data_19061 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19061 _Entry.Title ; 1H,13C and 15N resonance assignments of Ca2+ - bound human S100A15 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-27 _Entry.Accession_date 2013-02-27 _Entry.Last_release_date 2015-07-24 _Entry.Original_release_date 2015-07-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'S100A15 calcium binding protein' _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 'Ching Chang' Cho . . . 19061 2 Chin Yu . . . 19061 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19061 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 305 19061 '15N chemical shifts' 76 19061 '1H chemical shifts' 472 19061 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 . . 2015-07-24 . original BMRB . 19061 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19061 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22392334 _Citation.Full_citation . _Citation.Title ; (1)H, (15)N and (13)C assignments of the calcium bound S100P. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 5 _Citation.Page_last 8 _Citation.Year 2013 _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 Srinivasa Penumutchu . R. . 19061 1 2 Sepuru Mohan . K. . 19061 1 3 Chin Yu . . . 19061 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Alpha Helix' 19061 1 'Halo S100A15' 19061 1 'calcium binding protein' 19061 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19061 _Assembly.ID 1 _Assembly.Name S100A15 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 10696.9961 _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 S100A15 1 $S100A15 A . yes native no no . . . 19061 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100A15 _Entity.Sf_category entity _Entity.Sf_framecode S100A15 _Entity.Entry_ID 19061 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A15 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTKLEEHLEGIVNIFHQYSS RVGHFDTLSKGELKQLLTKE LANTIKNIKDKAVIDEIFQG LDANQDEQVTFQEFISLVAI ALKAAHYHTHKE ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10696.9961 _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 MET . 19061 1 2 2 THR . 19061 1 3 3 LYS . 19061 1 4 4 LEU . 19061 1 5 5 GLU . 19061 1 6 6 GLU . 19061 1 7 7 HIS . 19061 1 8 8 LEU . 19061 1 9 9 GLU . 19061 1 10 10 GLY . 19061 1 11 11 ILE . 19061 1 12 12 VAL . 19061 1 13 13 ASN . 19061 1 14 14 ILE . 19061 1 15 15 PHE . 19061 1 16 16 HIS . 19061 1 17 17 GLN . 19061 1 18 18 TYR . 19061 1 19 19 SER . 19061 1 20 20 SER . 19061 1 21 21 ARG . 19061 1 22 22 VAL . 19061 1 23 23 GLY . 19061 1 24 24 HIS . 19061 1 25 25 PHE . 19061 1 26 26 ASP . 19061 1 27 27 THR . 19061 1 28 28 LEU . 19061 1 29 29 SER . 19061 1 30 30 LYS . 19061 1 31 31 GLY . 19061 1 32 32 GLU . 19061 1 33 33 LEU . 19061 1 34 34 LYS . 19061 1 35 35 GLN . 19061 1 36 36 LEU . 19061 1 37 37 LEU . 19061 1 38 38 THR . 19061 1 39 39 LYS . 19061 1 40 40 GLU . 19061 1 41 41 LEU . 19061 1 42 42 ALA . 19061 1 43 43 ASN . 19061 1 44 44 THR . 19061 1 45 45 ILE . 19061 1 46 46 LYS . 19061 1 47 47 ASN . 19061 1 48 48 ILE . 19061 1 49 49 LYS . 19061 1 50 50 ASP . 19061 1 51 51 LYS . 19061 1 52 52 ALA . 19061 1 53 53 VAL . 19061 1 54 54 ILE . 19061 1 55 55 ASP . 19061 1 56 56 GLU . 19061 1 57 57 ILE . 19061 1 58 58 PHE . 19061 1 59 59 GLN . 19061 1 60 60 GLY . 19061 1 61 61 LEU . 19061 1 62 62 ASP . 19061 1 63 63 ALA . 19061 1 64 64 ASN . 19061 1 65 65 GLN . 19061 1 66 66 ASP . 19061 1 67 67 GLU . 19061 1 68 68 GLN . 19061 1 69 69 VAL . 19061 1 70 70 THR . 19061 1 71 71 PHE . 19061 1 72 72 GLN . 19061 1 73 73 GLU . 19061 1 74 74 PHE . 19061 1 75 75 ILE . 19061 1 76 76 SER . 19061 1 77 77 LEU . 19061 1 78 78 VAL . 19061 1 79 79 ALA . 19061 1 80 80 ILE . 19061 1 81 81 ALA . 19061 1 82 82 LEU . 19061 1 83 83 LYS . 19061 1 84 84 ALA . 19061 1 85 85 ALA . 19061 1 86 86 HIS . 19061 1 87 87 TYR . 19061 1 88 88 HIS . 19061 1 89 89 THR . 19061 1 90 90 HIS . 19061 1 91 91 LYS . 19061 1 92 92 GLU . 19061 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 . MET 1 1 19061 1 . THR 2 2 19061 1 . LYS 3 3 19061 1 . LEU 4 4 19061 1 . GLU 5 5 19061 1 . GLU 6 6 19061 1 . HIS 7 7 19061 1 . LEU 8 8 19061 1 . GLU 9 9 19061 1 . GLY 10 10 19061 1 . ILE 11 11 19061 1 . VAL 12 12 19061 1 . ASN 13 13 19061 1 . ILE 14 14 19061 1 . PHE 15 15 19061 1 . HIS 16 16 19061 1 . GLN 17 17 19061 1 . TYR 18 18 19061 1 . SER 19 19 19061 1 . SER 20 20 19061 1 . ARG 21 21 19061 1 . VAL 22 22 19061 1 . GLY 23 23 19061 1 . HIS 24 24 19061 1 . PHE 25 25 19061 1 . ASP 26 26 19061 1 . THR 27 27 19061 1 . LEU 28 28 19061 1 . SER 29 29 19061 1 . LYS 30 30 19061 1 . GLY 31 31 19061 1 . GLU 32 32 19061 1 . LEU 33 33 19061 1 . LYS 34 34 19061 1 . GLN 35 35 19061 1 . LEU 36 36 19061 1 . LEU 37 37 19061 1 . THR 38 38 19061 1 . LYS 39 39 19061 1 . GLU 40 40 19061 1 . LEU 41 41 19061 1 . ALA 42 42 19061 1 . ASN 43 43 19061 1 . THR 44 44 19061 1 . ILE 45 45 19061 1 . LYS 46 46 19061 1 . ASN 47 47 19061 1 . ILE 48 48 19061 1 . LYS 49 49 19061 1 . ASP 50 50 19061 1 . LYS 51 51 19061 1 . ALA 52 52 19061 1 . VAL 53 53 19061 1 . ILE 54 54 19061 1 . ASP 55 55 19061 1 . GLU 56 56 19061 1 . ILE 57 57 19061 1 . PHE 58 58 19061 1 . GLN 59 59 19061 1 . GLY 60 60 19061 1 . LEU 61 61 19061 1 . ASP 62 62 19061 1 . ALA 63 63 19061 1 . ASN 64 64 19061 1 . GLN 65 65 19061 1 . ASP 66 66 19061 1 . GLU 67 67 19061 1 . GLN 68 68 19061 1 . VAL 69 69 19061 1 . THR 70 70 19061 1 . PHE 71 71 19061 1 . GLN 72 72 19061 1 . GLU 73 73 19061 1 . PHE 74 74 19061 1 . ILE 75 75 19061 1 . SER 76 76 19061 1 . LEU 77 77 19061 1 . VAL 78 78 19061 1 . ALA 79 79 19061 1 . ILE 80 80 19061 1 . ALA 81 81 19061 1 . LEU 82 82 19061 1 . LYS 83 83 19061 1 . ALA 84 84 19061 1 . ALA 85 85 19061 1 . HIS 86 86 19061 1 . TYR 87 87 19061 1 . HIS 88 88 19061 1 . THR 89 89 19061 1 . HIS 90 90 19061 1 . LYS 91 91 19061 1 . GLU 92 92 19061 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 19061 _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 $S100A15 . 9606 plasmid . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19061 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 19061 _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 $S100A15 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Codon Plus' . . . . . pET(15b) . . . 19061 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19061 _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 S100A15 '[U-100% 13C; U-100% 15N]' . . 1 $S100A15 . . 1.0 . . mM . . . . 19061 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 19061 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19061 1 4 'Calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 19061 1 5 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 19061 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19061 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19061 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 19061 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 19061 1 pH 6.2 . pH 19061 1 pressure 1 . atm 19061 1 temperature 298 . K 19061 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 19061 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19061 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19061 1 processing 19061 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19061 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19061 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19061 2 'data analysis' 19061 2 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 19061 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMR _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19061 _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 Varian VNMR . 700 . . . 19061 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 19061 _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 . . . . . . . . . . . . . . . . 19061 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19061 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19061 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19061 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19061 1 6 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19061 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19061 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19061 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19061 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 19061 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19061 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19061 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19061 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19061 _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' . . . 19061 1 2 '3D HNCA' . . . 19061 1 3 '3D HN(CO)CA' . . . 19061 1 4 '3D CBCA(CO)NH' . . . 19061 1 5 '3D HNCACB' . . . 19061 1 6 '3D HCCH-COSY' . . . 19061 1 7 '3D HBHA(CO)NH' . . . 