data_52087 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52087 _Entry.Title ; C-terminal domain of AtBCCP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-20 _Entry.Accession_date 2023-08-20 _Entry.Last_release_date 2023-08-21 _Entry.Original_release_date 2023-08-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kiran-Kumar Shivaiah . . . 0000-0001-9243-6554 52087 2 Ganesh Subedi . P. . . 52087 3 Adam Barb . W. . 0000-0003-3290-8649 52087 4 Basil Nikolau . J. . 0000-0002-4672-7139 52087 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52087 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 52087 '15N chemical shifts' 79 52087 '1H chemical shifts' 564 52087 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 . . 2024-02-19 . original BMRB . 52087 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52087 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution Structure of C-terminal domain of the BCCP1 subunit of the Arabidopsis plastidic acetyl-CoA carboxylase ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kiran-Kumar Shivaiah . . . . 52087 1 2 Ganesh Subedi . P. . . 52087 1 3 Adam Barb . W. . . 52087 1 4 Basil Nikolau . J. . . 52087 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52087 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of AtBCCP1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'C-terminal domain of AtBCCP1' 1 $entity_1 . . yes native no no . . . 52087 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52087 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; SSENLYFQGSDPKSSLPTVK SPMAGTFYRSPAPGEPPFIK VGDKVQKGQVLCIVEAMKLM NEIESDHTGTVVDIVAEDGK PVSLDTPLFVVQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _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 unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'BCCP1 subunit chemically links the two half-reactions of the heteromeric acetyl-CoA Carboxylase' 52087 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 8 SER . 52087 1 2 9 SER . 52087 1 3 10 GLU . 52087 1 4 11 ASN . 52087 1 5 12 LEU . 52087 1 6 13 TYR . 52087 1 7 14 PHE . 52087 1 8 15 GLN . 52087 1 9 16 GLY . 52087 1 10 17 SER . 52087 1 11 18 ASP . 52087 1 12 19 PRO . 52087 1 13 20 LYS . 52087 1 14 21 SER . 52087 1 15 22 SER . 52087 1 16 23 LEU . 52087 1 17 24 PRO . 52087 1 18 25 THR . 52087 1 19 26 VAL . 52087 1 20 27 LYS . 52087 1 21 28 SER . 52087 1 22 29 PRO . 52087 1 23 30 MET . 52087 1 24 31 ALA . 52087 1 25 32 GLY . 52087 1 26 33 THR . 52087 1 27 34 PHE . 52087 1 28 35 TYR . 52087 1 29 36 ARG . 52087 1 30 37 SER . 52087 1 31 38 PRO . 52087 1 32 39 ALA . 52087 1 33 40 PRO . 52087 1 34 41 GLY . 52087 1 35 42 GLU . 52087 1 36 43 PRO . 52087 1 37 44 PRO . 52087 1 38 45 PHE . 52087 1 39 46 ILE . 52087 1 40 47 LYS . 52087 1 41 48 VAL . 52087 1 42 49 GLY . 52087 1 43 50 ASP . 52087 1 44 51 LYS . 52087 1 45 52 VAL . 52087 1 46 53 GLN . 52087 1 47 54 LYS . 52087 1 48 55 GLY . 52087 1 49 56 GLN . 52087 1 50 57 VAL . 52087 1 51 58 LEU . 52087 1 52 59 CYS . 52087 1 53 60 ILE . 52087 1 54 61 VAL . 52087 1 55 62 GLU . 52087 1 56 63 ALA . 52087 1 57 64 MET . 52087 1 58 65 LYS . 52087 1 59 66 LEU . 52087 1 60 67 MET . 52087 1 61 68 ASN . 52087 1 62 69 GLU . 52087 1 63 70 ILE . 52087 1 64 71 GLU . 52087 1 65 72 SER . 52087 1 66 73 ASP . 52087 1 67 74 HIS . 52087 1 68 75 THR . 52087 1 69 76 GLY . 52087 1 70 77 THR . 52087 1 71 78 VAL . 52087 1 72 79 VAL . 52087 1 73 80 ASP . 52087 1 74 81 ILE . 52087 1 75 82 VAL . 52087 1 76 83 ALA . 52087 1 77 84 GLU . 52087 1 78 85 ASP . 52087 1 79 86 GLY . 52087 1 80 87 LYS . 52087 1 81 88 PRO . 52087 1 82 89 VAL . 52087 1 83 90 SER . 52087 1 84 91 LEU . 52087 1 85 92 ASP . 52087 1 86 93 THR . 52087 1 87 94 PRO . 52087 1 88 95 LEU . 52087 1 89 96 PHE . 52087 1 90 97 VAL . 52087 1 91 98 VAL . 52087 1 92 99 GLN . 52087 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 . SER 1 1 52087 1 . SER 2 2 52087 1 . GLU 3 3 52087 1 . ASN 4 4 52087 1 . LEU 5 5 52087 1 . TYR 6 6 52087 1 . PHE 7 7 52087 1 . GLN 8 8 52087 1 . GLY 9 9 52087 1 . SER 10 10 52087 1 . ASP 11 11 52087 1 . PRO 12 12 52087 1 . LYS 13 13 52087 1 . SER 14 14 52087 1 . SER 15 15 52087 1 . LEU 16 16 52087 1 . PRO 17 17 52087 1 . THR 18 18 52087 1 . VAL 19 19 52087 1 . LYS 20 20 52087 1 . SER 21 21 52087 1 . PRO 22 22 52087 1 . MET 23 23 52087 1 . ALA 24 24 52087 1 . GLY 25 25 52087 1 . THR 26 26 52087 1 . PHE 27 27 52087 1 . TYR 28 28 52087 1 . ARG 29 29 52087 1 . SER 30 30 52087 1 . PRO 31 31 52087 1 . ALA 32 32 52087 1 . PRO 33 33 52087 1 . GLY 34 34 52087 1 . GLU 35 35 52087 1 . PRO 36 36 52087 1 . PRO 37 37 52087 1 . PHE 38 38 52087 1 . ILE 39 39 52087 1 . LYS 40 40 52087 1 . VAL 41 41 52087 1 . GLY 42 42 52087 1 . ASP 43 43 52087 1 . LYS 44 44 52087 1 . VAL 45 45 52087 1 . GLN 46 46 52087 1 . LYS 47 47 52087 1 . GLY 48 48 52087 1 . GLN 49 49 52087 1 . VAL 50 50 52087 1 . LEU 51 51 52087 1 . CYS 52 52 52087 1 . ILE 53 53 52087 1 . VAL 54 54 52087 1 . GLU 55 55 52087 1 . ALA 56 56 52087 1 . MET 57 57 52087 1 . LYS 58 58 52087 1 . LEU 59 59 52087 1 . MET 60 60 52087 1 . ASN 61 61 52087 1 . GLU 62 62 52087 1 . ILE 63 63 52087 1 . GLU 64 64 52087 1 . SER 65 65 52087 1 . ASP 66 66 52087 1 . HIS 67 67 52087 1 . THR 68 68 52087 1 . GLY 69 69 52087 1 . THR 70 70 52087 1 . VAL 71 71 52087 1 . VAL 72 72 52087 1 . ASP 73 73 52087 1 . ILE 74 74 52087 1 . VAL 75 75 52087 1 . ALA 76 76 52087 1 . GLU 77 77 52087 1 . ASP 78 78 52087 1 . GLY 79 79 52087 1 . LYS 80 80 52087 1 . PRO 81 81 52087 1 . VAL 82 82 52087 1 . SER 83 83 52087 1 . LEU 84 84 52087 1 . ASP 85 85 52087 1 . THR 86 86 52087 1 . PRO 87 87 52087 1 . LEU 88 88 52087 1 . PHE 89 89 52087 1 . VAL 90 90 52087 1 . VAL 91 91 52087 1 . GLN 92 92 52087 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52087 _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_1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . CAC1A . 