB . 25404 1 630 . 1 1 51 51 ASN N N 15 117.8310 0.25 . 1 . . . A 995 ASN N . 25404 1 631 . 1 1 51 51 ASN ND2 N 15 110.8500 0.25 . 1 . . . A 995 ASN ND2 . 25404 1 632 . 1 1 52 52 ALA H H 1 7.9840 0.05 . 1 . . . A 996 ALA H . 25404 1 633 . 1 1 52 52 ALA HA H 1 4.3700 0.05 . 1 . . . A 996 ALA HA . 25404 1 634 . 1 1 52 52 ALA HB1 H 1 1.6800 0.05 . 1 . . . A 996 ALA HB1 . 25404 1 635 . 1 1 52 52 ALA HB2 H 1 1.6800 0.05 . 1 . . . A 996 ALA HB2 . 25404 1 636 . 1 1 52 52 ALA HB3 H 1 1.6800 0.05 . 1 . . . A 996 ALA HB3 . 25404 1 637 . 1 1 52 52 ALA C C 13 179.8480 0.25 . 1 . . . A 996 ALA C . 25404 1 638 . 1 1 52 52 ALA CA C 13 55.3170 0.25 . 1 . . . A 996 ALA CA . 25404 1 639 . 1 1 52 52 ALA CB C 13 18.6900 0.25 . 1 . . . A 996 ALA CB . 25404 1 640 . 1 1 52 52 ALA N N 15 122.1570 0.25 . 1 . . . A 996 ALA N . 25404 1 641 . 1 1 53 53 TRP H H 1 8.7600 0.05 . 1 . . . A 997 TRP H . 25404 1 642 . 1 1 53 53 TRP HA H 1 4.3810 0.05 . 1 . . . A 997 TRP HA . 25404 1 643 . 1 1 53 53 TRP HB2 H 1 4.0720 0.05 . 2 . . . A 997 TRP HB2 . 25404 1 644 . 1 1 53 53 TRP HB3 H 1 3.8020 0.05 . 2 . . . A 997 TRP HB3 . 25404 1 645 . 1 1 53 53 TRP HD1 H 1 7.7000 0.05 . 1 . . . A 997 TRP HD1 . 25404 1 646 . 1 1 53 53 TRP HE1 H 1 11.8500 0.05 . 1 . . . A 997 TRP HE1 . 25404 1 647 . 1 1 53 53 TRP HE3 H 1 7.3960 0.05 . 1 . . . A 997 TRP HE3 . 25404 1 648 . 1 1 53 53 TRP HZ2 H 1 7.1700 0.05 . 1 . . . A 997 TRP HZ2 . 25404 1 649 . 1 1 53 53 TRP HZ3 H 1 7.3900 0.05 . 1 . . . A 997 TRP HZ3 . 25404 1 650 . 1 1 53 53 TRP HH2 H 1 7.3800 0.05 . 1 . . . A 997 TRP HH2 . 25404 1 651 . 1 1 53 53 TRP C C 13 178.3830 0.25 . 1 . . . A 997 TRP C . 25404 1 652 . 1 1 53 53 TRP CA C 13 62.1820 0.25 . 1 . . . A 997 TRP CA . 25404 1 653 . 1 1 53 53 TRP CB C 13 29.3000 0.25 . 1 . . . A 997 TRP CB . 25404 1 654 . 1 1 53 53 TRP CD1 C 13 124.6000 0.25 . 1 . . . A 997 TRP CD1 . 25404 1 655 . 1 1 53 53 TRP CE3 C 13 120.3600 0.25 . 1 . . . A 997 TRP CE3 . 25404 1 656 . 1 1 53 53 TRP CZ2 C 13 115.3500 0.25 . 1 . . . A 997 TRP CZ2 . 25404 1 657 . 1 1 53 53 TRP CZ3 C 13 121.6600 0.25 . 1 . . . A 997 TRP CZ3 . 25404 1 658 . 1 1 53 53 TRP CH2 C 13 123.5500 0.25 . 1 . . . A 997 TRP CH2 . 25404 1 659 . 1 1 53 53 TRP N N 15 123.6100 0.25 . 1 . . . A 997 TRP N . 25404 1 660 . 1 1 53 53 TRP NE1 N 15 133.3500 0.25 . 1 . . . A 997 TRP NE1 . 25404 1 661 . 1 1 54 54 LEU H H 1 9.0300 0.05 . 