19061 1 8 '3D HNCO' . . . 19061 1 9 '3D HCCH-TOCSY' . . . 19061 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 MET HA H 1 4.221 0.000 . . . . . . 1 MET HA . 19061 1 2 . 1 1 1 1 MET HB2 H 1 2.298 0.000 . . . . . . 1 MET HB2 . 19061 1 3 . 1 1 1 1 MET HG2 H 1 2.628 0.000 . . . . . . 1 MET HG2 . 19061 1 4 . 1 1 1 1 MET C C 13 172.853 0.000 . . . . . . 1 MET C . 19061 1 5 . 1 1 1 1 MET CA C 13 55.323 0.000 . . . . . . 1 MET CA . 19061 1 6 . 1 1 1 1 MET CB C 13 33.633 0.000 . . . . . . 1 MET CB . 19061 1 7 . 1 1 1 1 MET CG C 13 30.880 0.000 . . . . . . 1 MET CG . 19061 1 8 . 1 1 2 2 THR H H 1 9.313 0.000 . . . . . . 2 THR H . 19061 1 9 . 1 1 2 2 THR HA H 1 4.595 0.000 . . . . . . 2 THR HA . 19061 1 10 . 1 1 2 2 THR HB H 1 4.601 0.000 . . . . . . 2 THR HB . 19061 1 11 . 1 1 2 2 THR HG1 H 1 5.005 0.000 . . . . . . 2 THR HG1 . 19061 1 12 . 1 1 2 2 THR HG21 H 1 1.360 0.000 . . . . . . 2 THR HG2 . 19061 1 13 . 1 1 2 2 THR HG22 H 1 1.360 0.000 . . . . . . 2 THR HG2 . 19061 1 14 . 1 1 2 2 THR HG23 H 1 1.360 0.000 . . . . . . 2 THR HG2 . 19061 1 15 . 1 1 2 2 THR C C 13 174.796 0.000 . . . . . . 2 THR C . 19061 1 16 . 1 1 2 2 THR CA C 13 61.611 0.000 . . . . . . 2 THR CA . 19061 1 17 . 1 1 2 2 THR CB C 13 70.332 0.000 . . . . . . 2 THR CB . 19061 1 18 . 1 1 2 2 THR CG2 C 13 20.922 0.000 . . . . . . 2 THR CG2 . 19061 1 19 . 1 1 2 2 THR N N 15 115.568 0.000 . . . . . . 2 THR N . 19061 1 20 . 1 1 3 3 LYS H H 1 9.256 0.000 . . . . . . 3 LYS H . 19061 1 21 . 1 1 3 3 LYS HA H 1 3.975 0.000 . . . . . . 3 LYS HA . 19061 1 22 . 1 1 3 3 LYS HB2 H 1 2.210 0.000 . . . . . . 3 LYS HB2 . 19061 1 23 . 1 1 3 3 LYS HB3 H 1 2.152 0.000 . . . . . . 3 LYS HB3 . 19061 1 24 . 1 1 3 3 LYS CA C 13 58.632 0.000 . . . . . . 3 LYS CA . 19061 1 25 . 1 1 3 3 LYS CB C 13 31.659 0.000 . . . . . . 3 LYS CB . 19061 1 26 . 1 1 3 3 LYS N N 15 119.736 0.000 . . . . . . 3 LYS N . 19061 1 27 . 1 1 4 4 LEU HA H 1 4.193 0.000 . . . . . . 4 LEU HA . 19061 1 28 . 1 1 4 4 LEU HB2 H 1 2.313 0.000 . . . . . . 4 LEU HB2 . 19061 1 29 . 1 1 4 4 LEU HB3 H 1 1.846 0.000 . . . . . . 4 LEU HB3 . 19061 1 30 . 1 1 4 4 LEU HG H 1 1.185 0.000 . . . . . . 4 LEU HG . 19061 1 31 . 1 1 4 4 LEU HD11 H 1 0.941 0.000 . . . . . . 4 LEU HD1 . 19061 1 32 . 1 1 4 4 LEU HD12 H 1 0.941 0.000 . . . . . . 4 LEU HD1 . 19061 1 33 . 1 1 4 4 LEU HD13 H 1 0.941 0.000 . . . . . . 4 LEU HD1 . 19061 1 34 . 1 1 4 4 LEU C C 13 179.089 0.000 . . . . . . 4 LEU C . 19061 1 35 . 1 1 4 4 LEU CA C 13 58.901 0.000 . . . . . . 4 LEU CA . 19061 1 36 . 1 1 4 4 LEU CB C 13 42.041 0.000 . . . . . . 4 LEU CB . 19061 1 37 . 1 1 4 4 LEU CG C 13 27.148 0.000 . . . . . . 4 LEU CG . 19061 1 38 . 1 1 4 4 LEU CD1 C 13 25.935 0.000 . . . . . . 4 LEU CD1 . 19061 1 39 . 1 1 5 5 GLU H H 1 8.114 0.000 . . . . . . 5 GLU H . 19061 1 40 . 1 1 5 5 GLU HA H 1 3.704 0.000 . . . . . . 5 GLU HA . 19061 1 41 . 1 1 5 5 GLU HB2 H 1 2.273 0.000 . . . . . . 5 GLU HB2 . 19061 1 42 . 1 1 5 5 GLU HB3 H 1 2.083 0.000 . . . . . . 5 GLU HB3 . 19061 1 43 . 1 1 5 5 GLU HG2 H 1 2.343 0.000 . . . . . . 5 GLU HG2 . 19061 1 44 . 1 1 5 5 GLU HG3 H 1 2.309 0.000 . . . . . . 5 GLU HG3 . 19061 1 45 . 1 1 5 5 GLU C C 13 178.953 0.000 . . . . . . 5 GLU C . 19061 1 46 . 1 1 5 5 GLU CA C 13 60.002 0.000 . . . . . . 5 GLU CA . 19061 1 47 . 1 1 5 5 GLU CB C 13 29.239 0.000 . . . . . . 5 GLU CB . 19061 1 48 . 1 1 5 5 GLU CG C 13 36.303 0.000 . . . . . . 5 GLU CG . 19061 1 49 . 1 1 5 5 GLU N N 15 117.369 0.000 . . . . . . 5 GLU N . 19061 1 50 . 1 1 6 6 GLU H H 1 8.465 0.000 . . . . . . 6 GLU H . 19061 1 51 . 1 1 6 6 GLU HA H 1 4.094 0.000 . . . . . . 6 GLU HA . 19061 1 52 . 1 1 6 6 GLU HB2 H 1 2.241 0.000 . . . . . . 6 GLU HB2 . 19061 1 53 . 1 1 6 6 GLU HB3 H 1 2.087 0.000 . . . . . . 6 GLU HB3 . 19061 1 54 . 1 1 6 6 GLU HG2 H 1 2.410 0.000 . . . . . . 6 GLU HG2 . 19061 1 55 . 1 1 6 6 GLU HG3 H 1 2.408 0.000 . . . . . . 6 GLU HG3 . 19061 1 56 . 1 1 6 6 GLU C C 13 180.491 0.000 . . . . . . 6 GLU C . 19061 1 57 . 1 1 6 6 GLU CA C 13 59.719 0.000 . . . . . . 6 GLU CA . 19061 1 58 . 1 1 6 6 GLU CB C 13 29.492 0.000 . . . . . . 6 GLU CB . 19061 1 59 . 1 1 6 6 GLU CG C 13 37.078 0.000 . . . . . . 6 GLU CG . 19061 1 60 . 1 1 6 6 GLU N N 15 119.692 0.000 . . . . . . 6 GLU N . 19061 1 61 . 1 1 7 7 HIS H H 1 7.852 0.000 . . . . . . 7 HIS H . 19061 1 62 . 1 1 7 7 HIS HA H 1 4.744 0.000 . . . . . . 7 HIS HA . 19061 1 63 . 1 1 7 7 HIS HB2 H 1 3.415 0.000 . . . . . . 7 HIS HB2 . 19061 1 64 . 1 1 7 7 HIS HB3 H 1 3.384 0.000 . . . . . . 7 HIS HB3 . 19061 1 65 . 1 1 7 7 HIS C C 13 177.305 0.000 . . . . . . 7 HIS C . 19061 1 66 . 1 1 7 7 HIS CA C 13 59.661 0.000 . . . . . . 7 HIS CA . 19061 1 67 . 1 1 7 7 HIS CB C 13 30.092 0.000 . . . . . . 7 HIS CB . 19061 1 68 . 1 1 7 7 HIS N N 15 117.968 0.000 . . . . . . 7 HIS N . 19061 1 69 . 1 1 8 8 LEU H H 1 8.240 0.000 . . . . . . 8 LEU H . 19061 1 70 . 1 1 8 8 LEU HA H 1 4.019 0.000 . . . . . . 8 LEU HA . 19061 1 71 . 1 1 8 8 LEU HB2 H 1 1.234 0.000 . . . . . . 8 LEU HB2 . 19061 1 72 . 1 1 8 8 LEU HD11 H 1 0.789 0.000 . . . . . . 8 LEU HD1 . 19061 1 73 . 1 1 8 8 LEU HD12 H 1 0.789 0.000 . . . . . . 8 LEU HD1 . 19061 1 74 . 1 1 8 8 LEU HD13 H 1 0.789 0.000 . . . . . . 8 LEU HD1 . 19061 1 75 . 1 1 8 8 LEU HD21 H 1 0.766 0.000 . . . . . . 8 LEU HD2 . 19061 1 76 . 1 1 8 8 LEU HD22 H 1 0.766 0.000 . . . . . . 8 LEU HD2 . 19061 1 77 . 1 1 8 8 LEU HD23 H 1 0.766 0.000 . . . . . . 8 LEU HD2 . 19061 1 78 . 1 1 8 8 LEU C C 13 178.381 0.000 . . . . . . 8 LEU C . 19061 1 79 . 1 1 8 8 LEU CA C 13 58.440 0.000 . . . . . . 8 LEU CA . 19061 1 80 . 1 1 8 8 LEU CB C 13 40.868 0.000 . . . . . . 8 LEU CB . 19061 1 81 . 1 1 8 8 LEU N N 15 117.629 0.000 . . . . . . 8 LEU N . 19061 1 82 . 1 1 9 9 GLU H H 1 8.509 0.000 . . . . . . 9 GLU H . 19061 1 83 . 1 1 9 9 GLU HA H 1 3.862 0.000 . . . . . . 9 GLU HA . 19061 1 84 . 1 1 9 9 GLU HB2 H 1 2.062 0.000 . . . . . . 9 GLU HB2 . 19061 1 85 . 1 1 9 9 GLU HB3 H 1 2.055 0.000 . . . . . . 9 GLU HB3 . 19061 1 86 . 1 1 9 9 GLU HG2 H 1 2.361 0.000 . . . . . . 9 GLU HG2 . 19061 1 87 . 1 1 9 9 GLU HG3 H 1 2.312 0.000 . . . . . . 9 GLU HG3 . 19061 1 88 . 1 1 9 9 GLU C C 13 178.560 0.000 . . . . . . 9 GLU C . 19061 1 89 . 1 1 9 9 GLU CA C 13 59.123 0.000 . . . . . . 9 GLU CA . 19061 1 90 . 1 1 9 9 GLU CB C 13 28.723 0.000 . . . . . . 9 GLU CB . 19061 1 91 . 1 1 9 9 GLU CG C 13 36.375 0.000 . . . . . . 9 GLU CG . 19061 1 92 . 1 1 9 9 GLU N N 15 117.509 0.000 . . . . . . 9 GLU N . 19061 1 93 . 1 1 10 10 GLY H H 1 7.939 0.000 . . . . . . 10 GLY H . 19061 1 94 . 1 1 10 10 GLY HA2 H 1 3.844 0.000 . . . . . . 10 GLY HA2 . 19061 1 95 . 1 1 10 10 GLY C C 13 175.737 0.000 . . . . . . 10 GLY C . 19061 1 96 . 1 1 10 10 GLY CA C 13 47.009 0.000 . . . . . . 10 GLY CA . 19061 1 97 . 1 1 10 10 GLY N N 15 105.657 0.000 . . . . . . 10 GLY N . 19061 1 98 . 1 1 11 11 ILE H H 1 7.559 0.000 . . . . . . 11 ILE H . 19061 1 99 . 1 1 11 11 ILE HA H 1 3.675 0.000 . . . . . . 11 ILE HA . 19061 1 100 . 1 1 11 11 ILE HB H 1 2.218 0.000 . . . . . . 11 ILE HB . 19061 1 101 . 1 1 11 11 ILE HG12 H 1 1.081 0.000 . . . . . . 11 ILE HG12 . 19061 1 102 . 1 1 11 11 ILE HG13 H 1 1.041 0.000 . . . . . . 11 ILE HG13 . 19061 1 103 . 1 1 11 11 ILE HG21 H 1 0.847 0.000 . . . . . . 11 ILE HG2 . 19061 1 104 . 1 1 11 11 ILE HG22 H 1 0.847 0.000 . . . . . . 11 ILE HG2 . 19061 1 105 . 1 1 11 11 ILE HG23 H 1 0.847 0.000 . . . . . . 11 ILE HG2 . 19061 1 106 . 1 1 11 11 ILE HD11 H 1 0.777 0.000 . . . . . . 11 ILE HD1 . 19061 1 107 . 1 1 11 11 ILE HD12 H 1 0.777 0.000 . . . . . . 11 ILE HD1 . 19061 1 108 . 1 1 11 11 ILE HD13 H 1 0.777 0.000 . . . . . . 11 ILE HD1 . 19061 1 109 . 1 1 11 11 ILE C C 13 177.279 0.000 . . . . . . 11 ILE C . 19061 1 110 . 1 1 11 11 ILE CA C 13 66.507 0.000 . . . . . . 11 ILE CA . 19061 1 111 . 1 1 11 11 ILE CB C 13 37.512 0.000 . . . . . . 11 ILE CB . 19061 1 112 . 1 1 11 11 ILE N N 15 120.686 0.000 . . . . . . 11 ILE N . 19061 1 113 . 1 1 12 12 VAL H H 1 7.704 0.000 . . . . . . 12 VAL H . 19061 1 114 . 1 1 12 12 VAL HA H 1 3.541 0.000 . . . . . . 12 VAL HA . 19061 1 115 . 1 1 12 12 VAL HB H 1 2.310 0.000 . . . . . . 12 VAL HB . 19061 1 116 . 1 1 12 12 VAL HG11 H 1 0.997 0.000 . . . . . . 12 VAL HG1 . 19061 1 117 . 1 1 12 12 VAL HG12 H 1 0.997 0.000 . . . . . . 12 VAL HG1 . 19061 1 118 . 1 1 12 12 VAL HG13 H 1 0.997 0.000 . . . . . . 12 VAL HG1 . 19061 1 119 . 1 1 12 12 VAL HG21 H 1 0.833 0.000 . . . . . . 12 VAL HG2 . 19061 1 120 . 1 1 12 12 VAL HG22 H 1 0.833 0.000 . . . . . . 12 VAL HG2 . 19061 1 121 . 1 1 12 12 VAL HG23 H 1 0.833 0.000 . . . . . . 12 VAL HG2 . 19061 1 122 . 1 1 12 12 VAL C C 13 178.118 0.000 . . . . . . 12 VAL C . 19061 1 123 . 1 1 12 12 VAL CA C 13 67.413 0.000 . . . . . . 12 VAL CA . 19061 1 124 . 1 1 12 12 VAL CB C 13 31.576 0.000 . . . . . . 12 VAL CB . 19061 1 125 . 1 1 12 12 VAL CG1 C 13 23.221 0.000 . . . . . . 12 VAL CG1 . 