52087 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52087 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . plasmid . . pET30f . . . 52087 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52087 _Sample.ID 1 _Sample.Name 'C-terminal domain of AtBCCP1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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_1 . . . 1 $entity_1 . . . . . mM . . . . 52087 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52087 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 52087 1 4 'Phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 52087 1 5 'ammonium chloride' '[U-100% 15N]' . . . . . . 0.01 . . % . . . . 52087 1 6 Glucose '[U-100% 13C]' . . . . . . 0.02 . . % . . . . 52087 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 52087 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Room temperature' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 52087 1 pH 7.2 . pH 52087 1 pressure 1 . atm 52087 1 temperature 303 . K 52087 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52087 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52087 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52087 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52087 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance II 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52087 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52087 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52087 1 3 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52087 1 4 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52087 1 5 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52087 1 6 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52087 1 7 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52087 1 8 '3D HNHA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52087 1 9 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52087 1 10 '3D 15N-separated NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52087 1 11 '3D 13C-separated NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52087 1 12 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52087 1 13 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52087 1 14 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52087 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52087 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'C-terminal domain of AtBCCP1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 glucose 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . 52087 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 na direct 1 . . . . . 52087 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52087 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'C-terminal domain of BCCP1' _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 $chem_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' . . . 52087 1 2 '2D 1H-13C HSQC' . . . 52087 1 3 '3D CBCA(CO)NH' . . . 52087 1 4 '3D CBCANH' . . . 52087 1 5 '3D HNCA' . . . 52087 1 6 '3D HN(CO)CA' . . . 52087 1 7 '3D HNCO' . . . 52087 1 8 '3D HNHA' . . . 52087 1 9 '3D HCCH-TOCSY' . . . 52087 1 10 '3D 15N-separated NOESY' . . . 52087 1 11 '3D 13C-separated NOESY' . . . 52087 1 12 '3D C(CO)NH' . . . 52087 1 13 '3D H(CCO)NH' . . . 52087 1 14 '3D HBHA(CO)NH' . . . 52087 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52087 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER HA H 1 4.430 0.01 . 1 . . . . . 8 SER HA . 52087 1 2 . 1 . 1 1 1 SER HB2 H 1 3.840 0.02 . 1 . . . . . 8 SER HB . 52087 1 3 . 1 . 1 1 1 SER HB3 H 1 3.840 0.02 . 1 . . . . . 8 SER HB . 52087 1 4 . 1 . 1 1 1 SER C C 13 170.812 0.00 . 1 . . . . . 8 SER C . 52087 1 5 . 1 . 1 1 1 SER CA C 13 55.285 0.13 . 1 . . . . . 8 SER CA . 52087 1 6 . 1 . 1 1 1 SER CB C 13 60.845 0.21 . 1 . . . . . 8 SER CB . 52087 1 7 . 1 . 1 2 2 SER H H 1 8.343 0.00 . 1 . . . . . 9 SER H . 52087 1 8 . 1 . 1 2 2 SER HA H 1 4.406 0.04 . 1 . . . . . 9 SER HA . 52087 1 9 . 1 . 1 2 2 SER HB2 H 1 3.860 0.00 . 1 . . . . . 9 SER HB2 . 52087 1 10 . 1 . 1 2 2 SER HB3 H 1 3.830 0.00 . 1 . . . . . 9 SER HB3 . 52087 1 11 . 1 . 1 2 2 SER C C 13 172.628 0.00 . 1 . . . . . 9 SER C . 52087 1 12 . 1 . 1 2 2 SER CA C 13 49.330 0.20 . 1 . . . . . 9 SER CA . 52087 1 13 . 1 . 1 2 2 SER CB C 13 62.017 0.00 . 1 . . . . . 9 SER CB . 52087 1 14 . 1 . 1 2 2 SER N N 15 123.885 0.03 . 1 . . . . . 9 SER N . 52087 1 15 . 1 . 1 3 3 GLU H H 1 8.402 0.01 . 1 . . . . . 10 GLU H . 52087 1 16 . 1 . 1 3 3 GLU HA H 1 4.238 0.01 . 1 . . . . . 10 GLU HA . 52087 1 17 . 1 . 1 3 3 GLU HB2 H 1 2.020 0.00 . 1 . . . . . 10 GLU HB2 . 52087 1 18 . 1 . 1 3 3 GLU HB3 H 1 1.990 0.00 . 1 . . . . . 10 GLU HB3 . 52087 1 19 . 1 . 1 3 3 GLU HG2 H 1 2.260 0.00 . 1 . . . . . 10 GLU HG2 . 52087 1 20 . 1 . 1 3 3 GLU HG3 H 1 2.240 0.00 . 1 . . . . . 10 GLU HG3 . 52087 1 21 . 1 . 1 3 3 GLU C C 13 173.161 0.00 . 1 . . . . . 10 GLU C . 52087 1 22 . 1 . 1 3 3 GLU CA C 13 53.845 0.20 . 1 . . . . . 10 GLU CA . 52087 1 23 . 1 . 1 3 3 GLU CB C 13 27.197 0.13 . 1 . . . . . 10 GLU CB . 52087 1 24 . 1 . 1 3 3 GLU CG C 13 33.358 0.07 . 1 . . . . . 10 GLU CG . 52087 1 25 . 1 . 1 3 3 GLU N N 15 123.062 0.10 . 1 . . . . . 10 GLU N . 52087 1 26 . 1 . 1 4 4 ASN H H 1 8.300 0.00 . 1 . . . . . 11 ASN H . 52087 1 27 . 1 . 1 4 4 ASN HA H 1 4.642 0.01 . 1 . . . . . 11 ASN HA . 52087 1 28 . 1 . 1 4 4 ASN HB2 H 1 2.731 0.01 . 