1 . . . A 998 LEU H . 25404 1 662 . 1 1 54 54 LEU HA H 1 3.5700 0.05 . 1 . . . A 998 LEU HA . 25404 1 663 . 1 1 54 54 LEU HB2 H 1 1.5900 0.05 . 2 . . . A 998 LEU HB2 . 25404 1 664 . 1 1 54 54 LEU HB3 H 1 1.6600 0.05 . 2 . . . A 998 LEU HB3 . 25404 1 665 . 1 1 54 54 LEU HG H 1 1.8200 0.05 . 1 . . . A 998 LEU HG . 25404 1 666 . 1 1 54 54 LEU HD11 H 1 1.0200 0.05 . 2 . . . A 998 LEU HD11 . 25404 1 667 . 1 1 54 54 LEU HD12 H 1 1.0200 0.05 . 2 . . . A 998 LEU HD12 . 25404 1 668 . 1 1 54 54 LEU HD13 H 1 1.0200 0.05 . 2 . . . A 998 LEU HD13 . 25404 1 669 . 1 1 54 54 LEU HD21 H 1 0.7930 0.05 . 2 . . . A 998 LEU HD21 . 25404 1 670 . 1 1 54 54 LEU HD22 H 1 0.7930 0.05 . 2 . . . A 998 LEU HD22 . 25404 1 671 . 1 1 54 54 LEU HD23 H 1 0.7930 0.05 . 2 . . . A 998 LEU HD23 . 25404 1 672 . 1 1 54 54 LEU C C 13 180.0030 0.25 . 1 . . . A 998 LEU C . 25404 1 673 . 1 1 54 54 LEU CA C 13 57.9230 0.25 . 1 . . . A 998 LEU CA . 25404 1 674 . 1 1 54 54 LEU CB C 13 42.6000 0.25 . 1 . . . A 998 LEU CB . 25404 1 675 . 1 1 54 54 LEU CG C 13 26.8900 0.25 . 1 . . . A 998 LEU CG . 25404 1 676 . 1 1 54 54 LEU CD1 C 13 24.2600 0.25 . 2 . . . A 998 LEU CD1 . 25404 1 677 . 1 1 54 54 LEU CD2 C 13 22.4000 0.25 . 2 . . . A 998 LEU CD2 . 25404 1 678 . 1 1 54 54 LEU N N 15 120.2470 0.25 . 1 . . . A 998 LEU N . 25404 1 679 . 1 1 55 55 GLU H H 1 7.5740 0.05 . 1 . . . A 999 GLU H . 25404 1 680 . 1 1 55 55 GLU HA H 1 4.0660 0.05 . 1 . . . A 999 GLU HA . 25404 1 681 . 1 1 55 55 GLU HB2 H 1 2.2380 0.05 . 2 . . . A 999 GLU HB2 . 25404 1 682 . 1 1 55 55 GLU HB3 H 1 2.1550 0.05 . 2 . . . A 999 GLU HB3 . 25404 1 683 . 1 1 55 55 GLU HG2 H 1 2.3000 0.05 . 2 . . . A 999 GLU HG2 . 25404 1 684 . 1 1 55 55 GLU HG3 H 1 2.5000 0.05 . 2 . . . A 999 GLU HG3 . 25404 1 685 . 1 1 55 55 GLU C C 13 178.7850 0.25 . 1 . . . A 999 GLU C . 25404 1 686 . 1 1 55 55 GLU CA C 13 59.4730 0.25 . 1 . . . A 999 GLU CA . 25404 1 687 . 1 1 55 55 GLU CB C 13 29.8600 0.25 . 1 . . . A 999 GLU CB . 25404 1 688 . 1 1 55 55 GLU CG C 13 36.6000 0.25 . 1 . . . A 999 GLU CG . 25404 1 689 . 1 1 55 55 GLU N N 15 118.4490 0.25 . 1 . . . A 999 GLU N . 25404 1 690 . 1 1 56 56 LEU H H 1 7.4590 0.05 . 1 . . . A 1000 LEU H . 25404 1 691 . 1 1 56 56 LEU HA H 1 4.1330 0.05 . 1 . . . A 1000 LEU HA . 25404 1 692 . 1 1 56 56 LEU HB2 H 1 1.8430 0.05 . 2 . . . A 1000 LEU HB2 . 25404 1 693 . 1 1 56 56 LEU HB3 H 1 1.7040 0.05 . 