19061 1 126 . 1 1 12 12 VAL CG2 C 13 22.274 0.000 . . . . . . 12 VAL CG2 . 19061 1 127 . 1 1 12 12 VAL N N 15 119.026 0.000 . . . . . . 12 VAL N . 19061 1 128 . 1 1 13 13 ASN H H 1 8.815 0.000 . . . . . . 13 ASN H . 19061 1 129 . 1 1 13 13 ASN HA H 1 4.624 0.000 . . . . . . 13 ASN HA . 19061 1 130 . 1 1 13 13 ASN HB2 H 1 3.043 0.000 . . . . . . 13 ASN HB2 . 19061 1 131 . 1 1 13 13 ASN HB3 H 1 3.004 0.000 . . . . . . 13 ASN HB3 . 19061 1 132 . 1 1 13 13 ASN C C 13 178.668 0.000 . . . . . . 13 ASN C . 19061 1 133 . 1 1 13 13 ASN CA C 13 56.403 0.000 . . . . . . 13 ASN CA . 19061 1 134 . 1 1 13 13 ASN CB C 13 38.103 0.000 . . . . . . 13 ASN CB . 19061 1 135 . 1 1 13 13 ASN N N 15 117.428 0.000 . . . . . . 13 ASN N . 19061 1 136 . 1 1 14 14 ILE H H 1 8.300 0.000 . . . . . . 14 ILE H . 19061 1 137 . 1 1 14 14 ILE CA C 13 65.156 0.000 . . . . . . 14 ILE CA . 19061 1 138 . 1 1 14 14 ILE CB C 13 37.631 0.000 . . . . . . 14 ILE CB . 19061 1 139 . 1 1 14 14 ILE N N 15 121.536 0.000 . . . . . . 14 ILE N . 19061 1 140 . 1 1 17 17 GLN H H 1 8.248 0.000 . . . . . . 17 GLN H . 19061 1 141 . 1 1 17 17 GLN N N 15 118.377 0.000 . . . . . . 17 GLN N . 19061 1 142 . 1 1 18 18 TYR H H 1 7.246 0.000 . . . . . . 18 TYR H . 19061 1 143 . 1 1 18 18 TYR N N 15 113.012 0.000 . . . . . . 18 TYR N . 19061 1 144 . 1 1 24 24 HIS HA H 1 4.783 0.000 . . . . . . 24 HIS HA . 19061 1 145 . 1 1 24 24 HIS HB2 H 1 3.430 0.000 . . . . . . 24 HIS HB2 . 19061 1 146 . 1 1 24 24 HIS HB3 H 1 3.392 0.000 . . . . . . 24 HIS HB3 . 19061 1 147 . 1 1 24 24 HIS C C 13 176.172 0.000 . . . . . . 24 HIS C . 19061 1 148 . 1 1 24 24 HIS CA C 13 57.708 0.000 . . . . . . 24 HIS CA . 19061 1 149 . 1 1 24 24 HIS CB C 13 28.819 0.000 . . . . . . 24 HIS CB . 19061 1 150 . 1 1 25 25 PHE H H 1 8.251 0.000 . . . . . . 25 PHE H . 19061 1 151 . 1 1 25 25 PHE CA C 13 58.581 0.000 . . . . . . 25 PHE CA . 19061 1 152 . 1 1 25 25 PHE CB C 13 40.925 0.000 . . . . . . 25 PHE CB . 19061 1 153 . 1 1 25 25 PHE N N 15 118.374 0.000 . . . . . . 25 PHE N . 19061 1 154 . 1 1 29 29 SER HA H 1 4.774 0.000 . . . . . . 29 SER HA . 19061 1 155 . 1 1 29 29 SER HB2 H 1 4.450 0.000 . . . . . . 29 SER HB2 . 19061 1 156 . 1 1 29 29 SER HB3 H 1 4.383 0.000 . . . . . . 29 SER HB3 . 19061 1 157 . 1 1 29 29 SER C C 13 174.596 0.000 . . . . . . 29 SER C . 19061 1 158 . 1 1 29 29 SER CA C 13 57.152 0.000 . . . . . . 29 SER CA . 19061 1 159 . 1 1 29 29 SER CB C 13 65.293 0.000 . . . . . . 29 SER CB . 19061 1 160 . 1 1 30 30 LYS H H 1 9.118 0.000 . . . . . . 30 LYS H . 19061 1 161 . 1 1 30 30 LYS HA H 1 3.467 0.000 . . . . . . 30 LYS HA . 19061 1 162 . 1 1 30 30 LYS HB2 H 1 1.360 0.000 . . . . . . 30 LYS HB2 . 19061 1 163 . 1 1 30 30 LYS HB3 H 1 1.347 0.000 . . . . . . 30 LYS HB3 . 19061 1 164 . 1 1 30 30 LYS HG2 H 1 0.636 0.000 . . . . . . 30 LYS HG2 . 19061 1 165 . 1 1 30 30 LYS HG3 H 1 0.579 0.000 . . . . . . 30 LYS HG3 . 19061 1 166 . 1 1 30 30 LYS HD2 H 1 0.938 0.000 . . . . . . 30 LYS HD2 . 19061 1 167 . 1 1 30 30 LYS HE2 H 1 2.572 0.000 . . . . . . 30 LYS HE2 . 19061 1 168 . 1 1 30 30 LYS C C 13 178.511 0.000 . . . . . . 30 LYS C . 19061 1 169 . 1 1 30 30 LYS CA C 13 61.548 0.000 . . . . . . 30 LYS CA . 19061 1 170 . 1 1 30 30 LYS CB C 13 31.019 0.000 . . . . . . 30 LYS CB . 19061 1 171 . 1 1 30 30 LYS CG C 13 24.883 0.000 . . . . . . 30 LYS CG . 19061 1 172 . 1 1 30 30 LYS CD C 13 29.076 0.000 . . . . . . 30 LYS CD . 19061 1 173 . 1 1 30 30 LYS CE C 13 41.860 0.000 . . . . . . 30 LYS CE . 19061 1 174 . 1 1 30 30 LYS N N 15 121.486 0.000 . . . . . . 30 LYS N . 19061 1 175 . 1 1 31 31 GLY H H 1 8.388 0.000 . . . . . . 31 GLY H . 19061 1 176 . 1 1 31 31 GLY HA2 H 1 3.865 0.000 . . . . . . 31 GLY HA2 . 19061 1 177 . 1 1 31 31 GLY C C 13 177.269 0.000 . . . . . . 31 GLY C . 19061 1 178 . 1 1 31 31 GLY CA C 13 47.204 0.000 . . . . . . 31 GLY CA . 19061 1 179 . 1 1 31 31 GLY N N 15 104.610 0.000 . . . . . . 31 GLY N . 19061 1 180 . 1 1 32 32 GLU H H 1 7.589 0.000 . . . . . . 32 GLU H . 19061 1 181 . 1 1 32 32 GLU HA H 1 4.272 0.000 . . . . . . 32 GLU HA . 19061 1 182 . 1 1 32 32 GLU HB2 H 1 2.198 0.000 . . . . . . 32 GLU HB2 . 19061 1 183 . 1 1 32 32 GLU HG2 H 1 2.406 0.000 . . . . . . 32 GLU HG2 . 19061 1 184 . 1 1 32 32 GLU HG3 H 1 2.385 0.000 . . . . . . 32 GLU HG3 . 19061 1 185 . 1 1 32 32 GLU C C 13 179.253 0.000 . . . . . . 32 GLU C . 19061 1 186 . 1 1 32 32 GLU CA C 13 59.265 0.000 . . . . . . 32 GLU CA . 19061 1 187 . 1 1 32 32 GLU CB C 13 31.268 0.000 . . . . . . 32 GLU CB . 19061 1 188 . 1 1 32 32 GLU CG C 13 35.375 0.000 . . . . . . 32 GLU CG . 19061 1 189 . 1 1 32 32 GLU N N 15 121.579 0.000 . . . . . . 32 GLU N . 19061 1 190 . 1 1 33 33 LEU H H 1 8.846 0.000 . . . . . . 33 LEU H . 19061 1 191 . 1 1 33 33 LEU HA H 1 4.071 0.000 . . . . . . 33 LEU HA . 19061 1 192 . 1 1 33 33 LEU HB2 H 1 1.606 0.000 . . . . . . 33 LEU HB2 . 19061 1 193 . 1 1 33 33 LEU HG H 1 1.496 0.000 . . . . . . 33 LEU HG . 19061 1 194 . 1 1 33 33 LEU HD11 H 1 0.823 0.000 . . . . . . 33 LEU HD1 . 19061 1 195 . 1 1 33 33 LEU HD12 H 1 0.823 0.000 . . . . . . 33 LEU HD1 . 19061 1 196 . 1 1 33 33 LEU HD13 H 1 0.823 0.000 . . . . . . 33 LEU HD1 . 19061 1 197 . 1 1 33 33 LEU C C 13 178.011 0.000 . . . . . . 33 LEU C . 19061 1 198 . 1 1 33 33 LEU CA C 13 57.892 0.000 . . . . . . 33 LEU CA . 19061 1 199 . 1 1 33 33 LEU CB C 13 41.047 0.000 . . . . . . 33 LEU CB . 19061 1 200 . 1 1 33 33 LEU N N 15 118.287 0.000 . . . . . . 33 LEU N . 19061 1 201 . 1 1 34 34 LYS H H 1 8.702 0.000 . . . . . . 34 LYS H . 19061 1 202 . 1 1 34 34 LYS HA H 1 3.795 0.000 . . . . . . 34 LYS HA . 19061 1 203 . 1 1 34 34 LYS HB2 H 1 2.121 0.000 . . . . . . 34 LYS HB2 . 19061 1 204 . 1 1 34 34 LYS HB3 H 1 1.899 0.000 . . . . . . 34 LYS HB3 . 19061 1 205 . 1 1 34 34 LYS HG2 H 1 1.445 0.000 . . . . . . 34 LYS HG2 . 19061 1 206 . 1 1 34 34 LYS HG3 H 1 1.377 0.000 . . . . . . 34 LYS HG3 . 19061 1 207 . 1 1 34 34 LYS HD2 H 1 1.685 0.000 . . . . . . 34 LYS HD2 . 19061 1 208 . 1 1 34 34 LYS HE2 H 1 3.019 0.000 . . . . . . 34 LYS HE2 . 19061 1 209 . 1 1 34 34 LYS C C 13 179.134 0.000 . . . . . . 34 LYS C . 19061 1 210 . 1 1 34 34 LYS CA C 13 60.926 0.000 . . . . . . 34 LYS CA . 19061 1 211 . 1 1 34 34 LYS CB C 13 32.065 0.000 . . . . . . 34 LYS CB . 19061 1 212 . 1 1 34 34 LYS CG C 13 25.091 0.000 . . . . . . 34 LYS CG . 19061 1 213 . 1 1 34 34 LYS CD C 13 29.288 0.000 . . . . . . 34 LYS CD . 19061 1 214 . 1 1 34 34 LYS CE C 13 42.198 0.000 . . . . . . 34 LYS CE . 19061 1 215 . 1 1 34 34 LYS N N 15 118.676 0.000 . . . . . . 34 LYS N . 19061 1 216 . 1 1 35 35 GLN H H 1 7.659 0.000 . . . . . . 35 GLN H . 19061 1 217 . 1 1 35 35 GLN HA H 1 4.003 0.000 . . . . . . 35 GLN HA . 19061 1 218 . 1 1 35 35 GLN HB2 H 1 2.390 0.000 . . . . . . 35 GLN HB2 . 19061 1 219 . 1 1 35 35 GLN HG2 H 1 2.702 0.000 . . . . . . 35 GLN HG2 . 19061 1 220 . 1 1 35 35 GLN HG3 H 1 2.569 0.000 . . . . . . 35 GLN HG3 . 19061 1 221 . 1 1 35 35 GLN C C 13 176.127 0.000 . . . . . . 35 GLN C . 19061 1 222 . 1 1 35 35 GLN CA C 13 59.485 0.000 . . . . . . 35 GLN CA . 19061 1 223 . 1 1 35 35 GLN CB C 13 28.371 0.000 . . . . . . 35 GLN CB . 19061 1 224 . 1 1 35 35 GLN CG C 13 34.042 0.000 . . . . . . 35 GLN CG . 19061 1 225 . 1 1 35 35 GLN N N 15 118.666 0.000 . . . . . . 35 GLN N . 19061 1 226 . 1 1 36 36 LEU H H 1 7.840 0.000 . . . . . . 36 LEU H . 19061 1 227 . 1 1 36 36 LEU HA H 1 2.766 0.000 . . . . . . 36 LEU HA . 19061 1 228 . 1 1 36 36 LEU HB2 H 1 1.549 0.000 . . . . . . 36 LEU HB2 . 19061 1 229 . 1 1 36 36 LEU HB3 H 1 1.087 0.000 . . . . . . 36 LEU HB3 . 19061 1 230 . 1 1 36 36 LEU HG H 1 0.715 0.000 . . . . . . 36 LEU HG . 19061 1 231 . 1 1 36 36 LEU HD11 H 1 0.709 0.000 . . . . . . 36 LEU HD1 . 19061 1 232 . 1 1 36 36 LEU HD12 H 1 0.709 0.000 . . . . . . 36 LEU HD1 . 19061 1 233 . 1 1 36 36 LEU HD13 H 1 0.709 0.000 . . . . . . 36 LEU HD1 . 19061 1 234 . 1 1 36 36 LEU HD21 H 1 0.646 0.000 . . . . . . 36 LEU HD2 . 19061 1 235 . 1 1 36 36 LEU HD22 H 1 0.646 0.000 . . . . . . 36 LEU HD2 . 19061 1 236 . 1 1 36 36 LEU HD23 H 1 0.646 0.000 . . . . . . 36 LEU HD2 . 19061 1 237 . 1 1 36 36 LEU C C 13 179.353 0.000 . . . . . . 36 LEU C . 19061 1 238 . 1 1 36 36 LEU CA C 13 59.708 0.000 . . . . . . 36 LEU CA . 19061 1 239 . 1 1 36 36 LEU CB C 13 41.941 0.000 . . . . . . 36 LEU CB . 19061 1 240 . 1 1 36 36 LEU CG C 13 27.232 0.000 . . . . . . 36 LEU CG . 19061 1 241 . 1 1 36 36 LEU CD1 C 13 24.809 0.000 . . . . . . 36 LEU CD1 . 19061 1 242 . 1 1 36 36 LEU CD2 C 13 24.146 0.000 . . . . . . 36 LEU CD2 . 19061 1 243 . 1 1 36 36 LEU N N 15 120.367 0.000 . . . . . . 36 LEU N . 19061 1 244 . 1 1 37 37 LEU H H 1 9.068 0.000 . . . . . . 37 LEU H . 19061 1 245 . 1 1 37 37 LEU HA H 1 3.681 0.000 . . . . . . 37 LEU HA . 19061 1 246 . 1 1 37 37 LEU HB2 H 1 1.900 0.000 . . . . . . 37 LEU HB2 . 19061 1 247 . 1 1 37 37 LEU HB3 H 1 1.321 0.000 . . . . . . 