1 . . . . . 11 ASN HB2 . 52087 1 29 . 1 . 1 4 4 ASN HB3 H 1 2.731 0.01 . 1 . . . . . 11 ASN HB3 . 52087 1 30 . 1 . 1 4 4 ASN C C 13 171.972 0.00 . 1 . . . . . 11 ASN C . 52087 1 31 . 1 . 1 4 4 ASN CA C 13 50.398 0.09 . 1 . . . . . 11 ASN CA . 52087 1 32 . 1 . 1 4 4 ASN CB C 13 35.842 0.03 . 1 . . . . . 11 ASN CB . 52087 1 33 . 1 . 1 4 4 ASN N N 15 119.541 0.03 . 1 . . . . . 11 ASN N . 52087 1 34 . 1 . 1 5 5 LEU H H 1 8.043 0.00 . 1 . . . . . 12 LEU H . 52087 1 35 . 1 . 1 5 5 LEU HA H 1 4.211 0.04 . 1 . . . . . 12 LEU HA . 52087 1 36 . 1 . 1 5 5 LEU HB2 H 1 1.399 0.06 . 1 . . . . . 12 LEU HB2 . 52087 1 37 . 1 . 1 5 5 LEU HB3 H 1 1.340 0.02 . 1 . . . . . 12 LEU HB3 . 52087 1 38 . 1 . 1 5 5 LEU HG H 1 1.657 0.05 . 1 . . . . . 12 LEU HG . 52087 1 39 . 1 . 1 5 5 LEU HD11 H 1 0.834 0.02 . 1 . . . . . 12 LEU HD1 . 52087 1 40 . 1 . 1 5 5 LEU HD12 H 1 0.834 0.02 . 1 . . . . . 12 LEU HD1 . 52087 1 41 . 1 . 1 5 5 LEU HD13 H 1 0.834 0.02 . 1 . . . . . 12 LEU HD1 . 52087 1 42 . 1 . 1 5 5 LEU HD21 H 1 0.788 0.02 . 1 . . . . . 12 LEU HD2 . 52087 1 43 . 1 . 1 5 5 LEU HD22 H 1 0.788 0.02 . 1 . . . . . 12 LEU HD2 . 52087 1 44 . 1 . 1 5 5 LEU HD23 H 1 0.788 0.02 . 1 . . . . . 12 LEU HD2 . 52087 1 45 . 1 . 1 5 5 LEU C C 13 173.932 0.00 . 1 . . . . . 12 LEU C . 52087 1 46 . 1 . 1 5 5 LEU CA C 13 52.508 0.13 . 1 . . . . . 12 LEU CA . 52087 1 47 . 1 . 1 5 5 LEU CB C 13 39.274 0.12 . 1 . . . . . 12 LEU CB . 52087 1 48 . 1 . 1 5 5 LEU CG C 13 30.892 0.15 . 1 . . . . . 12 LEU CG . 52087 1 49 . 1 . 1 5 5 LEU CD1 C 13 23.742 0.00 . 1 . . . . . 12 LEU CD1 . 52087 1 50 . 1 . 1 5 5 LEU CD2 C 13 20.444 0.13 . 1 . . . . . 12 LEU CD2 . 52087 1 51 . 1 . 1 5 5 LEU N N 15 122.774 0.02 . 1 . . . . . 12 LEU N . 52087 1 52 . 1 . 1 6 6 TYR H H 1 8.014 0.00 . 1 . . . . . 13 TYR H . 52087 1 53 . 1 . 1 6 6 TYR HA H 1 4.477 0.02 . 1 . . . . . 13 TYR HA . 52087 1 54 . 1 . 1 6 6 TYR HB2 H 1 2.933 0.00 . 1 . . . . . 13 TYR HB2 . 52087 1 55 . 1 . 1 6 6 TYR HB3 H 1 2.837 0.00 . 1 . . . . . 13 TYR HB3 . 52087 1 56 . 1 . 1 6 6 TYR CA C 13 55.003 0.31 . 1 . . . . . 13 TYR CA . 52087 1 57 . 1 . 1 6 6 TYR CB C 13 35.765 0.08 . 1 . . . . . 13 TYR CB . 52087 1 58 . 1 . 1 6 6 TYR N N 15 120.343 0.03 . 1 . . . . . 13 TYR N . 52087 1 59 . 1 . 1 7 7 PHE HA H 1 4.191 0.00 . 1 . . . . . 14 PHE HA . 52087 1 60 . 1 . 1 7 7 PHE HB2 H 1 1.207 0.02 . 1 . . . . . 14 PHE HB2 . 52087 1 61 . 1 . 1 7 7 PHE HB3 H 1 0.765 0.00 . 1 . . . . . 14 PHE HB3 . 52087 1 62 . 1 . 1 7 7 PHE C C 13 172.399 0.00 . 1 . . . . . 14 PHE C . 52087 1 63 . 1 . 1 7 7 PHE CA C 13 51.425 0.11 . 1 . . . . . 14 PHE CA . 52087 1 64 . 1 . 1 7 7 PHE CB C 13 42.176 0.20 . 1 . . . . . 14 PHE CB . 52087 1 65 . 1 . 1 8 8 GLN H H 1 7.293 0.00 . 1 . . . . . 15 GLN H . 52087 1 66 . 1 . 1 8 8 GLN HA H 1 4.243 0.01 . 1 . . . . . 15 GLN HA . 52087 1 67 . 1 . 1 8 8 GLN HB2 H 1 2.068 0.01 . 1 . . . . . 15 GLN HB2 . 52087 1 68 . 1 . 1 8 8 GLN HB3 H 1 1.916 0.01 . 1 . . . . . 15 GLN HB3 . 52087 1 69 . 1 . 1 8 8 GLN HG2 H 1 2.328 0.02 . 1 . . . . . 15 GLN HG2 . 52087 1 70 . 1 . 1 8 8 GLN HG3 H 1 2.318 0.03 . 1 . . . . . 15 GLN HG3 . 52087 1 71 . 1 . 1 8 8 GLN C C 13 173.036 0.00 . 1 . . . . . 15 GLN C . 52087 1 72 . 1 . 1 8 8 GLN CA C 13 53.163 0.35 . 1 . . . . . 15 GLN CA . 52087 1 73 . 1 . 1 8 8 GLN CB C 13 26.539 0.23 . 1 . . . . . 15 GLN CB . 52087 1 74 . 1 . 1 8 8 GLN CG C 13 30.767 0.08 . 1 . . . . . 15 GLN CG . 52087 1 75 . 1 . 1 8 8 GLN N N 15 108.766 0.05 . 1 . . . . . 15 GLN N . 52087 1 76 . 1 . 1 9 9 GLY H H 1 7.958 0.00 . 1 . . . . . 16 GLY H . 52087 1 77 . 1 . 1 9 9 GLY HA2 H 1 3.933 0.01 . 1 . . . . . 16 GLY HA . 52087 1 78 . 1 . 1 9 9 GLY HA3 H 1 3.933 0.01 . 1 . . . . . 16 GLY HA . 52087 1 79 . 1 . 1 9 9 GLY CA C 13 42.356 0.08 . 1 . . . . . 16 GLY CA . 52087 1 80 . 1 . 1 9 9 GLY N N 15 110.448 0.04 . 1 . . . . . 16 GLY N . 52087 1 81 . 1 . 1 10 10 SER H H 1 8.141 0.00 . 1 . . . . . 17 SER H . 52087 1 82 . 1 . 1 10 10 SER HA H 1 4.462 0.03 . 1 . . . . . 17 SER HA . 52087 1 83 . 1 . 1 10 10 SER HB2 H 1 3.860 0.00 . 1 . . . . . 17 SER HB2 . 52087 1 84 . 1 . 1 10 10 SER HB3 H 1 3.830 0.00 . 1 . . . . . 17 SER HB3 . 52087 1 85 . 1 . 1 10 10 SER C C 13 171.109 0.00 . 1 . . . . . 17 SER C . 52087 1 86 . 1 . 1 10 10 SER CA C 13 55.209 0.14 . 1 . . . . . 17 SER CA . 52087 1 87 . 1 . 1 10 10 SER CB C 13 60.907 0.08 . 1 . . . . . 17 SER CB . 52087 1 88 . 1 . 1 10 10 SER N N 15 115.884 0.03 . 1 . . . . . 17 SER N . 52087 1 89 . 1 . 1 11 11 ASP H H 1 8.033 0.00 . 1 . . . . . 18 ASP H . 52087 1 90 . 1 . 1 11 11 ASP HA H 1 4.590 0.03 . 1 . . . . . 18 ASP HA . 52087 1 91 . 1 . 1 11 11 ASP CA C 13 50.380 0.15 . 1 . . . . . 18 ASP CA . 52087 1 92 . 1 . 1 11 11 ASP CB C 13 38.768 0.00 . 1 . . . . . 18 ASP CB . 52087 1 93 . 1 . 1 11 11 ASP N N 15 125.552 0.05 . 1 . . . . . 18 ASP N . 52087 1 94 . 1 . 1 12 12 PRO HA H 1 4.342 0.02 . 1 . . . . . 19 PRO HA . 52087 1 95 . 1 . 1 12 12 PRO HB2 H 1 2.246 0.03 . 1 . . . . . 19 PRO HB2 . 52087 1 96 . 1 . 1 12 12 PRO HB3 H 1 1.920 0.02 . 1 . . . . . 19 PRO HB3 . 52087 1 97 . 1 . 1 12 12 PRO HG2 H 1 1.969 0.00 . 1 . . . . . 19 PRO HG2 . 52087 1 98 . 1 . 1 12 12 PRO HG3 H 1 1.969 0.00 . 1 . . . . . 19 PRO HG3 . 52087 1 99 . 1 . 1 12 12 PRO HD2 H 1 3.818 0.00 . 1 . . . . . 19 PRO HD2 . 52087 1 100 . 1 . 1 12 12 PRO HD3 H 1 3.818 0.00 . 1 . . . . . 19 PRO HD3 . 52087 1 101 . 1 . 1 12 12 PRO C C 13 174.624 0.00 . 1 . . . . . 19 PRO C . 52087 1 102 . 1 . 1 12 12 PRO CA C 13 60.841 0.30 . 1 . . . . . 19 PRO CA . 52087 1 103 . 1 . 1 12 12 PRO CB C 13 29.169 0.12 . 1 . . . . . 19 PRO CB . 52087 1 104 . 1 . 1 12 12 PRO CG C 13 24.289 0.04 . 1 . . . . . 19 PRO CG . 52087 1 105 . 