2 . . . A 1000 LEU HB3 . 25404 1 694 . 1 1 56 56 LEU HG H 1 1.0420 0.05 . 1 . . . A 1000 LEU HG . 25404 1 695 . 1 1 56 56 LEU HD11 H 1 0.9740 0.05 . 2 . . . A 1000 LEU HD11 . 25404 1 696 . 1 1 56 56 LEU HD12 H 1 0.9740 0.05 . 2 . . . A 1000 LEU HD12 . 25404 1 697 . 1 1 56 56 LEU HD13 H 1 0.9740 0.05 . 2 . . . A 1000 LEU HD13 . 25404 1 698 . 1 1 56 56 LEU HD21 H 1 0.9790 0.05 . 2 . . . A 1000 LEU HD21 . 25404 1 699 . 1 1 56 56 LEU HD22 H 1 0.9790 0.05 . 2 . . . A 1000 LEU HD22 . 25404 1 700 . 1 1 56 56 LEU HD23 H 1 0.9790 0.05 . 2 . . . A 1000 LEU HD23 . 25404 1 701 . 1 1 56 56 LEU C C 13 179.3420 0.25 . 1 . . . A 1000 LEU C . 25404 1 702 . 1 1 56 56 LEU CA C 13 57.5540 0.25 . 1 . . . A 1000 LEU CA . 25404 1 703 . 1 1 56 56 LEU CB C 13 42.1600 0.25 . 1 . . . A 1000 LEU CB . 25404 1 704 . 1 1 56 56 LEU CG C 13 25.3000 0.25 . 1 . . . A 1000 LEU CG . 25404 1 705 . 1 1 56 56 LEU CD1 C 13 24.2000 0.25 . 2 . . . A 1000 LEU CD1 . 25404 1 706 . 1 1 56 56 LEU CD2 C 13 24.2000 0.25 . 2 . . . A 1000 LEU CD2 . 25404 1 707 . 1 1 56 56 LEU N N 15 119.1470 0.25 . 1 . . . A 1000 LEU N . 25404 1 708 . 1 1 57 57 ARG H H 1 7.8550 0.05 . 1 . . . A 1001 ARG H . 25404 1 709 . 1 1 57 57 ARG HA H 1 3.7410 0.05 . 1 . . . A 1001 ARG HA . 25404 1 710 . 1 1 57 57 ARG HB2 H 1 1.5320 0.05 . 2 . . . A 1001 ARG HB2 . 25404 1 711 . 1 1 57 57 ARG HB3 H 1 1.0890 0.05 . 2 . . . A 1001 ARG HB3 . 25404 1 712 . 1 1 57 57 ARG HG2 H 1 1.1500 0.05 . 2 . . . A 1001 ARG HG2 . 25404 1 713 . 1 1 57 57 ARG HG3 H 1 1.2700 0.05 . 2 . . . A 1001 ARG HG3 . 25404 1 714 . 1 1 57 57 ARG HD2 H 1 2.1650 0.05 . 2 . . . A 1001 ARG HD2 . 25404 1 715 . 1 1 57 57 ARG HD3 H 1 2.0600 0.05 . 2 . . . A 1001 ARG HD3 . 25404 1 716 . 1 1 57 57 ARG C C 13 177.7150 0.25 . 1 . . . A 1001 ARG C . 25404 1 717 . 1 1 57 57 ARG CA C 13 58.7340 0.25 . 1 . . . A 1001 ARG CA . 25404 1 718 . 1 1 57 57 ARG CB C 13 30.5500 0.25 . 1 . . . A 1001 ARG CB . 25404 1 719 . 1 1 57 57 ARG CG C 13 27.7900 0.25 . 1 . . . A 1001 ARG CG . 25404 1 720 . 1 1 57 57 ARG CD C 13 43.6800 0.25 . 1 . . . A 1001 ARG CD . 25404 1 721 . 1 1 57 57 ARG N N 15 121.0300 0.25 . 1 . . . A 1001 ARG N . 25404 1 722 . 1 1 58 58 ALA H H 1 7.8990 0.05 . 1 . . . A 1002 ALA H . 25404 1 723 . 1 1 58 58 ALA HA H 1 4.1720 0.05 . 1 . . . A 1002 ALA HA . 25404 1 724 . 1 1 58 58 ALA HB1 H 1 1.5000 0.05 . 1 . . . A 1002 ALA HB1 . 25404 1 725 . 