37 LEU HB3 . 19061 1 248 . 1 1 37 37 LEU HG H 1 1.286 0.000 . . . . . . 37 LEU HG . 19061 1 249 . 1 1 37 37 LEU HD11 H 1 0.850 0.000 . . . . . . 37 LEU HD1 . 19061 1 250 . 1 1 37 37 LEU HD12 H 1 0.850 0.000 . . . . . . 37 LEU HD1 . 19061 1 251 . 1 1 37 37 LEU HD13 H 1 0.850 0.000 . . . . . . 37 LEU HD1 . 19061 1 252 . 1 1 37 37 LEU HD21 H 1 0.844 0.000 . . . . . . 37 LEU HD2 . 19061 1 253 . 1 1 37 37 LEU HD22 H 1 0.844 0.000 . . . . . . 37 LEU HD2 . 19061 1 254 . 1 1 37 37 LEU HD23 H 1 0.844 0.000 . . . . . . 37 LEU HD2 . 19061 1 255 . 1 1 37 37 LEU C C 13 178.439 0.000 . . . . . . 37 LEU C . 19061 1 256 . 1 1 37 37 LEU CA C 13 58.885 0.000 . . . . . . 37 LEU CA . 19061 1 257 . 1 1 37 37 LEU CB C 13 42.346 0.000 . . . . . . 37 LEU CB . 19061 1 258 . 1 1 37 37 LEU CD1 C 13 24.397 0.000 . . . . . . 37 LEU CD1 . 19061 1 259 . 1 1 37 37 LEU CD2 C 13 24.375 0.000 . . . . . . 37 LEU CD2 . 19061 1 260 . 1 1 37 37 LEU N N 15 117.300 0.000 . . . . . . 37 LEU N . 19061 1 261 . 1 1 38 38 THR H H 1 7.858 0.000 . . . . . . 38 THR H . 19061 1 262 . 1 1 38 38 THR HA H 1 4.189 0.000 . . . . . . 38 THR HA . 19061 1 263 . 1 1 38 38 THR HB H 1 3.801 0.000 . . . . . . 38 THR HB . 19061 1 264 . 1 1 38 38 THR HG21 H 1 1.290 0.000 . . . . . . 38 THR HG2 . 19061 1 265 . 1 1 38 38 THR HG22 H 1 1.290 0.000 . . . . . . 38 THR HG2 . 19061 1 266 . 1 1 38 38 THR HG23 H 1 1.290 0.000 . . . . . . 38 THR HG2 . 19061 1 267 . 1 1 38 38 THR C C 13 176.075 0.000 . . . . . . 38 THR C . 19061 1 268 . 1 1 38 38 THR CA C 13 65.529 0.000 . . . . . . 38 THR CA . 19061 1 269 . 1 1 38 38 THR CB C 13 69.526 0.000 . . . . . . 38 THR CB . 19061 1 270 . 1 1 38 38 THR CG2 C 13 21.987 0.000 . . . . . . 38 THR CG2 . 19061 1 271 . 1 1 38 38 THR N N 15 107.261 0.000 . . . . . . 38 THR N . 19061 1 272 . 1 1 39 39 LYS H H 1 8.087 0.000 . . . . . . 39 LYS H . 19061 1 273 . 1 1 39 39 LYS HA H 1 4.430 0.000 . . . . . . 39 LYS HA . 19061 1 274 . 1 1 39 39 LYS HB2 H 1 2.213 0.000 . . . . . . 39 LYS HB2 . 19061 1 275 . 1 1 39 39 LYS HB3 H 1 2.004 0.000 . . . . . . 39 LYS HB3 . 19061 1 276 . 1 1 39 39 LYS HG2 H 1 1.604 0.000 . . . . . . 39 LYS HG2 . 19061 1 277 . 1 1 39 39 LYS HD2 H 1 1.813 0.000 . . . . . . 39 LYS HD2 . 19061 1 278 . 1 1 39 39 LYS HD3 H 1 1.691 0.000 . . . . . . 39 LYS HD3 . 19061 1 279 . 1 1 39 39 LYS HE2 H 1 3.114 0.000 . . . . . . 39 LYS HE2 . 19061 1 280 . 1 1 39 39 LYS HE3 H 1 3.098 0.000 . . . . . . 39 LYS HE3 . 19061 1 281 . 1 1 39 39 LYS C C 13 179.019 0.000 . . . . . . 39 LYS C . 19061 1 282 . 1 1 39 39 LYS CA C 13 57.537 0.000 . . . . . . 39 LYS CA . 19061 1 283 . 1 1 39 39 LYS CB C 13 33.452 0.000 . . . . . . 39 LYS CB . 19061 1 284 . 1 1 39 39 LYS CG C 13 25.286 0.000 . . . . . . 39 LYS CG . 19061 1 285 . 1 1 39 39 LYS CD C 13 28.473 0.000 . . . . . . 39 LYS CD . 19061 1 286 . 1 1 39 39 LYS CE C 13 42.340 0.000 . . . . . . 39 LYS CE . 19061 1 287 . 1 1 39 39 LYS N N 15 116.650 0.000 . . . . . . 39 LYS N . 19061 1 288 . 1 1 40 40 GLU H H 1 8.413 0.000 . . . . . . 40 GLU H . 19061 1 289 . 1 1 40 40 GLU HA H 1 5.033 0.000 . . . . . . 40 GLU HA . 19061 1 290 . 1 1 40 40 GLU HB2 H 1 2.522 0.000 . . . . . . 40 GLU HB2 . 19061 1 291 . 1 1 40 40 GLU HB3 H 1 2.502 0.000 . . . . . . 40 GLU HB3 . 19061 1 292 . 1 1 40 40 GLU HG2 H 1 2.201 0.000 . . . . . . 40 GLU HG2 . 19061 1 293 . 1 1 40 40 GLU HG3 H 1 1.899 0.000 . . . . . . 40 GLU HG3 . 19061 1 294 . 1 1 40 40 GLU C C 13 179.016 0.000 . . . . . . 40 GLU C . 19061 1 295 . 1 1 40 40 GLU CA C 13 56.549 0.000 . . . . . . 40 GLU CA . 19061 1 296 . 1 1 40 40 GLU CB C 13 30.941 0.000 . . . . . . 40 GLU CB . 19061 1 297 . 1 1 40 40 GLU N N 15 110.910 0.000 . . . . . . 40 GLU N . 19061 1 298 . 1 1 41 41 LEU H H 1 7.627 0.000 . . . . . . 41 LEU H . 19061 1 299 . 1 1 41 41 LEU HA H 1 5.246 0.000 . . . . . . 41 LEU HA . 19061 1 300 . 1 1 41 41 LEU HB2 H 1 1.917 0.000 . . . . . . 41 LEU HB2 . 19061 1 301 . 1 1 41 41 LEU HB3 H 1 1.786 0.000 . . . . . . 41 LEU HB3 . 19061 1 302 . 1 1 41 41 LEU HG H 1 1.483 0.000 . . . . . . 41 LEU HG . 19061 1 303 . 1 1 41 41 LEU HD11 H 1 0.897 0.000 . . . . . . 41 LEU HD1 . 19061 1 304 . 1 1 41 41 LEU HD12 H 1 0.897 0.000 . . . . . . 41 LEU HD1 . 19061 1 305 . 1 1 41 41 LEU HD13 H 1 0.897 0.000 . . . . . . 41 LEU HD1 . 19061 1 306 . 1 1 41 41 LEU HD21 H 1 0.757 0.000 . . . . . . 41 LEU HD2 . 19061 1 307 . 1 1 41 41 LEU HD22 H 1 0.757 0.000 . . . . . . 41 LEU HD2 . 19061 1 308 . 1 1 41 41 LEU HD23 H 1 0.757 0.000 . . . . . . 41 LEU HD2 . 19061 1 309 . 1 1 41 41 LEU C C 13 177.381 0.000 . . . . . . 41 LEU C . 19061 1 310 . 1 1 41 41 LEU CA C 13 53.847 0.000 . . . . . . 41 LEU CA . 19061 1 311 . 1 1 41 41 LEU CB C 13 42.559 0.000 . . . . . . 41 LEU CB . 19061 1 312 . 1 1 41 41 LEU CG C 13 26.901 0.000 . . . . . . 41 LEU CG . 19061 1 313 . 1 1 41 41 LEU CD1 C 13 23.753 0.000 . . . . . . 41 LEU CD1 . 19061 1 314 . 1 1 41 41 LEU CD2 C 13 26.139 0.000 . . . . . . 41 LEU CD2 . 19061 1 315 . 1 1 41 41 LEU N N 15 118.665 0.000 . . . . . . 41 LEU N . 19061 1 316 . 1 1 42 42 ALA H H 1 6.771 0.000 . . . . . . 42 ALA H . 19061 1 317 . 1 1 42 42 ALA HA H 1 4.040 0.000 . . . . . . 42 ALA HA . 19061 1 318 . 1 1 42 42 ALA HB1 H 1 1.474 0.000 . . . . . . 42 ALA HB . 19061 1 319 . 1 1 42 42 ALA HB2 H 1 1.474 0.000 . . . . . . 42 ALA HB . 19061 1 320 . 1 1 42 42 ALA HB3 H 1 1.474 0.000 . . . . . . 42 ALA HB . 19061 1 321 . 1 1 42 42 ALA C C 13 177.910 0.000 . . . . . . 42 ALA C . 19061 1 322 . 1 1 42 42 ALA CA C 13 55.130 0.000 . . . . . . 42 ALA CA . 19061 1 323 . 1 1 42 42 ALA CB C 13 19.676 0.000 . . . . . . 42 ALA CB . 19061 1 324 . 1 1 42 42 ALA N N 15 119.205 0.000 . . . . . . 42 ALA N . 19061 1 325 . 1 1 43 43 ASN H H 1 9.102 0.000 . . . . . . 43 ASN H . 19061 1 326 . 1 1 43 43 ASN HA H 1 4.885 0.000 . . . . . . 43 ASN HA . 19061 1 327 . 1 1 43 43 ASN HB2 H 1 3.055 0.000 . . . . . . 43 ASN HB2 . 19061 1 328 . 1 1 43 43 ASN HB3 H 1 2.790 0.000 . . . . . . 43 ASN HB3 . 19061 1 329 . 1 1 43 43 ASN C C 13 175.207 0.000 . . . . . . 43 ASN C . 19061 1 330 . 1 1 43 43 ASN CA C 13 53.332 0.000 . . . . . . 43 ASN CA . 19061 1 331 . 1 1 43 43 ASN CB C 13 39.165 0.000 . . . . . . 43 ASN CB . 19061 1 332 . 1 1 43 43 ASN N N 15 112.682 0.000 . . . . . . 43 ASN N . 19061 1 333 . 1 1 44 44 THR H H 1 7.753 0.000 . . . . . . 44 THR H . 19061 1 334 . 1 1 44 44 THR HA H 1 4.159 0.000 . . . . . . 44 THR HA . 19061 1 335 . 1 1 44 44 THR HB H 1 3.946 0.000 . . . . . . 44 THR HB . 19061 1 336 . 1 1 44 44 THR HG21 H 1 1.169 0.000 . . . . . . 44 THR HG2 . 19061 1 337 . 1 1 44 44 THR HG22 H 1 1.169 0.000 . . . . . . 44 THR HG2 . 19061 1 338 . 1 1 44 44 THR HG23 H 1 1.169 0.000 . . . . . . 44 THR HG2 . 19061 1 339 . 1 1 44 44 THR C C 13 173.289 0.000 . . . . . . 44 THR C . 19061 1 340 . 1 1 44 44 THR CA C 13 65.341 0.000 . . . . . . 44 THR CA . 19061 1 341 . 1 1 44 44 THR CB C 13 70.501 0.000 . . . . . . 44 THR CB . 19061 1 342 . 1 1 44 44 THR CG2 C 13 21.510 0.000 . . . . . . 44 THR CG2 . 19061 1 343 . 1 1 44 44 THR N N 15 114.982 0.000 . . . . . . 44 THR N . 19061 1 344 . 1 1 45 45 ILE H H 1 7.403 0.000 . . . . . . 45 ILE H . 19061 1 345 . 1 1 45 45 ILE HA H 1 4.223 0.000 . . . . . . 45 ILE HA . 19061 1 346 . 1 1 45 45 ILE HB H 1 1.702 0.000 . . . . . . 45 ILE HB . 19061 1 347 . 1 1 45 45 ILE HG12 H 1 1.353 0.000 . . . . . . 45 ILE HG12 . 19061 1 348 . 1 1 45 45 ILE HG13 H 1 1.186 0.000 . . . . . . 45 ILE HG13 . 19061 1 349 . 1 1 45 45 ILE HG21 H 1 0.811 0.000 . . . . . . 45 ILE HG2 . 19061 1 350 . 1 1 45 45 ILE HG22 H 1 0.811 0.000 . . . . . . 45 ILE HG2 . 19061 1 351 . 1 1 45 45 ILE HG23 H 1 0.811 0.000 . . . . . . 45 ILE HG2 . 19061 1 352 . 1 1 45 45 ILE HD11 H 1 0.701 0.000 . . . . . . 45 ILE HD1 . 19061 1 353 . 1 1 45 45 ILE HD12 H 1 0.701 0.000 . . . . . . 45 ILE HD1 . 19061 1 354 . 1 1 45 45 ILE HD13 H 1 0.701 0.000 . . . . . . 45 ILE HD1 . 19061 1 355 . 1 1 45 45 ILE C C 13 175.060 0.000 . . . . . . 45 ILE C . 19061 1 356 . 1 1 45 45 ILE CA C 13 59.469 0.000 . . . . . . 45 ILE CA . 19061 1 357 . 1 1 45 45 ILE CB C 13 37.904 0.000 . . . . . . 45 ILE CB . 19061 1 358 . 1 1 45 45 ILE CG1 C 13 27.137 0.000 . . . . . . 45 ILE CG1 . 19061 1 359 . 1 1 45 45 ILE CG2 C 13 17.291 0.000 . . . . . . 45 ILE CG2 . 19061 1 360 . 1 1 45 45 ILE CD1 C 13 11.950 0.000 . . . . . . 45 ILE CD1 . 19061 1 361 . 1 1 45 45 ILE N N 15 119.696 0.000 . . . . . . 45 ILE N . 19061 1 362 . 1 1 46 46 LYS H H 1 8.275 0.000 . . . . . . 46 LYS H . 19061 1 363 . 1 1 46 46 LYS HA H 1 4.126 0.000 . . . . . . 46 LYS HA . 19061 1 364 . 1 1 46 46 LYS HB2 H 1 1.921 0.000 . . . . . . 46 LYS HB2 . 19061 1 365 . 1 1 46 46 LYS HB3 H 1 1.756 0.000 . . . . . . 46 LYS HB3 . 19061 1 366 . 1 1 46 46 LYS HG2 H 1 1.450 0.000 . . . . . . 46 LYS HG2 . 19061 1 367 . 1 1 46 46 LYS HG3 H 1 1.362 0.000 . . . . . . 46 LYS HG3 . 19061 1 368 . 1 1 46 46 LYS HD2 H 1 1.660 0.000 . . . . . . 