1 . 1 12 12 PRO CD C 13 48.011 0.24 . 1 . . . . . 19 PRO CD . 52087 1 106 . 1 . 1 13 13 LYS H H 1 8.428 0.01 . 1 . . . . . 20 LYS H . 52087 1 107 . 1 . 1 13 13 LYS HA H 1 4.203 0.02 . 1 . . . . . 20 LYS HA . 52087 1 108 . 1 . 1 13 13 LYS HB2 H 1 1.796 0.00 . 1 . . . . . 20 LYS HB2 . 52087 1 109 . 1 . 1 13 13 LYS HB3 H 1 1.796 0.00 . 1 . . . . . 20 LYS HB3 . 52087 1 110 . 1 . 1 13 13 LYS HG2 H 1 1.412 0.02 . 1 . . . . . 20 LYS HG2 . 52087 1 111 . 1 . 1 13 13 LYS HG3 H 1 1.428 0.00 . 1 . . . . . 20 LYS HG3 . 52087 1 112 . 1 . 1 13 13 LYS HD2 H 1 1.786 0.00 . 1 . . . . . 20 LYS HD2 . 52087 1 113 . 1 . 1 13 13 LYS HD3 H 1 1.574 0.01 . 1 . . . . . 20 LYS HD3 . 52087 1 114 . 1 . 1 13 13 LYS HE2 H 1 2.964 0.00 . 1 . . . . . 20 LYS HE2 . 52087 1 115 . 1 . 1 13 13 LYS HE3 H 1 2.964 0.00 . 1 . . . . . 20 LYS HE3 . 52087 1 116 . 1 . 1 13 13 LYS C C 13 174.173 0.00 . 1 . . . . . 20 LYS C . 52087 1 117 . 1 . 1 13 13 LYS CA C 13 54.048 0.09 . 1 . . . . . 20 LYS CA . 52087 1 118 . 1 . 1 13 13 LYS CB C 13 29.321 0.08 . 1 . . . . . 20 LYS CB . 52087 1 119 . 1 . 1 13 13 LYS CG C 13 21.976 0.09 . 1 . . . . . 20 LYS CG . 52087 1 120 . 1 . 1 13 13 LYS CD C 13 26.055 0.06 . 1 . . . . . 20 LYS CD . 52087 1 121 . 1 . 1 13 13 LYS CE C 13 38.987 0.03 . 1 . . . . . 20 LYS CE . 52087 1 122 . 1 . 1 13 13 LYS N N 15 119.999 0.03 . 1 . . . . . 20 LYS N . 52087 1 123 . 1 . 1 14 14 SER H H 1 8.011 0.00 . 1 . . . . . 21 SER H . 52087 1 124 . 1 . 1 14 14 SER HA H 1 4.431 0.02 . 1 . . . . . 21 SER HA . 52087 1 125 . 1 . 1 14 14 SER HB2 H 1 3.842 0.02 . 1 . . . . . 21 SER HB2 . 52087 1 126 . 1 . 1 14 14 SER HB3 H 1 3.842 0.02 . 1 . . . . . 21 SER HB3 . 52087 1 127 . 1 . 1 14 14 SER CA C 13 55.715 0.17 . 1 . . . . . 21 SER CA . 52087 1 128 . 1 . 1 14 14 SER CB C 13 60.929 0.04 . 1 . . . . . 21 SER CB . 52087 1 129 . 1 . 1 14 14 SER N N 15 115.734 0.07 . 1 . . . . . 21 SER N . 52087 1 130 . 1 . 1 15 15 SER HA H 1 4.479 0.02 . 1 . . . . . 22 SER HA . 52087 1 131 . 1 . 1 15 15 SER HB2 H 1 3.860 0.00 . 1 . . . . . 22 SER HB2 . 52087 1 132 . 1 . 1 15 15 SER HB3 H 1 3.840 0.01 . 1 . . . . . 22 SER HB3 . 52087 1 133 . 1 . 1 15 15 SER C C 13 171.074 0.00 . 1 . . . . . 22 SER C . 52087 1 134 . 1 . 1 15 15 SER CA C 13 55.246 0.14 . 1 . . . . . 22 SER CA . 52087 1 135 . 1 . 1 15 15 SER CB C 13 61.146 0.39 . 1 . . . . . 22 SER CB . 52087 1 136 . 1 . 1 16 16 LEU H H 1 7.884 0.00 . 1 . . . . . 23 LEU H . 52087 1 137 . 1 . 1 16 16 LEU HA H 1 4.583 0.02 . 1 . . . . . 23 LEU HA . 52087 1 138 . 1 . 1 16 16 LEU HB2 H 1 1.466 0.01 . 1 . . . . . 23 LEU HB . 52087 1 139 . 1 . 1 16 16 LEU HB3 H 1 1.466 0.01 . 1 . . . . . 23 LEU HB . 52087 1 140 . 1 . 1 16 16 LEU HG H 1 1.669 0.01 . 1 . . . . . 23 LEU HG . 52087 1 141 . 1 . 1 16 16 LEU HD11 H 1 0.959 0.01 . 1 . . . . . 23 LEU HD1 . 52087 1 142 . 1 . 1 16 16 LEU HD12 H 1 0.959 0.01 . 1 . . . . . 23 LEU HD1 . 52087 1 143 . 1 . 1 16 16 LEU HD13 H 1 0.959 0.01 . 1 . . . . . 23 LEU HD1 . 52087 1 144 . 1 . 1 16 16 LEU HD21 H 1 0.793 0.06 . 1 . . . . . 23 LEU HD2 . 52087 1 145 . 1 . 1 16 16 LEU HD22 H 1 0.793 0.06 . 1 . . . . . 23 LEU HD2 . 52087 1 146 . 1 . 1 16 16 LEU HD23 H 1 0.793 0.06 . 1 . . . . . 23 LEU HD2 . 52087 1 147 . 1 . 1 16 16 LEU CA C 13 50.355 0.12 . 1 . . . . . 23 LEU CA . 52087 1 148 . 1 . 1 16 16 LEU CB C 13 38.553 0.28 . 1 . . . . . 23 LEU CB . 52087 1 149 . 1 . 1 16 16 LEU CG C 13 24.107 0.13 . 1 . . . . . 23 LEU CG . 52087 1 150 . 1 . 1 16 16 LEU CD2 C 13 22.848 0.16 . 1 . . . . . 23 LEU CD2 . 52087 1 151 . 1 . 1 16 16 LEU N N 15 125.350 0.02 . 1 . . . . . 23 LEU N . 52087 1 152 . 1 . 1 17 17 PRO HA H 1 4.207 0.02 . 1 . . . . . 24 PRO HA . 52087 1 153 . 1 . 1 17 17 PRO HB2 H 1 1.486 0.00 . 1 . . . . . 24 PRO HB2 . 52087 1 154 . 1 . 1 17 17 PRO HB3 H 1 1.260 0.01 . 1 . . . . . 24 PRO HB3 . 52087 1 155 . 1 . 1 17 17 PRO HG2 H 1 1.829 0.00 . 1 . . . . . 24 PRO HG2 . 52087 1 156 . 1 . 1 17 17 PRO HG3 H 1 1.777 0.03 . 1 . . . . . 24 PRO HG3 . 52087 1 157 . 1 . 1 17 17 PRO HD2 H 1 3.640 0.00 . 1 . . . . . 24 PRO HD2 . 52087 1 158 . 1 . 1 17 17 PRO HD3 H 1 3.600 0.00 . 1 . . . . . 24 PRO HD3 . 52087 1 159 . 1 . 1 17 17 PRO C C 13 171.514 0.00 . 1 . . . . . 24 PRO C . 52087 1 160 . 1 . 1 17 17 PRO CA C 13 60.114 0.13 . 1 . . . . . 24 PRO CA . 52087 1 161 . 1 . 1 17 17 PRO CB C 13 28.010 0.04 . 1 . . . . . 24 PRO CB . 52087 1 162 . 1 . 1 17 17 PRO CG C 13 24.441 0.16 . 1 . . . . . 24 PRO CG . 52087 1 163 . 1 . 1 17 17 PRO CD C 13 47.455 0.09 . 1 . . . . . 24 PRO CD . 52087 1 164 . 1 . 1 18 18 THR H H 1 7.982 0.00 . 1 . . . . . 25 THR H . 52087 1 165 . 1 . 1 18 18 THR HA H 1 5.211 0.01 . 1 . . . . . 25 THR HA . 52087 1 166 . 1 . 1 18 18 THR HB H 1 3.823 0.00 . 1 . . . . . 25 THR HB . 52087 1 167 . 1 . 1 18 18 THR HG21 H 1 1.095 0.01 . 1 . . . . . 25 THR HG2 . 52087 1 168 . 1 . 1 18 18 THR HG22 H 1 1.095 0.01 . 1 . . . . . 25 THR HG2 . 52087 1 169 . 1 . 1 18 18 THR HG23 H 1 1.095 0.01 . 1 . . . . . 25 THR HG2 . 52087 1 170 . 1 . 1 18 18 THR C C 13 172.040 0.00 . 1 . . . . . 25 THR C . 52087 1 171 . 1 . 1 18 18 THR CA C 13 56.126 0.07 . 1 . . . . . 25 THR CA . 52087 1 172 . 1 . 1 18 18 THR CB C 13 69.187 0.04 . 1 . . . . . 25 THR CB . 52087 1 173 . 1 . 1 18 18 THR CG2 C 13 18.668 0.04 . 1 . . . . . 25 THR CG2 . 52087 1 174 . 1 . 1 18 18 THR N N 15 112.300 0.04 . 1 . . . . . 25 THR N . 52087 1 175 . 1 . 1 19 19 VAL H H 1 8.876 0.00 . 1 . . . . . 26 VAL H . 52087 1 176 . 1 . 1 19 19 VAL HA H 1 4.497 0.01 . 1 . . . . . 26 VAL HA . 52087 1 177 . 1 . 1 19 19 VAL HB H 1 2.233 0.06 . 1 . . . . . 26 VAL HB . 52087 1 178 . 1 . 1 19 19 VAL HG11 H 1 1.170 0.02 . 1 . . . . . 26 VAL HG1 . 52087 1 179 . 1 . 