1 1 58 58 ALA HB2 H 1 1.5000 0.05 . 1 . . . A 1002 ALA HB2 . 25404 1 726 . 1 1 58 58 ALA HB3 H 1 1.5000 0.05 . 1 . . . A 1002 ALA HB3 . 25404 1 727 . 1 1 58 58 ALA C C 13 179.1020 0.25 . 1 . . . A 1002 ALA C . 25404 1 728 . 1 1 58 58 ALA CA C 13 54.1110 0.25 . 1 . . . A 1002 ALA CA . 25404 1 729 . 1 1 58 58 ALA CB C 13 18.7400 0.25 . 1 . . . A 1002 ALA CB . 25404 1 730 . 1 1 58 58 ALA N N 15 120.9730 0.25 . 1 . . . A 1002 ALA N . 25404 1 731 . 1 1 59 59 LYS H H 1 7.6570 0.05 . 1 . . . A 1003 LYS H . 25404 1 732 . 1 1 59 59 LYS HA H 1 4.2780 0.05 . 1 . . . A 1003 LYS HA . 25404 1 733 . 1 1 59 59 LYS HB2 H 1 1.9250 0.05 . 2 . . . A 1003 LYS HB2 . 25404 1 734 . 1 1 59 59 LYS HB3 H 1 1.9900 0.05 . 2 . . . A 1003 LYS HB3 . 25404 1 735 . 1 1 59 59 LYS HG2 H 1 1.6640 0.05 . 2 . . . A 1003 LYS HG2 . 25404 1 736 . 1 1 59 59 LYS HG3 H 1 1.5400 0.05 . 2 . . . A 1003 LYS HG3 . 25404 1 737 . 1 1 59 59 LYS HD2 H 1 1.9670 0.05 . 2 . . . A 1003 LYS HD2 . 25404 1 738 . 1 1 59 59 LYS HD3 H 1 1.9670 0.05 . 2 . . . A 1003 LYS HD3 . 25404 1 739 . 1 1 59 59 LYS HE2 H 1 3.0470 0.05 . 2 . . . A 1003 LYS HE2 . 25404 1 740 . 1 1 59 59 LYS HE3 H 1 3.0470 0.05 . 2 . . . A 1003 LYS HE3 . 25404 1 741 . 1 1 59 59 LYS C C 13 177.2260 0.25 . 1 . . . A 1003 LYS C . 25404 1 742 . 1 1 59 59 LYS CA C 13 57.3730 0.25 . 1 . . . A 1003 LYS CA . 25404 1 743 . 1 1 59 59 LYS CB C 13 33.0000 0.25 . 1 . . . A 1003 LYS CB . 25404 1 744 . 1 1 59 59 LYS CG C 13 25.4600 0.25 . 1 . . . A 1003 LYS CG . 25404 1 745 . 1 1 59 59 LYS CD C 13 32.6700 0.25 . 1 . . . A 1003 LYS CD . 25404 1 746 . 1 1 59 59 LYS CE C 13 41.9460 0.25 . 1 . . . A 1003 LYS CE . 25404 1 747 . 1 1 59 59 LYS N N 15 117.5430 0.25 . 1 . . . A 1003 LYS N . 25404 1 748 . 1 1 60 60 ARG H H 1 7.8710 0.05 . 1 . . . A 1004 ARG H . 25404 1 749 . 1 1 60 60 ARG HA H 1 4.3380 0.05 . 1 . . . A 1004 ARG HA . 25404 1 750 . 1 1 60 60 ARG HB2 H 1 1.9250 0.05 . 2 . . . A 1004 ARG HB2 . 25404 1 751 . 1 1 60 60 ARG HB3 H 1 1.9670 0.05 . 2 . . . A 1004 ARG HB3 . 25404 1 752 . 1 1 60 60 ARG HG2 H 1 1.7300 0.05 . 2 . . . A 1004 ARG HG2 . 25404 1 753 . 1 1 60 60 ARG HG3 H 1 1.7300 0.05 . 2 . . . A 1004 ARG HG3 . 25404 1 754 . 1 1 60 60 ARG HD2 H 1 3.2500 0.05 . 2 . . . A 1004 ARG HD2 . 25404 1 755 . 1 1 60 60 ARG HD3 H 1 3.2500 0.05 . 2 . . . A 1004 ARG HD3 . 25404 1 756 . 1 1 60 60 ARG C C 13 176.5300 0.25 . 