46 LYS HD2 . 19061 1 369 . 1 1 46 46 LYS HD3 H 1 1.608 0.000 . . . . . . 46 LYS HD3 . 19061 1 370 . 1 1 46 46 LYS HE2 H 1 2.963 0.000 . . . . . . 46 LYS HE2 . 19061 1 371 . 1 1 46 46 LYS HE3 H 1 2.866 0.000 . . . . . . 46 LYS HE3 . 19061 1 372 . 1 1 46 46 LYS C C 13 176.617 0.000 . . . . . . 46 LYS C . 19061 1 373 . 1 1 46 46 LYS CA C 13 57.392 0.000 . . . . . . 46 LYS CA . 19061 1 374 . 1 1 46 46 LYS CB C 13 32.929 0.000 . . . . . . 46 LYS CB . 19061 1 375 . 1 1 46 46 LYS CG C 13 24.671 0.000 . . . . . . 46 LYS CG . 19061 1 376 . 1 1 46 46 LYS CD C 13 29.003 0.000 . . . . . . 46 LYS CD . 19061 1 377 . 1 1 46 46 LYS CE C 13 42.171 0.000 . . . . . . 46 LYS CE . 19061 1 378 . 1 1 46 46 LYS N N 15 125.123 0.000 . . . . . . 46 LYS N . 19061 1 379 . 1 1 47 47 ASN H H 1 8.641 0.000 . . . . . . 47 ASN H . 19061 1 380 . 1 1 47 47 ASN HA H 1 4.569 0.000 . . . . . . 47 ASN HA . 19061 1 381 . 1 1 47 47 ASN HB2 H 1 3.152 0.000 . . . . . . 47 ASN HB2 . 19061 1 382 . 1 1 47 47 ASN HB3 H 1 2.883 0.000 . . . . . . 47 ASN HB3 . 19061 1 383 . 1 1 47 47 ASN C C 13 175.309 0.000 . . . . . . 47 ASN C . 19061 1 384 . 1 1 47 47 ASN CA C 13 54.192 0.000 . . . . . . 47 ASN CA . 19061 1 385 . 1 1 47 47 ASN CB C 13 37.212 0.000 . . . . . . 47 ASN CB . 19061 1 386 . 1 1 47 47 ASN N N 15 114.783 0.000 . . . . . . 47 ASN N . 19061 1 387 . 1 1 48 48 ILE H H 1 7.129 0.000 . . . . . . 48 ILE H . 19061 1 388 . 1 1 48 48 ILE HA H 1 3.886 0.000 . . . . . . 48 ILE HA . 19061 1 389 . 1 1 48 48 ILE HB H 1 1.903 0.000 . . . . . . 48 ILE HB . 19061 1 390 . 1 1 48 48 ILE HG12 H 1 1.353 0.000 . . . . . . 48 ILE HG12 . 19061 1 391 . 1 1 48 48 ILE HG13 H 1 1.150 0.000 . . . . . . 48 ILE HG13 . 19061 1 392 . 1 1 48 48 ILE HG21 H 1 0.849 0.000 . . . . . . 48 ILE HG2 . 19061 1 393 . 1 1 48 48 ILE HG22 H 1 0.849 0.000 . . . . . . 48 ILE HG2 . 19061 1 394 . 1 1 48 48 ILE HG23 H 1 0.849 0.000 . . . . . . 48 ILE HG2 . 19061 1 395 . 1 1 48 48 ILE HD11 H 1 0.779 0.000 . . . . . . 48 ILE HD1 . 19061 1 396 . 1 1 48 48 ILE HD12 H 1 0.779 0.000 . . . . . . 48 ILE HD1 . 19061 1 397 . 1 1 48 48 ILE HD13 H 1 0.779 0.000 . . . . . . 48 ILE HD1 . 19061 1 398 . 1 1 48 48 ILE C C 13 174.058 0.000 . . . . . . 48 ILE C . 19061 1 399 . 1 1 48 48 ILE CA C 13 61.267 0.000 . . . . . . 48 ILE CA . 19061 1 400 . 1 1 48 48 ILE CB C 13 38.431 0.000 . . . . . . 48 ILE CB . 19061 1 401 . 1 1 48 48 ILE CG1 C 13 28.258 0.000 . . . . . . 48 ILE CG1 . 19061 1 402 . 1 1 48 48 ILE CG2 C 13 17.108 0.000 . . . . . . 48 ILE CG2 . 19061 1 403 . 1 1 48 48 ILE CD1 C 13 13.350 0.000 . . . . . . 48 ILE CD1 . 19061 1 404 . 1 1 48 48 ILE N N 15 113.110 0.000 . . . . . . 48 ILE N . 19061 1 405 . 1 1 49 49 LYS H H 1 7.661 0.000 . . . . . . 49 LYS H . 19061 1 406 . 1 1 49 49 LYS HA H 1 4.169 0.000 . . . . . . 49 LYS HA . 19061 1 407 . 1 1 49 49 LYS HB2 H 1 1.828 0.000 . . . . . . 49 LYS HB2 . 19061 1 408 . 1 1 49 49 LYS HB3 H 1 1.792 0.000 . . . . . . 49 LYS HB3 . 19061 1 409 . 1 1 49 49 LYS HG2 H 1 1.456 0.000 . . . . . . 49 LYS HG2 . 19061 1 410 . 1 1 49 49 LYS HG3 H 1 1.445 0.000 . . . . . . 49 LYS HG3 . 19061 1 411 . 1 1 49 49 LYS HD2 H 1 1.696 0.000 . . . . . . 49 LYS HD2 . 19061 1 412 . 1 1 49 49 LYS HE2 H 1 3.029 0.000 . . . . . . 49 LYS HE2 . 19061 1 413 . 1 1 49 49 LYS HE3 H 1 3.019 0.000 . . . . . . 49 LYS HE3 . 19061 1 414 . 1 1 49 49 LYS C C 13 178.754 0.000 . . . . . . 49 LYS C . 19061 1 415 . 1 1 49 49 LYS CA C 13 56.879 0.000 . . . . . . 49 LYS CA . 19061 1 416 . 1 1 49 49 LYS CB C 13 32.346 0.000 . . . . . . 49 LYS CB . 19061 1 417 . 1 1 49 49 LYS CG C 13 24.741 0.000 . . . . . . 49 LYS CG . 19061 1 418 . 1 1 49 49 LYS CD C 13 29.313 0.000 . . . . . . 49 LYS CD . 19061 1 419 . 1 1 49 49 LYS CE C 13 42.313 0.000 . . . . . . 49 LYS CE . 19061 1 420 . 1 1 49 49 LYS N N 15 114.878 0.000 . . . . . . 49 LYS N . 19061 1 421 . 1 1 50 50 ASP H H 1 7.793 0.000 . . . . . . 50 ASP H . 19061 1 422 . 1 1 50 50 ASP HA H 1 4.580 0.000 . . . . . . 50 ASP HA . 19061 1 423 . 1 1 50 50 ASP HB2 H 1 2.960 0.000 . . . . . . 50 ASP HB2 . 19061 1 424 . 1 1 50 50 ASP HB3 H 1 2.704 0.000 . . . . . . 50 ASP HB3 . 19061 1 425 . 1 1 50 50 ASP C C 13 176.654 0.000 . . . . . . 50 ASP C . 19061 1 426 . 1 1 50 50 ASP CA C 13 54.005 0.000 . . . . . . 50 ASP CA . 19061 1 427 . 1 1 50 50 ASP CB C 13 41.687 0.000 . . . . . . 50 ASP CB . 19061 1 428 . 1 1 50 50 ASP N N 15 120.559 0.000 . . . . . . 50 ASP N . 19061 1 429 . 1 1 51 51 LYS H H 1 8.571 0.000 . . . . . . 51 LYS H . 19061 1 430 . 1 1 51 51 LYS HA H 1 3.902 0.000 . . . . . . 51 LYS HA . 19061 1 431 . 1 1 51 51 LYS HB2 H 1 1.903 0.000 . . . . . . 51 LYS HB2 . 19061 1 432 . 1 1 51 51 LYS HB3 H 1 1.818 0.000 . . . . . . 51 LYS HB3 . 19061 1 433 . 1 1 51 51 LYS HG2 H 1 1.459 0.000 . . . . . . 51 LYS HG2 . 19061 1 434 . 1 1 51 51 LYS HD2 H 1 1.686 0.000 . . . . . . 51 LYS HD2 . 19061 1 435 . 1 1 51 51 LYS HE2 H 1 2.996 0.000 . . . . . . 51 LYS HE2 . 19061 1 436 . 1 1 51 51 LYS C C 13 177.374 0.000 . . . . . . 51 LYS C . 19061 1 437 . 1 1 51 51 LYS CA C 13 59.619 0.000 . . . . . . 51 LYS CA . 19061 1 438 . 1 1 51 51 LYS CB C 13 32.576 0.000 . . . . . . 51 LYS CB . 19061 1 439 . 1 1 51 51 LYS CG C 13 24.697 0.000 . . . . . . 51 LYS CG . 19061 1 440 . 1 1 51 51 LYS CD C 13 29.291 0.000 . . . . . . 51 LYS CD . 19061 1 441 . 1 1 51 51 LYS CE C 13 42.213 0.000 . . . . . . 51 LYS CE . 19061 1 442 . 1 1 51 51 LYS N N 15 125.925 0.000 . . . . . . 51 LYS N . 19061 1 443 . 1 1 52 52 ALA H H 1 8.477 0.000 . . . . . . 52 ALA H . 19061 1 444 . 1 1 52 52 ALA HA H 1 4.217 0.000 . . . . . . 52 ALA HA . 19061 1 445 . 1 1 52 52 ALA HB1 H 1 1.454 0.000 . . . . . . 52 ALA HB . 19061 1 446 . 1 1 52 52 ALA HB2 H 1 1.454 0.000 . . . . . . 52 ALA HB . 19061 1 447 . 1 1 52 52 ALA HB3 H 1 1.454 0.000 . . . . . . 52 ALA HB . 19061 1 448 . 1 1 52 52 ALA C C 13 180.390 0.000 . . . . . . 52 ALA C . 19061 1 449 . 1 1 52 52 ALA CA C 13 54.768 0.000 . . . . . . 52 ALA CA . 19061 1 450 . 1 1 52 52 ALA CB C 13 18.640 0.000 . . . . . . 52 ALA CB . 19061 1 451 . 1 1 52 52 ALA N N 15 118.880 0.000 . . . . . . 52 ALA N . 19061 1 452 . 1 1 53 53 VAL H H 1 7.410 0.000 . . . . . . 53 VAL H . 19061 1 453 . 1 1 53 53 VAL HA H 1 3.726 0.000 . . . . . . 53 VAL HA . 19061 1 454 . 1 1 53 53 VAL HB H 1 2.362 0.000 . . . . . . 53 VAL HB . 19061 1 455 . 1 1 53 53 VAL HG11 H 1 1.055 0.000 . . . . . . 53 VAL HG1 . 19061 1 456 . 1 1 53 53 VAL HG12 H 1 1.055 0.000 . . . . . . 53 VAL HG1 . 19061 1 457 . 1 1 53 53 VAL HG13 H 1 1.055 0.000 . . . . . . 53 VAL HG1 . 19061 1 458 . 1 1 53 53 VAL HG21 H 1 0.866 0.000 . . . . . . 53 VAL HG2 . 19061 1 459 . 1 1 53 53 VAL HG22 H 1 0.866 0.000 . . . . . . 53 VAL HG2 . 19061 1 460 . 1 1 53 53 VAL HG23 H 1 0.866 0.000 . . . . . . 53 VAL HG2 . 19061 1 461 . 1 1 53 53 VAL C C 13 177.937 0.000 . . . . . . 53 VAL C . 19061 1 462 . 1 1 53 53 VAL CA C 13 65.925 0.000 . . . . . . 53 VAL CA . 19061 1 463 . 1 1 53 53 VAL CB C 13 31.678 0.000 . . . . . . 53 VAL CB . 19061 1 464 . 1 1 53 53 VAL CG1 C 13 23.180 0.000 . . . . . . 53 VAL CG1 . 19061 1 465 . 1 1 53 53 VAL CG2 C 13 21.033 0.000 . . . . . . 53 VAL CG2 . 19061 1 466 . 1 1 53 53 VAL N N 15 118.631 0.000 . . . . . . 53 VAL N . 19061 1 467 . 1 1 54 54 ILE H H 1 7.529 0.000 . . . . . . 54 ILE H . 19061 1 468 . 1 1 54 54 ILE HA H 1 3.556 0.000 . . . . . . 54 ILE HA . 19061 1 469 . 1 1 54 54 ILE HB H 1 2.046 0.000 . . . . . . 54 ILE HB . 19061 1 470 . 1 1 54 54 ILE HG12 H 1 1.585 0.000 . . . . . . 54 ILE HG12 . 19061 1 471 . 1 1 54 54 ILE HG13 H 1 1.300 0.000 . . . . . . 54 ILE HG13 . 19061 1 472 . 1 1 54 54 ILE HG21 H 1 0.847 0.000 . . . . . . 54 ILE HG2 . 19061 1 473 . 1 1 54 54 ILE HG22 H 1 0.847 0.000 . . . . . . 54 ILE HG2 . 19061 1 474 . 1 1 54 54 ILE HG23 H 1 0.847 0.000 . . . . . . 54 ILE HG2 . 19061 1 475 . 1 1 54 54 ILE HD11 H 1 0.845 0.000 . . . . . . 54 ILE HD1 . 19061 1 476 . 1 1 54 54 ILE HD12 H 1 0.845 0.000 . . . . . . 54 ILE HD1 . 19061 1 477 . 1 1 54 54 ILE HD13 H 1 0.845 0.000 . . . . . . 54 ILE HD1 . 19061 1 478 . 1 1 54 54 ILE C C 13 177.731 0.000 . . . . . . 54 ILE C . 19061 1 479 . 1 1 54 54 ILE CA C 13 64.208 0.000 . . . . . . 54 ILE CA . 19061 1 480 . 1 1 54 54 ILE CB C 13 36.598 0.000 . . . . . . 54 ILE CB . 19061 1 481 . 1 1 54 54 ILE CG1 C 13 28.698 0.000 . . . . . . 54 ILE CG1 . 19061 1 482 . 1 1 54 54 ILE CG2 C 13 17.339 0.000 . . . . . . 54 ILE CG2 . 19061 1 483 . 1 1 54 54 ILE CD1 C 13 12.495 0.000 . . . . . . 54 ILE CD1 . 19061 1 484 . 1 1 54 54 ILE N N 15 118.240 0.000 . . . . . . 54 ILE N . 19061 1 485 . 1 1 55 55 ASP H H 1 8.109 0.000 . . . . . . 55 ASP H . 19061 1 486 . 1 1 55 55 ASP HA H 1 4.319 0.000 . . . . . . 55 ASP HA . 19061 1 487 . 1 1 55 55 ASP HB2 H 1 2.729 0.000 . . . . . . 55 ASP HB2 . 19061 1 488 . 1 1 55 55 ASP HB3 H 1 2.670 0.000 . . . . . . 55 ASP HB3 . 19061 1 489 . 1 1 55 55 ASP C C 13 178.723 0.000 . . . . . . 