1 19 19 VAL HG12 H 1 1.170 0.02 . 1 . . . . . 26 VAL HG1 . 52087 1 180 . 1 . 1 19 19 VAL HG13 H 1 1.170 0.02 . 1 . . . . . 26 VAL HG1 . 52087 1 181 . 1 . 1 19 19 VAL HG21 H 1 1.117 0.01 . 1 . . . . . 26 VAL HG2 . 52087 1 182 . 1 . 1 19 19 VAL HG22 H 1 1.117 0.01 . 1 . . . . . 26 VAL HG2 . 52087 1 183 . 1 . 1 19 19 VAL HG23 H 1 1.117 0.01 . 1 . . . . . 26 VAL HG2 . 52087 1 184 . 1 . 1 19 19 VAL C C 13 172.482 0.00 . 1 . . . . . 26 VAL C . 52087 1 185 . 1 . 1 19 19 VAL CA C 13 58.807 0.08 . 1 . . . . . 26 VAL CA . 52087 1 186 . 1 . 1 19 19 VAL CB C 13 30.497 0.12 . 1 . . . . . 26 VAL CB . 52087 1 187 . 1 . 1 19 19 VAL CG1 C 13 17.096 0.14 . 1 . . . . . 26 VAL CG# . 52087 1 188 . 1 . 1 19 19 VAL CG2 C 13 17.096 0.14 . 1 . . . . . 26 VAL CG# . 52087 1 189 . 1 . 1 19 19 VAL N N 15 125.799 0.02 . 1 . . . . . 26 VAL N . 52087 1 190 . 1 . 1 20 20 LYS H H 1 9.273 0.00 . 1 . . . . . 27 LYS H . 52087 1 191 . 1 . 1 20 20 LYS HA H 1 4.844 0.02 . 1 . . . . . 27 LYS HA . 52087 1 192 . 1 . 1 20 20 LYS HB2 H 1 1.604 0.02 . 1 . . . . . 27 LYS HB2 . 52087 1 193 . 1 . 1 20 20 LYS HB3 H 1 1.338 0.01 . 1 . . . . . 27 LYS HB3 . 52087 1 194 . 1 . 1 20 20 LYS HG2 H 1 0.947 0.00 . 1 . . . . . 27 LYS HG2 . 52087 1 195 . 1 . 1 20 20 LYS HG3 H 1 0.947 0.00 . 1 . . . . . 27 LYS HG3 . 52087 1 196 . 1 . 1 20 20 LYS HD2 H 1 1.680 0.00 . 1 . . . . . 27 LYS HD2 . 52087 1 197 . 1 . 1 20 20 LYS HD3 H 1 1.682 0.00 . 1 . . . . . 27 LYS HD3 . 52087 1 198 . 1 . 1 20 20 LYS HE2 H 1 2.913 0.00 . 1 . . . . . 27 LYS HE2 . 52087 1 199 . 1 . 1 20 20 LYS HE3 H 1 2.913 0.00 . 1 . . . . . 27 LYS HE3 . 52087 1 200 . 1 . 1 20 20 LYS C C 13 173.021 0.00 . 1 . . . . . 27 LYS C . 52087 1 201 . 1 . 1 20 20 LYS CA C 13 51.220 0.13 . 1 . . . . . 27 LYS CA . 52087 1 202 . 1 . 1 20 20 LYS CB C 13 31.886 0.28 . 1 . . . . . 27 LYS CB . 52087 1 203 . 1 . 1 20 20 LYS CG C 13 22.209 0.09 . 1 . . . . . 27 LYS CG . 52087 1 204 . 1 . 1 20 20 LYS CD C 13 25.727 0.28 . 1 . . . . . 27 LYS CD . 52087 1 205 . 1 . 1 20 20 LYS CE C 13 38.999 0.14 . 1 . . . . . 27 LYS CE . 52087 1 206 . 1 . 1 20 20 LYS N N 15 130.272 0.03 . 1 . . . . . 27 LYS N . 52087 1 207 . 1 . 1 21 21 SER H H 1 8.676 0.00 . 1 . . . . . 28 SER H . 52087 1 208 . 1 . 1 21 21 SER HA H 1 4.513 0.03 . 1 . . . . . 28 SER HA . 52087 1 209 . 1 . 1 21 21 SER CA C 13 53.492 0.12 . 1 . . . . . 28 SER CA . 52087 1 210 . 1 . 1 21 21 SER CB C 13 61.559 0.00 . 1 . . . . . 28 SER CB . 52087 1 211 . 1 . 1 21 21 SER N N 15 114.777 0.04 . 1 . . . . . 28 SER N . 52087 1 212 . 1 . 1 22 22 PRO HA H 1 4.775 0.00 . 1 . . . . . 29 PRO HA . 52087 1 213 . 1 . 1 22 22 PRO HB2 H 1 2.264 0.01 . 1 . . . . . 29 PRO HB2 . 52087 1 214 . 1 . 1 22 22 PRO HB3 H 1 2.170 0.01 . 1 . . . . . 29 PRO HB3 . 52087 1 215 . 1 . 1 22 22 PRO HG2 H 1 1.883 0.03 . 1 . . . . . 29 PRO HG2 . 52087 1 216 . 1 . 1 22 22 PRO HG3 H 1 1.901 0.02 . 1 . . . . . 29 PRO HG3 . 52087 1 217 . 1 . 1 22 22 PRO HD2 H 1 3.799 0.01 . 1 . . . . . 29 PRO HD2 . 52087 1 218 . 1 . 1 22 22 PRO HD3 H 1 3.799 0.01 . 1 . . . . . 29 PRO HD3 . 52087 1 219 . 1 . 1 22 22 PRO C C 13 171.619 0.00 . 1 . . . . . 29 PRO C . 52087 1 220 . 1 . 1 22 22 PRO CA C 13 60.301 0.14 . 1 . . . . . 29 PRO CA . 52087 1 221 . 1 . 1 22 22 PRO CB C 13 29.045 0.25 . 1 . . . . . 29 PRO CB . 52087 1 222 . 1 . 1 22 22 PRO CG C 13 24.227 0.14 . 1 . . . . . 29 PRO CG . 52087 1 223 . 1 . 1 22 22 PRO CD C 13 47.675 0.17 . 1 . . . . . 29 PRO CD . 52087 1 224 . 1 . 1 23 23 MET H H 1 7.639 0.00 . 1 . . . . . 30 MET H . 52087 1 225 . 1 . 1 23 23 MET HA H 1 4.609 0.00 . 1 . . . . . 30 MET HA . 52087 1 226 . 1 . 1 23 23 MET HB2 H 1 2.137 0.02 . 1 . . . . . 30 MET HB2 . 52087 1 227 . 1 . 1 23 23 MET HB3 H 1 1.910 0.02 . 1 . . . . . 30 MET HB3 . 52087 1 228 . 1 . 1 23 23 MET HG2 H 1 2.035 0.01 . 1 . . . . . 30 MET HG . 52087 1 229 . 1 . 1 23 23 MET HG3 H 1 2.035 0.01 . 1 . . . . . 30 MET HG . 52087 1 230 . 1 . 1 23 23 MET C C 13 169.533 0.00 . 1 . . . . . 30 MET C . 52087 1 231 . 1 . 1 23 23 MET CA C 13 51.792 0.38 . 1 . . . . . 30 MET CA . 52087 1 232 . 1 . 1 23 23 MET CB C 13 31.310 0.13 . 1 . . . . . 30 MET CB . 52087 1 233 . 1 . 1 23 23 MET CG C 13 27.126 0.04 . 1 . . . . . 30 MET CG . 52087 1 234 . 1 . 1 23 23 MET N N 15 115.551 0.02 . 1 . . . . . 30 MET N . 52087 1 235 . 1 . 1 24 24 ALA H H 1 8.450 0.00 . 1 . . . . . 31 ALA H . 52087 1 236 . 1 . 1 24 24 ALA HA H 1 4.611 0.02 . 1 . . . . . 31 ALA HA . 52087 1 237 . 1 . 1 24 24 ALA HB1 H 1 1.482 0.01 . 1 . . . . . 31 ALA HB . 52087 1 238 . 1 . 1 24 24 ALA HB2 H 1 1.482 0.01 . 1 . . . . . 31 ALA HB . 52087 1 239 . 1 . 1 24 24 ALA HB3 H 1 1.482 0.01 . 1 . . . . . 31 ALA HB . 52087 1 240 . 1 . 1 24 24 ALA C C 13 174.136 0.00 . 1 . . . . . 31 ALA C . 52087 1 241 . 1 . 1 24 24 ALA CA C 13 47.664 0.11 . 1 . . . . . 31 ALA CA . 52087 1 242 . 1 . 1 24 24 ALA CB C 13 16.476 0.11 . 1 . . . . . 31 ALA CB . 52087 1 243 . 1 . 1 24 24 ALA N N 15 124.198 0.02 . 1 . . . . . 31 ALA N . 52087 1 244 . 1 . 1 25 25 GLY H H 1 8.039 0.00 . 1 . . . . . 32 GLY H . 52087 1 245 . 1 . 1 25 25 GLY HA2 H 1 4.377 0.00 . 1 . . . . . 32 GLY HA2 . 52087 1 246 . 1 . 1 25 25 GLY HA3 H 1 3.958 0.03 . 1 . . . . . 32 GLY HA3 . 52087 1 247 . 1 . 1 25 25 GLY C C 13 169.384 0.00 . 1 . . . . . 32 GLY C . 52087 1 248 . 1 . 1 25 25 GLY CA C 13 42.767 0.18 . 1 . . . . . 32 GLY CA . 52087 1 249 . 1 . 1 25 25 GLY N N 15 108.422 0.02 . 1 . . . . . 32 GLY N . 52087 1 250 . 1 . 1 26 26 THR H H 1 8.948 0.00 . 1 . . . . . 33 THR H . 52087 1 251 . 1 . 1 26 26 THR HA H 1 4.348 0.01 . 1 . . . . . 33 THR HA . 52087 1 252 . 1 . 1 26 26 THR HB H 1 3.964 0.01 . 1 . . . . . 33 THR HB . 52087 1 253 . 1 . 1 26 26 THR HG21 H 1 0.574 0.01 . 