1 . . . A 1004 ARG C . 25404 1 757 . 1 1 60 60 ARG CA C 13 57.2950 0.25 . 1 . . . A 1004 ARG CA . 25404 1 758 . 1 1 60 60 ARG CB C 13 30.7680 0.25 . 1 . . . A 1004 ARG CB . 25404 1 759 . 1 1 60 60 ARG CG C 13 27.0460 0.25 . 1 . . . A 1004 ARG CG . 25404 1 760 . 1 1 60 60 ARG CD C 13 43.7290 0.25 . 1 . . . A 1004 ARG CD . 25404 1 761 . 1 1 60 60 ARG N N 15 120.1140 0.25 . 1 . . . A 1004 ARG N . 25404 1 762 . 1 1 61 61 LEU H H 1 8.0990 0.05 . 1 . . . A 1005 LEU H . 25404 1 763 . 1 1 61 61 LEU HA H 1 4.4850 0.05 . 1 . . . A 1005 LEU HA . 25404 1 764 . 1 1 61 61 LEU HB2 H 1 1.7400 0.05 . 2 . . . A 1005 LEU HB2 . 25404 1 765 . 1 1 61 61 LEU HB3 H 1 1.7400 0.05 . 2 . . . A 1005 LEU HB3 . 25404 1 766 . 1 1 61 61 LEU HG H 1 1.7400 0.05 . 1 . . . A 1005 LEU HG . 25404 1 767 . 1 1 61 61 LEU HD11 H 1 0.9770 0.05 . 2 . . . A 1005 LEU HD11 . 25404 1 768 . 1 1 61 61 LEU HD12 H 1 0.9770 0.05 . 2 . . . A 1005 LEU HD12 . 25404 1 769 . 1 1 61 61 LEU HD13 H 1 0.9770 0.05 . 2 . . . A 1005 LEU HD13 . 25404 1 770 . 1 1 61 61 LEU HD21 H 1 0.9460 0.05 . 2 . . . A 1005 LEU HD21 . 25404 1 771 . 1 1 61 61 LEU HD22 H 1 0.9460 0.05 . 2 . . . A 1005 LEU HD22 . 25404 1 772 . 1 1 61 61 LEU HD23 H 1 0.9460 0.05 . 2 . . . A 1005 LEU HD23 . 25404 1 773 . 1 1 61 61 LEU C C 13 176.5680 0.25 . 1 . . . A 1005 LEU C . 25404 1 774 . 1 1 61 61 LEU CA C 13 55.5400 0.25 . 1 . . . A 1005 LEU CA . 25404 1 775 . 1 1 61 61 LEU CB C 13 42.7000 0.25 . 1 . . . A 1005 LEU CB . 25404 1 776 . 1 1 61 61 LEU CG C 13 26.9200 0.25 . 1 . . . A 1005 LEU CG . 25404 1 777 . 1 1 61 61 LEU CD1 C 13 25.4600 0.25 . 2 . . . A 1005 LEU CD1 . 25404 1 778 . 1 1 61 61 LEU CD2 C 13 23.3600 0.25 . 2 . . . A 1005 LEU CD2 . 25404 1 779 . 1 1 61 61 LEU N N 15 122.1290 0.25 . 1 . . . A 1005 LEU N . 25404 1 780 . 1 1 62 62 SER H H 1 7.7870 0.05 . 1 . . . A 1006 SER H . 25404 1 781 . 1 1 62 62 SER HA H 1 4.3300 0.05 . 1 . . . A 1006 SER HA . 25404 1 782 . 1 1 62 62 SER HB2 H 1 3.9500 0.05 . 2 . . . A 1006 SER HB2 . 25404 1 783 . 1 1 62 62 SER HB3 H 1 3.9400 0.05 . 2 . . . A 1006 SER HB3 . 25404 1 784 . 1 1 62 62 SER C C 13 178.5730 0.25 . 1 . . . A 1006 SER C . 25404 1 785 . 1 1 62 62 SER CA C 13 60.5000 0.25 . 1 . . . A 1006 SER CA . 25404 1 786 . 1 1 62 62 SER CB C 13 65.2450 0.25 . 1 . . . A 1006 SER CB . 25404 1 787 . 1 1 62 62 SER N N 15 121.3920 0.25 . 1 . . . A 1006 SER N . 25404 1 stop_ save_