55 ASP C . 19061 1 490 . 1 1 55 55 ASP CA C 13 58.115 0.000 . . . . . . 55 ASP CA . 19061 1 491 . 1 1 55 55 ASP CB C 13 40.212 0.000 . . . . . . 55 ASP CB . 19061 1 492 . 1 1 55 55 ASP N N 15 118.169 0.000 . . . . . . 55 ASP N . 19061 1 493 . 1 1 56 56 GLU H H 1 7.864 0.000 . . . . . . 56 GLU H . 19061 1 494 . 1 1 56 56 GLU HA H 1 4.098 0.000 . . . . . . 56 GLU HA . 19061 1 495 . 1 1 56 56 GLU HB2 H 1 2.197 0.000 . . . . . . 56 GLU HB2 . 19061 1 496 . 1 1 56 56 GLU HB3 H 1 2.130 0.000 . . . . . . 56 GLU HB3 . 19061 1 497 . 1 1 56 56 GLU HG2 H 1 2.452 0.000 . . . . . . 56 GLU HG2 . 19061 1 498 . 1 1 56 56 GLU HG3 H 1 2.358 0.000 . . . . . . 56 GLU HG3 . 19061 1 499 . 1 1 56 56 GLU C C 13 179.781 0.000 . . . . . . 56 GLU C . 19061 1 500 . 1 1 56 56 GLU CA C 13 59.312 0.000 . . . . . . 56 GLU CA . 19061 1 501 . 1 1 56 56 GLU CB C 13 29.171 0.000 . . . . . . 56 GLU CB . 19061 1 502 . 1 1 56 56 GLU CG C 13 35.066 0.000 . . . . . . 56 GLU CG . 19061 1 503 . 1 1 56 56 GLU N N 15 119.155 0.000 . . . . . . 56 GLU N . 19061 1 504 . 1 1 57 57 ILE H H 1 8.488 0.000 . . . . . . 57 ILE H . 19061 1 505 . 1 1 57 57 ILE HA H 1 3.711 0.000 . . . . . . 57 ILE HA . 19061 1 506 . 1 1 57 57 ILE HB H 1 1.890 0.000 . . . . . . 57 ILE HB . 19061 1 507 . 1 1 57 57 ILE C C 13 177.952 0.000 . . . . . . 57 ILE C . 19061 1 508 . 1 1 57 57 ILE CA C 13 65.333 0.000 . . . . . . 57 ILE CA . 19061 1 509 . 1 1 57 57 ILE CB C 13 37.786 0.000 . . . . . . 57 ILE CB . 19061 1 510 . 1 1 57 57 ILE N N 15 120.369 0.000 . . . . . . 57 ILE N . 19061 1 511 . 1 1 58 58 PHE H H 1 8.722 0.000 . . . . . . 58 PHE H . 19061 1 512 . 1 1 58 58 PHE HA H 1 3.697 0.000 . . . . . . 58 PHE HA . 19061 1 513 . 1 1 58 58 PHE HB2 H 1 3.225 0.000 . . . . . . 58 PHE HB2 . 19061 1 514 . 1 1 58 58 PHE HB3 H 1 3.075 0.000 . . . . . . 58 PHE HB3 . 19061 1 515 . 1 1 58 58 PHE C C 13 176.228 0.000 . . . . . . 58 PHE C . 19061 1 516 . 1 1 58 58 PHE CA C 13 63.351 0.000 . . . . . . 58 PHE CA . 19061 1 517 . 1 1 58 58 PHE CB C 13 39.526 0.000 . . . . . . 58 PHE CB . 19061 1 518 . 1 1 58 58 PHE N N 15 118.949 0.000 . . . . . . 58 PHE N . 19061 1 519 . 1 1 59 59 GLN H H 1 8.267 0.000 . . . . . . 59 GLN H . 19061 1 520 . 1 1 59 59 GLN HA H 1 3.971 0.000 . . . . . . 59 GLN HA . 19061 1 521 . 1 1 59 59 GLN HB2 H 1 2.196 0.000 . . . . . . 59 GLN HB2 . 19061 1 522 . 1 1 59 59 GLN HB3 H 1 2.179 0.000 . . . . . . 59 GLN HB3 . 19061 1 523 . 1 1 59 59 GLN HG2 H 1 2.574 0.000 . . . . . . 59 GLN HG2 . 19061 1 524 . 1 1 59 59 GLN HG3 H 1 2.505 0.000 . . . . . . 59 GLN HG3 . 19061 1 525 . 1 1 59 59 GLN C C 13 178.667 0.000 . . . . . . 59 GLN C . 19061 1 526 . 1 1 59 59 GLN CA C 13 58.700 0.000 . . . . . . 59 GLN CA . 19061 1 527 . 1 1 59 59 GLN CB C 13 28.682 0.000 . . . . . . 59 GLN CB . 19061 1 528 . 1 1 59 59 GLN CG C 13 34.142 0.000 . . . . . . 59 GLN CG . 19061 1 529 . 1 1 59 59 GLN N N 15 114.455 0.000 . . . . . . 59 GLN N . 19061 1 530 . 1 1 60 60 GLY H H 1 7.914 0.000 . . . . . . 60 GLY H . 19061 1 531 . 1 1 60 60 GLY HA2 H 1 3.765 0.000 . . . . . . 60 GLY HA2 . 19061 1 532 . 1 1 60 60 GLY HA3 H 1 3.727 0.000 . . . . . . 60 GLY HA3 . 19061 1 533 . 1 1 60 60 GLY C C 13 175.291 0.000 . . . . . . 60 GLY C . 19061 1 534 . 1 1 60 60 GLY CA C 13 46.384 0.000 . . . . . . 60 GLY CA . 19061 1 535 . 1 1 60 60 GLY N N 15 103.930 0.000 . . . . . . 60 GLY N . 19061 1 536 . 1 1 61 61 LEU H H 1 7.797 0.000 . . . . . . 61 LEU H . 19061 1 537 . 1 1 61 61 LEU HA H 1 4.294 0.000 . . . . . . 61 LEU HA . 19061 1 538 . 1 1 61 61 LEU HB2 H 1 1.662 0.000 . . . . . . 61 LEU HB2 . 19061 1 539 . 1 1 61 61 LEU HB3 H 1 1.146 0.000 . . . . . . 61 LEU HB3 . 19061 1 540 . 1 1 61 61 LEU HG H 1 2.029 0.000 . . . . . . 61 LEU HG . 19061 1 541 . 1 1 61 61 LEU HD11 H 1 0.820 0.000 . . . . . . 61 LEU HD1 . 19061 1 542 . 1 1 61 61 LEU HD12 H 1 0.820 0.000 . . . . . . 61 LEU HD1 . 19061 1 543 . 1 1 61 61 LEU HD13 H 1 0.820 0.000 . . . . . . 61 LEU HD1 . 19061 1 544 . 1 1 61 61 LEU HD21 H 1 0.758 0.000 . . . . . . 61 LEU HD2 . 19061 1 545 . 1 1 61 61 LEU HD22 H 1 0.758 0.000 . . . . . . 61 LEU HD2 . 19061 1 546 . 1 1 61 61 LEU HD23 H 1 0.758 0.000 . . . . . . 61 LEU HD2 . 19061 1 547 . 1 1 61 61 LEU C C 13 178.988 0.000 . . . . . . 61 LEU C . 19061 1 548 . 1 1 61 61 LEU CA C 13 55.469 0.000 . . . . . . 61 LEU CA . 19061 1 549 . 1 1 61 61 LEU CB C 13 44.112 0.000 . . . . . . 61 LEU CB . 19061 1 550 . 1 1 61 61 LEU CG C 13 26.300 0.000 . . . . . . 61 LEU CG . 19061 1 551 . 1 1 61 61 LEU CD2 C 13 22.961 0.000 . . . . . . 61 LEU CD2 . 19061 1 552 . 1 1 61 61 LEU N N 15 117.290 0.000 . . . . . . 61 LEU N . 19061 1 553 . 1 1 62 62 ASP H H 1 7.568 0.000 . . . . . . 62 ASP H . 19061 1 554 . 1 1 62 62 ASP HA H 1 4.549 0.000 . . . . . . 62 ASP HA . 19061 1 555 . 1 1 62 62 ASP HB2 H 1 2.437 0.000 . . . . . . 62 ASP HB2 . 19061 1 556 . 1 1 62 62 ASP HB3 H 1 1.541 0.000 . . . . . . 62 ASP HB3 . 19061 1 557 . 1 1 62 62 ASP C C 13 176.856 0.000 . . . . . . 62 ASP C . 19061 1 558 . 1 1 62 62 ASP CA C 13 53.141 0.000 . . . . . . 62 ASP CA . 19061 1 559 . 1 1 62 62 ASP CB C 13 38.278 0.000 . . . . . . 62 ASP CB . 19061 1 560 . 1 1 62 62 ASP N N 15 116.397 0.000 . . . . . . 62 ASP N . 19061 1 561 . 1 1 63 63 ALA H H 1 8.114 0.000 . . . . . . 63 ALA H . 19061 1 562 . 1 1 63 63 ALA HA H 1 4.123 0.000 . . . . . . 63 ALA HA . 19061 1 563 . 1 1 63 63 ALA HB1 H 1 1.490 0.000 . . . . . . 63 ALA HB . 19061 1 564 . 1 1 63 63 ALA HB2 H 1 1.490 0.000 . . . . . . 63 ALA HB . 19061 1 565 . 1 1 63 63 ALA HB3 H 1 1.490 0.000 . . . . . . 63 ALA HB . 19061 1 566 . 1 1 63 63 ALA C C 13 178.557 0.000 . . . . . . 63 ALA C . 19061 1 567 . 1 1 63 63 ALA CA C 13 54.598 0.000 . . . . . . 63 ALA CA . 19061 1 568 . 1 1 63 63 ALA CB C 13 19.199 0.000 . . . . . . 63 ALA CB . 19061 1 569 . 1 1 63 63 ALA N N 15 129.815 0.000 . . . . . . 63 ALA N . 19061 1 570 . 1 1 64 64 ASN H H 1 7.819 0.000 . . . . . . 64 ASN H . 19061 1 571 . 1 1 64 64 ASN HA H 1 4.761 0.000 . . . . . . 64 ASN HA . 19061 1 572 . 1 1 64 64 ASN HB2 H 1 3.279 0.000 . . . . . . 64 ASN HB2 . 19061 1 573 . 1 1 64 64 ASN HB3 H 1 2.825 0.000 . . . . . . 64 ASN HB3 . 19061 1 574 . 1 1 64 64 ASN C C 13 174.613 0.000 . . . . . . 64 ASN C . 19061 1 575 . 1 1 64 64 ASN CA C 13 51.647 0.000 . . . . . . 64 ASN CA . 19061 1 576 . 1 1 64 64 ASN CB C 13 36.905 0.000 . . . . . . 64 ASN CB . 19061 1 577 . 1 1 64 64 ASN N N 15 110.865 0.000 . . . . . . 64 ASN N . 19061 1 578 . 1 1 65 65 GLN H H 1 7.719 0.000 . . . . . . 65 GLN H . 19061 1 579 . 1 1 65 65 GLN HA H 1 4.010 0.000 . . . . . . 65 GLN HA . 19061 1 580 . 1 1 65 65 GLN HB2 H 1 2.197 0.000 . . . . . . 65 GLN HB2 . 19061 1 581 . 1 1 65 65 GLN HG2 H 1 2.300 0.000 . . . . . . 65 GLN HG2 . 19061 1 582 . 1 1 65 65 GLN HG3 H 1 2.266 0.000 . . . . . . 65 GLN HG3 . 19061 1 583 . 1 1 65 65 GLN C C 13 175.022 0.000 . . . . . . 65 GLN C . 19061 1 584 . 1 1 65 65 GLN CA C 13 57.443 0.000 . . . . . . 65 GLN CA . 19061 1 585 . 1 1 65 65 GLN CB C 13 26.658 0.000 . . . . . . 65 GLN CB . 19061 1 586 . 1 1 65 65 GLN CG C 13 33.831 0.000 . . . . . . 65 GLN CG . 19061 1 587 . 1 1 65 65 GLN N N 15 113.707 0.000 . . . . . . 65 GLN N . 19061 1 588 . 1 1 66 66 ASP H H 1 8.498 0.000 . . . . . . 66 ASP H . 19061 1 589 . 1 1 66 66 ASP HA H 1 4.850 0.000 . . . . . . 66 ASP HA . 19061 1 590 . 1 1 66 66 ASP HB2 H 1 3.096 0.000 . . . . . . 66 ASP HB2 . 19061 1 591 . 1 1 66 66 ASP HB3 H 1 2.336 0.000 . . . . . . 66 ASP HB3 . 19061 1 592 . 1 1 66 66 ASP C C 13 177.293 0.000 . . . . . . 66 ASP C . 19061 1 593 . 1 1 66 66 ASP CA C 13 52.882 0.000 . . . . . . 66 ASP CA . 19061 1 594 . 1 1 66 66 ASP CB C 13 40.748 0.000 . . . . . . 66 ASP CB . 19061 1 595 . 1 1 66 66 ASP N N 15 117.563 0.000 . . . . . . 66 ASP N . 19061 1 596 . 1 1 67 67 GLU H H 1 10.156 0.000 . . . . . . 67 GLU H . 19061 1 597 . 1 1 67 67 GLU HA H 1 3.843 0.000 . . . . . . 67 GLU HA . 19061 1 598 . 1 1 67 67 GLU HB2 H 1 2.423 0.000 . . . . . . 67 GLU HB2 . 19061 1 599 . 1 1 67 67 GLU HB3 H 1 2.349 0.000 . . . . . . 67 GLU HB3 . 19061 1 600 . 1 1 67 67 GLU HG2 H 1 2.301 0.000 . . . . . . 67 GLU HG2 . 19061 1 601 . 1 1 67 67 GLU C C 13 174.918 0.000 . . . . . . 67 GLU C . 19061 1 602 . 1 1 67 67 GLU CA C 13 57.991 0.000 . . . . . . 67 GLU CA . 19061 1 603 . 1 1 67 67 GLU CB C 13 26.672 0.000 . . . . . . 67 GLU CB . 19061 1 604 . 1 1 67 67 GLU CG C 13 36.313 0.000 . . . . . . 67 GLU CG . 19061 1 605 . 1 1 67 67 GLU N N 15 114.710 0.000 . . . . . . 67 GLU N . 19061 1 606 . 1 1 68 68 GLN H H 1 7.995 0.000 . . . . . . 68 GLN H . 19061 1 607 . 1 1 68 68 GLN HA H 1 5.136 0.000 . . . . . . 68 GLN HA . 19061 1 608 . 1 1 68 68 GLN HB2 H 1 1.937 0.000 . . . . . . 68 GLN HB2 . 19061 1 609 . 1 1 68 68 GLN HB3 H 1 1.803 0.000 . . . . . . 68 GLN HB3 . 19061 1 610 . 1 1 68 68 GLN HG2 H 1 2.364 0.000 . . . . . . 68 GLN HG2 . 19061 1 611 . 