1 . . . . . 33 THR HG2 . 52087 1 254 . 1 . 1 26 26 THR HG22 H 1 0.574 0.01 . 1 . . . . . 33 THR HG2 . 52087 1 255 . 1 . 1 26 26 THR HG23 H 1 0.574 0.01 . 1 . . . . . 33 THR HG2 . 52087 1 256 . 1 . 1 26 26 THR C C 13 169.363 0.00 . 1 . . . . . 33 THR C . 52087 1 257 . 1 . 1 26 26 THR CA C 13 60.345 0.18 . 1 . . . . . 33 THR CA . 52087 1 258 . 1 . 1 26 26 THR CB C 13 66.452 0.32 . 1 . . . . . 33 THR CB . 52087 1 259 . 1 . 1 26 26 THR CG2 C 13 18.502 0.02 . 1 . . . . . 33 THR CG2 . 52087 1 260 . 1 . 1 26 26 THR N N 15 120.048 0.02 . 1 . . . . . 33 THR N . 52087 1 261 . 1 . 1 27 27 PHE H H 1 8.076 0.00 . 1 . . . . . 34 PHE H . 52087 1 262 . 1 . 1 27 27 PHE HA H 1 4.900 0.01 . 1 . . . . . 34 PHE HA . 52087 1 263 . 1 . 1 27 27 PHE HB2 H 1 3.080 0.03 . 1 . . . . . 34 PHE HB2 . 52087 1 264 . 1 . 1 27 27 PHE HB3 H 1 2.950 0.02 . 1 . . . . . 34 PHE HB3 . 52087 1 265 . 1 . 1 27 27 PHE C C 13 169.374 0.00 . 1 . . . . . 34 PHE C . 52087 1 266 . 1 . 1 27 27 PHE CA C 13 54.398 0.07 . 1 . . . . . 34 PHE CA . 52087 1 267 . 1 . 1 27 27 PHE CB C 13 38.904 0.14 . 1 . . . . . 34 PHE CB . 52087 1 268 . 1 . 1 27 27 PHE N N 15 130.229 0.03 . 1 . . . . . 34 PHE N . 52087 1 269 . 1 . 1 28 28 TYR H H 1 9.012 0.00 . 1 . . . . . 35 TYR H . 52087 1 270 . 1 . 1 28 28 TYR HA H 1 5.129 0.01 . 1 . . . . . 35 TYR HA . 52087 1 271 . 1 . 1 28 28 TYR HB2 H 1 3.324 0.01 . 1 . . . . . 35 TYR HB2 . 52087 1 272 . 1 . 1 28 28 TYR HB3 H 1 2.465 0.00 . 1 . . . . . 35 TYR HB3 . 52087 1 273 . 1 . 1 28 28 TYR C C 13 172.894 0.00 . 1 . . . . . 35 TYR C . 52087 1 274 . 1 . 1 28 28 TYR CA C 13 53.537 0.11 . 1 . . . . . 35 TYR CA . 52087 1 275 . 1 . 1 28 28 TYR CB C 13 38.898 0.17 . 1 . . . . . 35 TYR CB . 52087 1 276 . 1 . 1 28 28 TYR N N 15 124.317 0.04 . 1 . . . . . 35 TYR N . 52087 1 277 . 1 . 1 29 29 ARG H H 1 9.007 0.00 . 1 . . . . . 36 ARG H . 52087 1 278 . 1 . 1 29 29 ARG HA H 1 4.102 0.01 . 1 . . . . . 36 ARG HA . 52087 1 279 . 1 . 1 29 29 ARG HB2 H 1 2.016 0.00 . 1 . . . . . 36 ARG HB2 . 52087 1 280 . 1 . 1 29 29 ARG HG2 H 1 1.546 0.05 . 1 . . . . . 36 ARG HG . 52087 1 281 . 1 . 1 29 29 ARG HG3 H 1 1.546 0.05 . 1 . . . . . 36 ARG HG . 52087 1 282 . 1 . 1 29 29 ARG HD2 H 1 3.657 0.05 . 1 . . . . . 36 ARG HD . 52087 1 283 . 1 . 1 29 29 ARG HD3 H 1 3.657 0.05 . 1 . . . . . 36 ARG HD . 52087 1 284 . 1 . 1 29 29 ARG C C 13 174.266 0.00 . 1 . . . . . 36 ARG C . 52087 1 285 . 1 . 1 29 29 ARG CA C 13 52.865 0.28 . 1 . . . . . 36 ARG CA . 52087 1 286 . 1 . 1 29 29 ARG CB C 13 27.538 0.19 . 1 . . . . . 36 ARG CB . 52087 1 287 . 1 . 1 29 29 ARG CG C 13 22.594 0.41 . 1 . . . . . 36 ARG CG . 52087 1 288 . 1 . 1 29 29 ARG CD C 13 38.805 0.04 . 1 . . . . . 36 ARG CD . 52087 1 289 . 1 . 1 29 29 ARG N N 15 119.104 0.04 . 1 . . . . . 36 ARG N . 52087 1 290 . 1 . 1 30 30 SER H H 1 8.515 0.00 . 1 . . . . . 37 SER H . 52087 1 291 . 1 . 1 30 30 SER HA H 1 4.667 0.04 . 1 . . . . . 37 SER HA . 52087 1 292 . 1 . 1 30 30 SER CA C 13 53.087 0.26 . 1 . . . . . 37 SER CA . 52087 1 293 . 1 . 1 30 30 SER CB C 13 61.144 0.00 . 1 . . . . . 37 SER CB . 52087 1 294 . 1 . 1 30 30 SER N N 15 116.552 0.05 . 1 . . . . . 37 SER N . 52087 1 295 . 1 . 1 31 31 PRO HA H 1 4.079 0.02 . 1 . . . . . 38 PRO HA . 52087 1 296 . 1 . 1 31 31 PRO HB2 H 1 2.225 0.03 . 1 . . . . . 38 PRO HB2 . 52087 1 297 . 1 . 1 31 31 PRO HB3 H 1 1.796 0.03 . 1 . . . . . 38 PRO HB3 . 52087 1 298 . 1 . 1 31 31 PRO HG2 H 1 1.834 0.00 . 1 . . . . . 38 PRO HG2 . 52087 1 299 . 1 . 1 31 31 PRO HG3 H 1 1.834 0.00 . 1 . . . . . 38 PRO HG3 . 52087 1 300 . 1 . 1 31 31 PRO HD2 H 1 3.499 0.01 . 1 . . . . . 38 PRO HD2 . 52087 1 301 . 1 . 1 31 31 PRO HD3 H 1 3.499 0.01 . 1 . . . . . 38 PRO HD3 . 52087 1 302 . 1 . 1 31 31 PRO C C 13 172.162 0.00 . 1 . . . . . 38 PRO C . 52087 1 303 . 1 . 1 31 31 PRO CA C 13 60.763 0.14 . 1 . . . . . 38 PRO CA . 52087 1 304 . 1 . 1 31 31 PRO CB C 13 28.405 0.31 . 1 . . . . . 38 PRO CB . 52087 1 305 . 1 . 1 31 31 PRO CG C 13 24.316 0.27 . 1 . . . . . 38 PRO CG . 52087 1 306 . 1 . 1 31 31 PRO CD C 13 47.214 0.18 . 1 . . . . . 38 PRO CD . 52087 1 307 . 1 . 1 32 32 ALA H H 1 6.697 0.00 . 1 . . . . . 39 ALA H . 52087 1 308 . 1 . 1 32 32 ALA HA H 1 4.305 0.00 . 1 . . . . . 39 ALA HA . 52087 1 309 . 1 . 1 32 32 ALA HB1 H 1 1.183 0.01 . 1 . . . . . 39 ALA HB . 52087 1 310 . 1 . 1 32 32 ALA HB2 H 1 1.183 0.01 . 1 . . . . . 39 ALA HB . 52087 1 311 . 1 . 1 32 32 ALA HB3 H 1 1.183 0.01 . 1 . . . . . 39 ALA HB . 52087 1 312 . 1 . 1 32 32 ALA CA C 13 47.235 0.27 . 1 . . . . . 39 ALA CA . 52087 1 313 . 1 . 1 32 32 ALA CB C 13 16.403 0.07 . 1 . . . . . 39 ALA CB . 52087 1 314 . 1 . 1 32 32 ALA N N 15 117.372 0.02 . 1 . . . . . 39 ALA N . 52087 1 315 . 1 . 1 34 34 GLY HA2 H 1 4.364 0.01 . 1 . . . . . 41 GLY HA2 . 52087 1 316 . 1 . 1 34 34 GLY HA3 H 1 3.961 0.02 . 1 . . . . . 41 GLY HA3 . 52087 1 317 . 1 . 1 34 34 GLY C C 13 169.505 0.00 . 1 . . . . . 41 GLY C . 52087 1 318 . 1 . 1 34 34 GLY CA C 13 42.782 0.16 . 1 . . . . . 41 GLY CA . 52087 1 319 . 1 . 1 35 35 GLU H H 1 9.525 0.00 . 1 . . . . . 42 GLU H . 52087 1 320 . 1 . 1 35 35 GLU HA H 1 4.426 0.01 . 1 . . . . . 42 GLU HA . 52087 1 321 . 1 . 1 35 35 GLU HB2 H 1 1.911 0.00 . 1 . . . . . 42 GLU HB . 52087 1 322 . 1 . 1 35 35 GLU HB3 H 1 1.911 0.00 . 1 . . . . . 42 GLU HB . 52087 1 323 . 1 . 1 35 35 GLU HG2 H 1 2.259 0.00 . 1 . . . . . 42 GLU HG . 52087 1 324 . 1 . 1 35 35 GLU HG3 H 1 2.259 0.00 . 1 . . . . . 42 GLU HG . 52087 1 325 . 1 . 1 35 35 GLU CA C 13 60.425 0.10 . 1 . . . . . 42 GLU CA . 52087 1 326 . 1 . 1 35 35 GLU N N 15 121.068 0.04 . 1 . . . . . 42 GLU N . 52087 1 327 . 1 . 1 37 37 PRO HA H 1 4.473 0.02 . 1 . . . . . 44 PRO HA . 52087 1 328 . 1 . 1 37 37 PRO HB2 H 1 2.182 0.01 . 1 . . . . . 44 PRO HB . 52087 1 329 . 1 . 1 37 37 PRO HB3 H 1 2.182 0.01 . 1 . . . . . 44 PRO HB . 52087 1 330 . 1 . 1 37 37 PRO HG2 H 1 1.979 0.03 . 1 . . . . . 44 PRO HG . 52087 1 331 . 1 . 1 37 37 PRO HG3 H 1 1.979 0.03 . 1 . . . . . 44 PRO HG . 52087 1 332 . 1 . 1 37 37 PRO HD2 H 1 2.867 0.00 . 1 . . . . . 44 PRO HD . 52087 1 333 . 1 . 1 37 37 PRO HD3 H 1 2.867 0.00 . 1 . . . . . 44 PRO HD . 52087 1 334 . 1 . 1 37 37 PRO CA C 13 58.936 0.16 . 1 . . . . . 44 PRO CA . 52087 1 335 . 1 . 1 37 37 PRO CB C 13 29.632 0.10 . 1 . . . . . 44 PRO CB . 52087 1 336 . 1 . 1 37 37 PRO CG C 13 24.321 0.02 . 1 . . . . . 44 PRO CG . 52087 1 337 . 1 . 1 37 37 PRO CD C 13 46.925 0.10 . 1 . . . . . 44 PRO CD . 52087 1 338 . 1 . 1 38 38 PHE H H 1 8.126 0.00 . 1 . . . . . 45 PHE H . 52087 1 339 . 1 . 1 38 38 PHE HA H 1 4.173 0.01 . 1 . . . . . 45 PHE HA . 52087 1 340 . 1 . 1 38 38 PHE HB2 H 1 3.169 0.01 . 1 . . . . . 45 PHE HB2 . 52087 1 341 . 1 . 1 38 38 PHE HB3 H 1 2.837 0.01 . 1 . . . . . 45 PHE HB3 . 52087 1 342 . 1 . 1 38 38 PHE C C 13 173.602 0.00 . 1 . . . . . 45 PHE C . 52087 1 343 . 1 . 1 38 38 PHE CA C 13 58.899 0.15 . 1 . . . . . 45 PHE CA . 52087 1 344 . 1 . 1 38 38 PHE CB C 13 36.451 0.26 . 1 . . . . . 45 PHE CB . 52087 1 345 . 1 . 1 38 38 PHE N N 15 117.871 0.06 . 1 . . . . . 45 PHE N . 52087 1 346 . 1 . 1 39 39 ILE H H 1 8.010 0.00 . 1 . . . . . 46 ILE H . 52087 1 347 . 1 . 1 39 39 ILE HA H 1 4.748 0.03 . 1 . . . . . 46 ILE HA . 52087 1 348 . 1 . 1 39 39 ILE HB H 1 1.780 0.05 . 1 . . . . . 46 ILE HB . 52087 1 349 . 1 . 1 39 39 ILE HG12 H 1 1.489 0.00 . 1 . . . . . 46 ILE HG12 . 52087 1 350 . 1 . 1 39 39 ILE HG13 H 1 1.175 0.01 . 1 . . . . . 46 ILE HG13 . 52087 1 351 . 1 . 1 39 39 ILE HG21 H 1 0.870 0.03 . 1 . . . . . 46 ILE HG2 . 52087 1 352 . 1 . 1 39 39 ILE HG22 H 1 0.870 0.03 . 1 . . . . . 46 ILE HG2 . 52087 1 353 . 1 . 1 39 39 ILE HG23 H 1 0.870 0.03 . 1 . . . . . 46 ILE HG2 . 52087 1 354 . 1 . 1 39 39 ILE HD11 H 1 0.766 0.01 . 1 . . . . . 46 ILE HD1 . 52087 1 355 . 1 . 1 39 39 ILE HD12 H 1 0.766 0.01 . 1 . . . . . 46 ILE HD1 . 52087 1 356 . 1 . 1 39 39 ILE HD13 H 1 0.766 0.01 . 1 . . . . . 46 ILE HD1 . 52087 1 357 . 1 . 1 39 39 ILE C C 13 169.717 0.00 . 1 . . . . . 46 ILE C . 52087 1 358 . 1 . 1 39 39 ILE CA C 13 54.617 0.03 . 1 . . . . . 46 ILE CA . 52087 1 359 . 1 . 1 39 39 ILE CB C 13 41.073 0.04 . 1 . . . . . 46 ILE CB . 52087 1 360 . 1 . 1 39 39 ILE CG1 C 13 25.309 0.04 . 1 . . . . . 46 ILE CG1 . 52087 1 361 . 1 . 1 39 39 ILE CG2 C 13 17.586 0.36 . 1 . . . . . 46 ILE CG2 . 52087 1 362 . 1 . 1 39 39 ILE CD1 C 13 11.899 0.05 . 1 . . . . . 46 ILE CD1 . 52087 1 363 . 1 . 1 39 39 ILE N N 15 113.288 0.03 . 1 . . . . . 46 ILE N . 52087 1 364 . 1 . 1 40 40 LYS H H 1 8.702 0.01 . 1 . . . . . 47 LYS H . 52087 1 365 . 1 . 1 40 40 LYS HA H 1 4.555 0.02 . 1 . . . . . 47 LYS HA . 52087 1 366 . 1 . 1 40 40 LYS HB3 H 1 1.347 0.00 . 1 . . . . . 47 LYS HB3 . 52087 1 367 . 1 . 1 40 40 LYS HG2 H 1 1.360 0.04 . 1 . . . . . 47 LYS HG2 . 52087 1 368 . 1 . 1 40 40 LYS HG3 H 1 1.355 0.04 . 1 . . . . . 47 LYS HG3 . 52087 1 369 . 1 . 1 40 40 LYS HD2 H 1 1.630 0.01 . 1 . . . . . 47 LYS HD2 . 52087 1 370 . 1 . 1 40 40 LYS HD3 H 1 1.641 0.03 . 1 . . . . . 47 LYS HD3 . 52087 1 371 . 1 . 1 40 40 LYS HE2 H 1 2.910 0.00 . 1 . . . . . 47 LYS HE2 . 52087 1 372 . 1 . 1 40 40 LYS HE3 H 1 2.900 0.00 . 1 . . . . . 47 LYS HE3 . 52087 1 373 . 1 . 1 40 40 LYS C C 13 172.470 0.00 . 1 . . . . . 47 LYS C . 52087 1 374 . 1 . 1 40 40 LYS CA C 13 51.542 0.28 . 1 . . . . . 47 LYS CA . 52087 1 375 . 1 . 1 40 40 LYS CB C 13 32.793 0.06 . 1 . . . . . 47 LYS CB . 52087 1 376 . 1 . 1 40 40 LYS CG C 13 21.302 0.26 . 1 . . . . . 47 LYS CG . 52087 1 377 . 1 . 1 40 40 LYS CD C 13 26.076 0.09 . 1 . . . . . 47 LYS CD . 52087 1 378 . 1 . 1 40 40 LYS CE C 13 39.016 0.09 . 1 . . . . . 47 LYS CE . 52087 1 379 . 1 . 1 40 40 LYS N N 15 123.249 0.03 . 1 . . . . . 47 LYS N . 52087 1 380 . 1 . 1 41 41 VAL H H 1 8.467 0.00 . 1 . . . . . 48 VAL H . 52087 1 381 . 1 . 1 41 41 VAL HA H 1 3.461 0.03 . 1 . . . . . 48 VAL HA . 52087 1 382 . 1 . 1 41 41 VAL HB H 1 1.990 0.03 . 1 . . . . . 48 VAL HB . 52087 1 383 . 1 . 1 41 41 VAL HG11 H 1 1.050 0.00 . 1 . . . . . 48 VAL HG1 . 52087 1 384 . 1 . 1 41 41 VAL HG12 H 1 1.050 0.00 . 1 . . . . . 48 VAL HG1 . 52087 1 385 . 1 . 1 41 41 VAL HG13 H 1 1.050 0.00 . 1 . . . . . 48 VAL HG1 . 52087 1 386 . 1 . 1 41 41 VAL HG21 H 1 0.952 0.01 . 1 . . . . . 48 VAL HG2 . 52087 1 387 . 1 . 1 41 41 VAL HG22 H 1 0.952 0.01 . 1 . . . . . 48 VAL HG2 . 52087 1 388 . 1 . 1 41 41 VAL HG23 H 1 0.952 0.01 . 1 . . . . . 48 VAL HG2 . 52087 1 389 . 1 . 1 41 41 VAL C C 13 173.900 0.00 . 1 . . . . . 48 VAL C . 52087 1 390 . 1 . 1 41 41 VAL CA C 13 62.815 0.15 . 1 . . . . . 48 VAL CA . 52087 1 391 . 1 . 1 41 41 VAL CB C 13 28.257 0.06 . 1 . . . . . 48 VAL CB . 52087 1 392 . 1 . 1 41 41 VAL CG1 C 13 20.227 0.06 . 1 . . . . . 48 VAL CG1 . 52087 1 393 . 1 . 1 41 41 VAL CG2 C 13 18.265 0.04 . 1 . . . . . 48 VAL CG2 . 52087 1 394 . 1 . 1 41 41 VAL N N 15 120.898 0.07 . 1 . . . . . 48 VAL N . 52087 1 395 . 1 . 1 42 42 GLY H H 1 9.215 0.01 . 1 . . . . . 49 GLY H . 52087 1 396 . 1 . 1 42 42 GLY HA2 H 1 4.468 0.00 . 1 . . . . . 49 GLY HA2 . 52087 1 397 . 1 . 1 42 42 GLY HA3 H 1 3.492 0.00 . 1 . . . . . 49 GLY HA3 . 52087 1 398 . 1 . 1 42 42 GLY C C 13 171.344 0.00 . 1 . . . . . 49 GLY C . 52087 1 399 . 1 . 1 42 42 GLY CA C 13 41.568 0.06 . 1 . . . . . 49 GLY CA . 52087 1 400 . 1 . 1 42 42 GLY N N 15 117.525 0.02 . 1 . . . . . 49 GLY N . 52087 1 401 . 1 . 1 43 43 ASP H H 1 7.981 0.00 . 1 . . . . . 50 ASP H . 52087 1 402 . 