1 1 68 68 GLN HG3 H 1 2.143 0.000 . . . . . . 68 GLN HG3 . 19061 1 612 . 1 1 68 68 GLN C C 13 174.528 0.000 . . . . . . 68 GLN C . 19061 1 613 . 1 1 68 68 GLN CA C 13 53.898 0.000 . . . . . . 68 GLN CA . 19061 1 614 . 1 1 68 68 GLN CB C 13 32.184 0.000 . . . . . . 68 GLN CB . 19061 1 615 . 1 1 68 68 GLN CG C 13 32.512 0.000 . . . . . . 68 GLN CG . 19061 1 616 . 1 1 68 68 GLN N N 15 113.887 0.000 . . . . . . 68 GLN N . 19061 1 617 . 1 1 69 69 VAL H H 1 10.135 0.000 . . . . . . 69 VAL H . 19061 1 618 . 1 1 69 69 VAL CA C 13 61.215 0.000 . . . . . . 69 VAL CA . 19061 1 619 . 1 1 69 69 VAL CB C 13 32.559 0.000 . . . . . . 69 VAL CB . 19061 1 620 . 1 1 69 69 VAL N N 15 125.863 0.000 . . . . . . 69 VAL N . 19061 1 621 . 1 1 71 71 PHE HA H 1 3.242 0.000 . . . . . . 71 PHE HA . 19061 1 622 . 1 1 71 71 PHE HB2 H 1 2.382 0.000 . . . . . . 71 PHE HB2 . 19061 1 623 . 1 1 71 71 PHE HB3 H 1 2.282 0.000 . . . . . . 71 PHE HB3 . 19061 1 624 . 1 1 71 71 PHE C C 13 176.191 0.000 . . . . . . 71 PHE C . 19061 1 625 . 1 1 71 71 PHE CA C 13 62.864 0.000 . . . . . . 71 PHE CA . 19061 1 626 . 1 1 71 71 PHE CB C 13 38.779 0.000 . . . . . . 71 PHE CB . 19061 1 627 . 1 1 72 72 GLN H H 1 7.849 0.000 . . . . . . 72 GLN H . 19061 1 628 . 1 1 72 72 GLN HA H 1 3.703 0.000 . . . . . . 72 GLN HA . 19061 1 629 . 1 1 72 72 GLN HB2 H 1 2.179 0.000 . . . . . . 72 GLN HB2 . 19061 1 630 . 1 1 72 72 GLN HB3 H 1 2.167 0.000 . . . . . . 72 GLN HB3 . 19061 1 631 . 1 1 72 72 GLN HG2 H 1 2.401 0.000 . . . . . . 72 GLN HG2 . 19061 1 632 . 1 1 72 72 GLN HG3 H 1 2.358 0.000 . . . . . . 72 GLN HG3 . 19061 1 633 . 1 1 72 72 GLN C C 13 179.749 0.000 . . . . . . 72 GLN C . 19061 1 634 . 1 1 72 72 GLN CA C 13 59.496 0.000 . . . . . . 72 GLN CA . 19061 1 635 . 1 1 72 72 GLN CB C 13 27.911 0.000 . . . . . . 72 GLN CB . 19061 1 636 . 1 1 72 72 GLN CG C 13 34.879 0.000 . . . . . . 72 GLN CG . 19061 1 637 . 1 1 72 72 GLN N N 15 114.895 0.000 . . . . . . 72 GLN N . 19061 1 638 . 1 1 73 73 GLU H H 1 8.625 0.000 . . . . . . 73 GLU H . 19061 1 639 . 1 1 73 73 GLU HA H 1 4.062 0.000 . . . . . . 73 GLU HA . 19061 1 640 . 1 1 73 73 GLU HB2 H 1 2.408 0.000 . . . . . . 73 GLU HB2 . 19061 1 641 . 1 1 73 73 GLU HB3 H 1 2.138 0.000 . . . . . . 73 GLU HB3 . 19061 1 642 . 1 1 73 73 GLU HG2 H 1 2.602 0.000 . . . . . . 73 GLU HG2 . 19061 1 643 . 1 1 73 73 GLU C C 13 179.416 0.000 . . . . . . 73 GLU C . 19061 1 644 . 1 1 73 73 GLU CA C 13 58.777 0.000 . . . . . . 73 GLU CA . 19061 1 645 . 1 1 73 73 GLU CB C 13 29.998 0.000 . . . . . . 73 GLU CB . 19061 1 646 . 1 1 73 73 GLU CG C 13 36.278 0.000 . . . . . . 73 GLU CG . 19061 1 647 . 1 1 73 73 GLU N N 15 120.433 0.000 . . . . . . 73 GLU N . 19061 1 648 . 1 1 74 74 PHE H H 1 8.710 0.000 . . . . . . 74 PHE H . 19061 1 649 . 1 1 74 74 PHE HA H 1 3.905 0.000 . . . . . . 74 PHE HA . 19061 1 650 . 1 1 74 74 PHE HB2 H 1 3.013 0.000 . . . . . . 74 PHE HB2 . 19061 1 651 . 1 1 74 74 PHE HB3 H 1 3.005 0.000 . . . . . . 74 PHE HB3 . 19061 1 652 . 1 1 74 74 PHE C C 13 176.652 0.000 . . . . . . 74 PHE C . 19061 1 653 . 1 1 74 74 PHE CA C 13 60.493 0.000 . . . . . . 74 PHE CA . 19061 1 654 . 1 1 74 74 PHE CB C 13 39.644 0.000 . . . . . . 74 PHE CB . 19061 1 655 . 1 1 74 74 PHE N N 15 119.786 0.000 . . . . . . 74 PHE N . 19061 1 656 . 1 1 75 75 ILE H H 1 7.588 0.000 . . . . . . 75 ILE H . 19061 1 657 . 1 1 75 75 ILE HA H 1 2.919 0.000 . . . . . . 75 ILE HA . 19061 1 658 . 1 1 75 75 ILE HB H 1 1.905 0.000 . . . . . . 75 ILE HB . 19061 1 659 . 1 1 75 75 ILE HG12 H 1 1.470 0.000 . . . . . . 75 ILE HG12 . 19061 1 660 . 1 1 75 75 ILE HG21 H 1 0.754 0.000 . . . . . . 75 ILE HG2 . 19061 1 661 . 1 1 75 75 ILE HG22 H 1 0.754 0.000 . . . . . . 75 ILE HG2 . 19061 1 662 . 1 1 75 75 ILE HG23 H 1 0.754 0.000 . . . . . . 75 ILE HG2 . 19061 1 663 . 1 1 75 75 ILE HD11 H 1 0.721 0.000 . . . . . . 75 ILE HD1 . 19061 1 664 . 1 1 75 75 ILE HD12 H 1 0.721 0.000 . . . . . . 75 ILE HD1 . 19061 1 665 . 1 1 75 75 ILE HD13 H 1 0.721 0.000 . . . . . . 75 ILE HD1 . 19061 1 666 . 1 1 75 75 ILE C C 13 177.006 0.000 . . . . . . 75 ILE C . 19061 1 667 . 1 1 75 75 ILE CA C 13 65.809 0.000 . . . . . . 75 ILE CA . 19061 1 668 . 1 1 75 75 ILE CB C 13 36.575 0.000 . . . . . . 75 ILE CB . 19061 1 669 . 1 1 75 75 ILE CG1 C 13 27.066 0.000 . . . . . . 75 ILE CG1 . 19061 1 670 . 1 1 75 75 ILE CG2 C 13 17.538 0.000 . . . . . . 75 ILE CG2 . 19061 1 671 . 1 1 75 75 ILE CD1 C 13 13.733 0.000 . . . . . . 75 ILE CD1 . 19061 1 672 . 1 1 75 75 ILE N N 15 119.728 0.000 . . . . . . 75 ILE N . 19061 1 673 . 1 1 76 76 SER H H 1 7.321 0.000 . . . . . . 76 SER H . 19061 1 674 . 1 1 76 76 SER HA H 1 4.040 0.000 . . . . . . 76 SER HA . 19061 1 675 . 1 1 76 76 SER HB2 H 1 3.884 0.000 . . . . . . 76 SER HB2 . 19061 1 676 . 1 1 76 76 SER HB3 H 1 3.802 0.000 . . . . . . 76 SER HB3 . 19061 1 677 . 1 1 76 76 SER HG H 1 4.109 0.000 . . . . . . 76 SER HG . 19061 1 678 . 1 1 76 76 SER C C 13 176.321 0.000 . . . . . . 76 SER C . 19061 1 679 . 1 1 76 76 SER CA C 13 62.538 0.000 . . . . . . 76 SER CA . 19061 1 680 . 1 1 76 76 SER CB C 13 64.081 0.000 . . . . . . 76 SER CB . 19061 1 681 . 1 1 76 76 SER N N 15 112.943 0.000 . . . . . . 76 SER N . 19061 1 682 . 1 1 77 77 LEU H H 1 7.206 0.000 . . . . . . 77 LEU H . 19061 1 683 . 1 1 77 77 LEU HA H 1 4.046 0.000 . . . . . . 77 LEU HA . 19061 1 684 . 1 1 77 77 LEU HB2 H 1 1.769 0.000 . . . . . . 77 LEU HB2 . 19061 1 685 . 1 1 77 77 LEU HB3 H 1 1.381 0.000 . . . . . . 77 LEU HB3 . 19061 1 686 . 1 1 77 77 LEU HG H 1 1.265 0.000 . . . . . . 77 LEU HG . 19061 1 687 . 1 1 77 77 LEU HD11 H 1 0.758 0.000 . . . . . . 77 LEU HD1 . 19061 1 688 . 1 1 77 77 LEU HD12 H 1 0.758 0.000 . . . . . . 77 LEU HD1 . 19061 1 689 . 1 1 77 77 LEU HD13 H 1 0.758 0.000 . . . . . . 77 LEU HD1 . 19061 1 690 . 1 1 77 77 LEU HD21 H 1 0.764 0.000 . . . . . . 77 LEU HD2 . 19061 1 691 . 1 1 77 77 LEU HD22 H 1 0.764 0.000 . . . . . . 77 LEU HD2 . 19061 1 692 . 1 1 77 77 LEU HD23 H 1 0.764 0.000 . . . . . . 77 LEU HD2 . 19061 1 693 . 1 1 77 77 LEU C C 13 177.556 0.000 . . . . . . 77 LEU C . 19061 1 694 . 1 1 77 77 LEU CA C 13 56.748 0.000 . . . . . . 77 LEU CA . 19061 1 695 . 1 1 77 77 LEU CB C 13 40.601 0.000 . . . . . . 77 LEU CB . 19061 1 696 . 1 1 77 77 LEU CG C 13 27.042 0.000 . . . . . . 77 LEU CG . 19061 1 697 . 1 1 77 77 LEU CD1 C 13 25.784 0.000 . . . . . . 77 LEU CD1 . 19061 1 698 . 1 1 77 77 LEU CD2 C 13 22.984 0.000 . . . . . . 77 LEU CD2 . 19061 1 699 . 1 1 77 77 LEU N N 15 120.874 0.000 . . . . . . 77 LEU N . 19061 1 700 . 1 1 78 78 VAL H H 1 7.120 0.000 . . . . . . 78 VAL H . 19061 1 701 . 1 1 78 78 VAL HA H 1 3.030 0.000 . . . . . . 78 VAL HA . 19061 1 702 . 1 1 78 78 VAL HB H 1 1.999 0.000 . . . . . . 78 VAL HB . 19061 1 703 . 1 1 78 78 VAL HG11 H 1 0.665 0.000 . . . . . . 78 VAL HG1 . 19061 1 704 . 1 1 78 78 VAL HG12 H 1 0.665 0.000 . . . . . . 78 VAL HG1 . 19061 1 705 . 1 1 78 78 VAL HG13 H 1 0.665 0.000 . . . . . . 78 VAL HG1 . 19061 1 706 . 1 1 78 78 VAL HG21 H 1 0.313 0.000 . . . . . . 78 VAL HG2 . 19061 1 707 . 1 1 78 78 VAL HG22 H 1 0.313 0.000 . . . . . . 78 VAL HG2 . 19061 1 708 . 1 1 78 78 VAL HG23 H 1 0.313 0.000 . . . . . . 78 VAL HG2 . 19061 1 709 . 1 1 78 78 VAL C C 13 176.835 0.000 . . . . . . 78 VAL C . 19061 1 710 . 1 1 78 78 VAL CA C 13 67.089 0.000 . . . . . . 78 VAL CA . 19061 1 711 . 1 1 78 78 VAL CB C 13 30.496 0.000 . . . . . . 78 VAL CB . 19061 1 712 . 1 1 78 78 VAL CG1 C 13 20.739 0.000 . . . . . . 78 VAL CG1 . 19061 1 713 . 1 1 78 78 VAL CG2 C 13 18.625 0.000 . . . . . . 78 VAL CG2 . 19061 1 714 . 1 1 78 78 VAL N N 15 118.350 0.000 . . . . . . 78 VAL N . 19061 1 715 . 1 1 79 79 ALA H H 1 8.109 0.000 . . . . . . 79 ALA H . 19061 1 716 . 1 1 79 79 ALA HA H 1 3.839 0.000 . . . . . . 79 ALA HA . 19061 1 717 . 1 1 79 79 ALA HB1 H 1 1.386 0.000 . . . . . . 79 ALA HB . 19061 1 718 . 1 1 79 79 ALA HB2 H 1 1.386 0.000 . . . . . . 79 ALA HB . 19061 1 719 . 1 1 79 79 ALA HB3 H 1 1.386 0.000 . . . . . . 79 ALA HB . 19061 1 720 . 1 1 79 79 ALA C C 13 179.391 0.000 . . . . . . 79 ALA C . 19061 1 721 . 1 1 79 79 ALA CA C 13 56.180 0.000 . . . . . . 79 ALA CA . 19061 1 722 . 1 1 79 79 ALA CB C 13 18.491 0.000 . . . . . . 79 ALA CB . 19061 1 723 . 1 1 79 79 ALA N N 15 119.562 0.000 . . . . . . 79 ALA N . 19061 1 724 . 1 1 80 80 ILE H H 1 7.444 0.000 . . . . . . 80 ILE H . 19061 1 725 . 1 1 80 80 ILE HA H 1 3.655 0.000 . . . . . . 80 ILE HA . 19061 1 726 . 1 1 80 80 ILE HB H 1 1.901 0.000 . . . . . . 80 ILE HB . 19061 1 727 . 1 1 80 80 ILE HG12 H 1 1.353 0.000 . . . . . . 80 ILE HG12 . 19061 1 728 . 1 1 80 80 ILE HG13 H 1 1.148 0.000 . . . . . . 80 ILE HG13 . 19061 1 729 . 1 1 80 80 ILE HG21 H 1 0.850 0.000 . . . . . . 80 ILE HG2 . 19061 1 730 . 1 1 80 80 ILE HG22 H 1 0.850 0.000 . . . . . . 80 ILE HG2 . 19061 1 731 . 1 1 80 80 ILE HG23 H 1 0.850 0.000 . . . . . . 80 ILE HG2 . 19061 1 732 . 1 1 80 80 ILE HD11 H 1 0.780 0.000 . . . . . . 80 ILE HD1 . 19061 1 733 . 1 1 80 80 ILE HD12 H 1 0.780 0.000 . . . . . . 80 ILE HD1 . 19061 1 734 . 1 1 80 80 ILE HD13 H 1 0.780 0.000 . . . . . . 80 ILE HD1 . 19061 1 735 . 1 1 80 80 ILE C C 13 178.490 0.000 . . . . . . 80 ILE C . 19061 1 736 . 1 1 80 80 ILE CA C 13 65.162 0.000 . . . . . . 80 ILE CA . 19061 1 737 . 1 1 80 80 ILE CB C 13 38.740 0.000 . . . . . . 80 ILE CB . 19061 1 738 . 1 1 80 80 ILE CG1 C 13 28.296 0.000 . . . . . . 80 ILE CG1 . 19061 1 739 . 1 1 80 80 ILE CG2 C 13 17.164 0.000 . . . . . . 80 ILE CG2 . 19061 1 740 . 1 1 80 80 ILE CD1 C 13 13.294 0.000 . . . . . . 80 ILE CD1 . 19061 1 741 . 1 1 80 80 ILE N N 15 116.535 0.000 . . . . . . 80 ILE N . 19061 1 742 . 1 1 81 81 ALA H H 1 8.479 0.000 . . . . . . 81 ALA H . 19061 1 743 . 1 1 81 81 ALA HA H 1 3.942 0.000 . . . . . . 81 ALA HA . 19061 1 744 . 1 1 81 81 ALA HB1 H 1 1.368 0.000 . . . . . . 81 ALA HB . 19061 1 745 . 1 1 81 81 ALA HB2 H 1 1.368 0.000 . . . . . . 81 ALA HB . 19061 1 746 . 1 1 81 81 ALA HB3 H 1 1.368 0.000 . . . . . . 81 ALA HB . 19061 1 747 . 1 1 81 81 ALA C C 13 179.214 0.000 . . . . . . 81 ALA C . 19061 1 748 . 1 1 81 81 ALA CA C 13 54.962 0.000 . . . . . . 81 ALA CA . 19061 1 749 . 1 1 81 81 ALA CB C 13 18.973 0.000 . . . . . . 81 ALA CB . 19061 1 750 . 1 1 81 81 ALA N N 15 122.076 0.000 . . . . . . 81 ALA N . 19061 1 751 . 1 1 82 82 LEU H H 1 8.858 0.000 . . . . . . 82 LEU H . 19061 1 752 . 1 1 82 82 LEU HA H 1 4.098 0.000 . . . . . . 82 LEU HA . 19061 1 753 . 1 1 82 82 LEU HB2 H 1 2.022 0.000 . . . . . . 82 LEU HB2 . 19061 1 754 . 1 1 82 82 LEU HB3 H 1 1.431 0.000 . . . . . . 82 LEU HB3 . 19061 1 755 . 1 1 82 82 LEU HG H 1 0.988 0.000 . . . . . . 82 LEU HG . 19061 1 756 . 1 1 82 82 LEU C C 13 178.591 0.000 . . . . . . 82 LEU C . 19061 1 757 . 1 1 82 82 LEU CA C 13 57.749 0.000 . . . . . . 82 LEU CA . 19061 1 758 . 1 1 82 82 LEU CB C 13 42.550 0.000 . . . . . . 82 LEU CB . 19061 1 759 . 1 1 82 82 LEU CG C 13 25.802 0.000 . . . . . . 82 LEU CG . 19061 1 760 . 1 1 82 82 LEU N N 15 118.250 0.000 . . . . . . 82 LEU N . 19061 1 761 . 1 1 83 83 LYS H H 1 7.885 0.000 . . . . . . 83 LYS H . 19061 1 762 . 1 1 83 83 LYS HA H 1 4.075 0.000 . . . . . . 83 LYS HA . 19061 1 763 . 1 1 83 83 LYS HB2 H 1 1.958 0.000 . . . . . . 83 LYS HB2 . 19061 1 764 . 1 1 83 83 LYS HD2 H 1 1.601 0.000 . . . . . . 83 LYS HD2 . 19061 1 765 . 1 1 83 83 LYS HE2 H 1 2.900 0.000 . . . . . . 83 LYS HE2 . 19061 1 766 . 1 1 83 83 LYS C C 13 176.801 0.000 . . . . . . 83 LYS C . 19061 1 767 . 1 1 83 83 LYS CA C 13 60.429 0.000 . . . . . . 83 LYS CA . 19061 1 768 . 1 1 83 83 LYS CB C 13 32.366 0.000 . . . . . . 83 LYS CB . 19061 1 769 . 1 1 83 83 LYS N N 15 118.069 0.000 . . . . . . 83 LYS N . 19061 1 770 . 1 1 84 84 ALA H H 1 7.786 0.000 . . . . . . 84 ALA H . 19061 1 771 . 1 1 84 84 ALA HA H 1 4.205 0.000 . . . . . . 84 ALA HA . 19061 1 772 . 1 1 84 84 ALA HB1 H 1 1.497 0.000 . . . . . . 84 ALA HB . 19061 1 773 . 1 1 84 84 ALA HB2 H 1 1.497 0.000 . . . . . . 84 ALA HB . 19061 1 774 . 1 1 84 84 ALA HB3 H 1 1.497 0.000 . . . . . . 84 ALA HB . 19061 1 775 . 1 1 84 84 ALA C C 13 179.341 0.000 . . . . . . 84 ALA C . 19061 1 776 . 1 1 84 84 ALA CA C 13 54.617 0.000 . . . . . . 84 ALA CA . 19061 1 777 . 1 1 84 84 ALA CB C 13 18.547 0.000 . . . . . . 84 ALA CB . 19061 1 778 . 1 1 84 84 ALA N N 15 120.334 0.000 . . . . . . 84 ALA N . 19061 1 779 . 1 1 85 85 ALA H H 1 8.217 0.000 . . . . . . 85 ALA H . 19061 1 780 . 1 1 85 85 ALA HA H 1 4.120 0.000 . . . . . . 85 ALA HA . 19061 1 781 . 1 1 85 85 ALA HB1 H 1 1.446 0.000 . . . . . . 85 ALA HB . 19061 1 782 . 1 1 85 85 ALA HB2 H 1 1.446 0.000 . . . . . . 85 ALA HB . 19061 1 783 . 1 1 85 85 ALA HB3 H 1 1.446 0.000 . . . . . . 85 ALA HB . 19061 1 784 . 1 1 85 85 ALA C C 13 179.139 0.000 . . . . . . 85 ALA C . 19061 1 785 . 1 1 85 85 ALA CA C 13 54.252 0.000 . . . . . . 85 ALA CA . 19061 1 786 . 1 1 85 85 ALA CB C 13 18.120 0.000 . . . . . . 85 ALA CB . 19061 1 787 . 1 1 85 85 ALA N N 15 119.830 0.000 . . . . . . 85 ALA N . 19061 1 788 . 1 1 86 86 HIS H H 1 8.042 0.000 . . . . . . 86 HIS H . 19061 1 789 . 1 1 86 86 HIS HA H 1 4.313 0.000 . . . . . . 86 HIS HA . 19061 1 790 . 1 1 86 86 HIS HB2 H 1 2.886 0.000 . . . . . . 86 HIS HB2 . 19061 1 791 . 1 1 86 86 HIS HB3 H 1 2.563 0.000 . . . . . . 86 HIS HB3 . 19061 1 792 . 1 1 86 86 HIS C C 13 175.227 0.000 . . . . . . 86 HIS C . 19061 1 793 . 1 1 86 86 HIS CA C 13 57.457 0.000 . . . . . . 86 HIS CA . 19061 1 794 . 1 1 86 86 HIS CB C 13 29.523 0.000 . . . . . . 86 HIS CB . 19061 1 795 . 1 1 86 86 HIS N N 15 115.582 0.000 . . . . . . 86 HIS N . 19061 1 796 . 1 1 87 87 TYR H H 1 7.893 0.000 . . . . . . 87 TYR H . 19061 1 797 . 1 1 87 87 TYR HA H 1 4.341 0.000 . . . . . . 87 TYR HA . 19061 1 798 . 1 1 87 87 TYR HB2 H 1 3.021 0.000 . . . . . . 87 TYR HB2 . 19061 1 799 . 1 1 87 87 TYR HB3 H 1 2.983 0.000 . . . . . . 87 TYR HB3 . 19061 1 800 . 1 1 87 87 TYR C C 13 176.128 0.000 . . . . . . 87 TYR C . 19061 1 801 . 1 1 87 87 TYR CA C 13 59.152 0.000 . . . . . . 87 TYR CA . 19061 1 802 . 1 1 87 87 TYR CB C 13 38.481 0.000 . . . . . . 87 TYR CB . 19061 1 803 . 1 1 87 87 TYR N N 15 118.385 0.000 . . . . . . 87 TYR N . 19061 1 804 . 1 1 88 88 HIS H H 1 7.946 0.000 . . . . . . 88 HIS H . 19061 1 805 . 1 1 88 88 HIS HA H 1 4.629 0.000 . . . . . . 88 HIS HA . 19061 1 806 . 1 1 88 88 HIS HB2 H 1 3.263 0.000 . . . . . . 88 HIS HB2 . 19061 1 807 . 1 1 88 88 HIS HB3 H 1 3.096 0.000 . . . . . . 88 HIS HB3 . 19061 1 808 . 1 1 88 88 HIS C C 13 174.565 0.000 . . . . . . 88 HIS C . 19061 1 809 . 1 1 88 88 HIS CA C 13 55.815 0.000 . . . . . . 88 HIS CA . 19061 1 810 . 1 1 88 88 HIS CB C 13 29.063 0.000 . . . . . . 88 HIS CB . 19061 1 811 . 1 1 88 88 HIS N N 15 116.563 0.000 . . . . . . 88 HIS N . 19061 1 812 . 1 1 89 89 THR H H 1 7.780 0.000 . . . . . . 89 THR H . 19061 1 813 . 1 1 89 89 THR HA H 1 4.229 0.000 . . . . . . 89 THR HA . 19061 1 814 . 1 1 89 89 THR HB H 1 4.034 0.000 . . . . . . 89 THR HB . 19061 1 815 . 1 1 89 89 THR HG21 H 1 1.134 0.000 . . . . . . 89 THR HG2 . 19061 1 816 . 1 1 89 89 THR HG22 H 1 1.134 0.000 . . . . . . 89 THR HG2 . 19061 1 817 . 1 1 89 89 THR HG23 H 1 1.134 0.000 . . . . . . 89 THR HG2 . 19061 1 818 . 1 1 89 89 THR C C 13 174.192 0.000 . . . . . . 89 THR C . 19061 1 819 . 1 1 89 89 THR CA C 13 62.357 0.000 . . . . . . 89 THR CA . 19061 1 820 . 1 1 89 89 THR CB C 13 69.815 0.000 . . . . . . 89 THR CB . 19061 1 821 . 1 1 89 89 THR CG2 C 13 21.660 0.000 . . . . . . 89 THR CG2 . 19061 1 822 . 1 1 89 89 THR N N 15 112.519 0.000 . . . . . . 89 THR N . 19061 1 823 . 1 1 90 90 HIS H H 1 8.279 0.000 . . . . . . 90 HIS H . 19061 1 824 . 1 1 90 90 HIS HA H 1 4.645 0.000 . . . . . . 90 HIS HA . 19061 1 825 . 1 1 90 90 HIS HB2 H 1 3.168 0.000 . . . . . . 90 HIS HB2 . 19061 1 826 . 1 1 90 90 HIS HB3 H 1 3.058 0.000 . . . . . . 90 HIS HB3 . 19061 1 827 . 1 1 90 90 HIS C C 13 173.699 0.000 . . . . . . 90 HIS C . 19061 1 828 . 1 1 90 90 HIS CA C 13 55.540 0.000 . . . . . . 90 HIS CA . 19061 1 829 . 1 1 90 90 HIS CB C 13 29.279 0.000 . . . . . . 90 HIS CB . 19061 1 830 . 1 1 90 90 HIS N N 15 119.918 0.000 . . . . . . 90 HIS N . 19061 1 831 . 1 1 91 91 LYS H H 1 8.222 0.000 . . . . . . 91 LYS H . 19061 1 832 . 1 1 91 91 LYS HA H 1 4.238 0.000 . . . . . . 91 LYS HA . 19061 1 833 . 1 1 91 91 LYS HB2 H 1 1.686 0.000 . . . . . . 91 LYS HB2 . 19061 1 834 . 1 1 91 91 LYS HB3 H 1 1.606 0.000 . . . . . . 91 LYS HB3 . 19061 1 835 . 1 1 91 91 LYS HG2 H 1 1.340 0.000 . . . . . . 91 LYS HG2 . 19061 1 836 . 1 1 91 91 LYS HD2 H 1 1.568 0.000 . . . . . . 91 LYS HD2 . 19061 1 837 . 1 1 91 91 LYS HE2 H 1 2.921 0.000 . . . . . . 91 LYS HE2 . 19061 1 838 . 1 1 91 91 LYS C C 13 175.241 0.000 . . . . . . 91 LYS C . 19061 1 839 . 1 1 91 91 LYS CA C 13 56.433 0.000 . . . . . . 91 LYS CA . 19061 1 840 . 1 1 91 91 LYS CB C 13 33.164 0.000 . . . . . . 91 LYS CB . 19061 1 841 . 1 1 91 91 LYS CG C 13 24.521 0.000 . . . . . . 91 LYS CG . 19061 1 842 . 1 1 91 91 LYS CD C 13 28.978 0.000 . . . . . . 91 LYS CD . 19061 1 843 . 1 1 91 91 LYS CE C 13 42.213 0.000 . . . . . . 91 LYS CE . 19061 1 844 . 1 1 91 91 LYS N N 15 122.786 0.000 . . . . . . 91 LYS N . 19061 1 845 . 1 1 92 92 GLU H H 1 7.951 0.000 . . . . . . 92 GLU H . 19061 1 846 . 1 1 92 92 GLU HA H 1 4.117 0.000 . . . . . . 92 GLU HA . 19061 1 847 . 1 1 92 92 GLU HB2 H 1 2.048 0.000 . . . . . . 92 GLU HB2 . 19061 1 848 . 1 1 92 92 GLU HB3 H 1 1.874 0.000 . . . . . . 92 GLU HB3 . 19061 1 849 . 1 1 92 92 GLU HG2 H 1 2.225 0.000 . . . . . . 92 GLU HG2 . 19061 1 850 . 1 1 92 92 GLU CA C 13 57.914 0.000 . . . . . . 92 GLU CA . 19061 1 851 . 1 1 92 92 GLU CB C 13 30.943 0.000 . . . . . . 92 GLU CB . 19061 1 852 . 1 1 92 92 GLU CG C 13 35.953 0.000 . . . . . . 92 GLU CG . 19061 1 853 . 1 1 92 92 GLU N N 15 126.284 0.000 . . . . . . 92 GLU N . 19061 1 stop_ save_