1 . 1 43 43 ASP HA H 1 4.667 0.03 . 1 . . . . . 50 ASP HA . 52087 1 403 . 1 . 1 43 43 ASP HB2 H 1 2.961 0.01 . 1 . . . . . 50 ASP HB2 . 52087 1 404 . 1 . 1 43 43 ASP HB3 H 1 2.670 0.02 . 1 . . . . . 50 ASP HB3 . 52087 1 405 . 1 . 1 43 43 ASP C C 13 172.744 0.00 . 1 . . . . . 50 ASP C . 52087 1 406 . 1 . 1 43 43 ASP CA C 13 51.976 0.41 . 1 . . . . . 50 ASP CA . 52087 1 407 . 1 . 1 43 43 ASP CB C 13 38.289 0.28 . 1 . . . . . 50 ASP CB . 52087 1 408 . 1 . 1 43 43 ASP N N 15 122.127 0.11 . 1 . . . . . 50 ASP N . 52087 1 409 . 1 . 1 44 44 LYS H H 1 8.482 0.01 . 1 . . . . . 51 LYS H . 52087 1 410 . 1 . 1 44 44 LYS HA H 1 4.850 0.01 . 1 . . . . . 51 LYS HA . 52087 1 411 . 1 . 1 44 44 LYS HB2 H 1 1.826 0.02 . 1 . . . . . 51 LYS HB2 . 52087 1 412 . 1 . 1 44 44 LYS HB3 H 1 1.826 0.02 . 1 . . . . . 51 LYS HB3 . 52087 1 413 . 1 . 1 44 44 LYS HG2 H 1 1.460 0.04 . 1 . . . . . 51 LYS HG2 . 52087 1 414 . 1 . 1 44 44 LYS HG3 H 1 1.470 0.03 . 1 . . . . . 51 LYS HG3 . 52087 1 415 . 1 . 1 44 44 LYS HD2 H 1 1.667 0.01 . 1 . . . . . 51 LYS HD2 . 52087 1 416 . 1 . 1 44 44 LYS HD3 H 1 1.670 0.01 . 1 . . . . . 51 LYS HD3 . 52087 1 417 . 1 . 1 44 44 LYS HE2 H 1 2.952 0.03 . 1 . . . . . 51 LYS HE2 . 52087 1 418 . 1 . 1 44 44 LYS HE3 H 1 2.949 0.03 . 1 . . . . . 51 LYS HE3 . 52087 1 419 . 1 . 1 44 44 LYS C C 13 173.333 0.00 . 1 . . . . . 51 LYS C . 52087 1 420 . 1 . 1 44 44 LYS CA C 13 52.708 0.06 . 1 . . . . . 51 LYS CA . 52087 1 421 . 1 . 1 44 44 LYS CB C 13 29.729 0.16 . 1 . . . . . 51 LYS CB . 52087 1 422 . 1 . 1 44 44 LYS CG C 13 22.068 0.06 . 1 . . . . . 51 LYS CG . 52087 1 423 . 1 . 1 44 44 LYS CD C 13 26.002 0.04 . 1 . . . . . 51 LYS CD . 52087 1 424 . 1 . 1 44 44 LYS CE C 13 39.180 0.02 . 1 . . . . . 51 LYS CE . 52087 1 425 . 1 . 1 44 44 LYS N N 15 121.363 0.10 . 1 . . . . . 51 LYS N . 52087 1 426 . 1 . 1 45 45 VAL H H 1 9.176 0.00 . 1 . . . . . 52 VAL H . 52087 1 427 . 1 . 1 45 45 VAL HA H 1 5.069 0.02 . 1 . . . . . 52 VAL HA . 52087 1 428 . 1 . 1 45 45 VAL HB H 1 1.772 0.01 . 1 . . . . . 52 VAL HB . 52087 1 429 . 1 . 1 45 45 VAL HG11 H 1 0.702 0.02 . 1 . . . . . 52 VAL HG1 . 52087 1 430 . 1 . 1 45 45 VAL HG12 H 1 0.702 0.02 . 1 . . . . . 52 VAL HG1 . 52087 1 431 . 1 . 1 45 45 VAL HG13 H 1 0.702 0.02 . 1 . . . . . 52 VAL HG1 . 52087 1 432 . 1 . 1 45 45 VAL HG21 H 1 0.673 0.00 . 1 . . . . . 52 VAL HG2 . 52087 1 433 . 1 . 1 45 45 VAL HG22 H 1 0.673 0.00 . 1 . . . . . 52 VAL HG2 . 52087 1 434 . 1 . 1 45 45 VAL HG23 H 1 0.673 0.00 . 1 . . . . . 52 VAL HG2 . 52087 1 435 . 1 . 1 45 45 VAL C C 13 171.905 0.00 . 1 . . . . . 52 VAL C . 52087 1 436 . 1 . 1 45 45 VAL CA C 13 55.255 0.06 . 1 . . . . . 52 VAL CA . 52087 1 437 . 1 . 1 45 45 VAL CB C 13 32.707 0.05 . 1 . . . . . 52 VAL CB . 52087 1 438 . 1 . 1 45 45 VAL CG1 C 13 19.509 0.02 . 1 . . . . . 52 VAL CG1 . 52087 1 439 . 1 . 1 45 45 VAL CG2 C 13 16.512 0.04 . 1 . . . . . 52 VAL CG2 . 52087 1 440 . 1 . 1 45 45 VAL N N 15 118.352 0.02 . 1 . . . . . 52 VAL N . 52087 1 441 . 1 . 1 46 46 GLN H H 1 7.906 0.01 . 1 . . . . . 53 GLN H . 52087 1 442 . 1 . 1 46 46 GLN HA H 1 4.872 0.02 . 1 . . . . . 53 GLN HA . 52087 1 443 . 1 . 1 46 46 GLN HB2 H 1 2.090 0.01 . 1 . . . . . 53 GLN HB2 . 52087 1 444 . 1 . 1 46 46 GLN HB3 H 1 1.889 0.02 . 1 . . . . . 53 GLN HB3 . 52087 1 445 . 1 . 1 46 46 GLN HG2 H 1 2.361 0.01 . 1 . . . . . 53 GLN HG2 . 52087 1 446 . 1 . 1 46 46 GLN HG3 H 1 2.353 0.01 . 1 . . . . . 53 GLN HG3 . 52087 1 447 . 1 . 1 46 46 GLN C C 13 172.223 0.00 . 1 . . . . . 53 GLN C . 52087 1 448 . 1 . 1 46 46 GLN CA C 13 49.805 0.26 . 1 . . . . . 53 GLN CA . 52087 1 449 . 1 . 1 46 46 GLN CB C 13 29.344 0.17 . 1 . . . . . 53 GLN CB . 52087 1 450 . 1 . 1 46 46 GLN CG C 13 30.712 0.10 . 1 . . . . . 53 GLN CG . 52087 1 451 . 1 . 1 46 46 GLN N N 15 121.837 0.04 . 1 . . . . . 53 GLN N . 52087 1 452 . 1 . 1 47 47 LYS H H 1 7.934 0.01 . 1 . . . . . 54 LYS H . 52087 1 453 . 1 . 1 47 47 LYS HA H 1 3.591 0.01 . 1 . . . . . 54 LYS HA . 52087 1 454 . 1 . 1 47 47 LYS HB2 H 1 1.614 0.03 . 1 . . . . . 54 LYS HB2 . 52087 1 455 . 1 . 1 47 47 LYS HB3 H 1 1.483 0.02 . 1 . . . . . 54 LYS HB3 . 52087 1 456 . 1 . 1 47 47 LYS HG2 H 1 1.090 0.00 . 1 . . . . . 54 LYS HG2 . 52087 1 457 . 1 . 1 47 47 LYS HG3 H 1 1.090 0.00 . 1 . . . . . 54 LYS HG3 . 52087 1 458 . 1 . 1 47 47 LYS HD2 H 1 1.571 0.01 . 1 . . . . . 54 LYS HD2 . 52087 1 459 . 1 . 1 47 47 LYS HD3 H 1 1.563 0.00 . 1 . . . . . 54 LYS HD3 . 52087 1 460 . 1 . 1 47 47 LYS HE2 H 1 2.548 0.00 . 1 . . . . . 54 LYS HE2 . 52087 1 461 . 1 . 1 47 47 LYS HE3 H 1 2.548 0.00 . 1 . . . . . 54 LYS HE3 . 52087 1 462 . 1 . 1 47 47 LYS C C 13 174.725 0.00 . 1 . . . . . 54 LYS C . 52087 1 463 . 1 . 1 47 47 LYS CA C 13 55.413 0.08 . 1 . . . . . 54 LYS CA . 52087 1 464 . 1 . 1 47 47 LYS CB C 13 29.187 0.06 . 1 . . . . . 54 LYS CB . 52087 1 465 . 1 . 1 47 47 LYS CG C 13 22.182 0.05 . 1 . . . . . 54 LYS CG . 52087 1 466 . 1 . 1 47 47 LYS CD C 13 26.574 0.05 . 1 . . . . . 54 LYS CD . 52087 1 467 . 1 . 1 47 47 LYS CE C 13 39.086 0.00 . 1 . . . . . 54 LYS CE . 52087 1 468 . 1 . 1 47 47 LYS N N 15 123.012 0.13 . 1 . . . . . 54 LYS N . 52087 1 469 . 1 . 1 48 48 GLY H H 1 9.272 0.00 . 1 . . . . . 55 GLY H . 52087 1 470 . 1 . 1 48 48 GLY HA2 H 1 4.338 0.01 . 1 . . . . . 55 GLY HA2 . 52087 1 471 . 1 . 1 48 48 GLY HA3 H 1 3.649 0.01 . 1 . . . . . 55 GLY HA3 . 52087 1 472 . 1 . 1 48 48 GLY C C 13 169.815 0.00 . 1 . . . . . 55 GLY C . 52087 1 473 . 1 . 1 48 48 GLY CA C 13 41.917 0.28 . 1 . . . . . 55 GLY CA . 52087 1 474 . 1 . 1 48 48 GLY N N 15 115.340 0.05 . 1 . . . . . 55 GLY N . 52087 1 475 . 1 . 1 49 49 GLN H H 1 7.981 0.01 . 1 . . . . . 56 GLN H . 52087 1 476 . 1 . 1 49 49 GLN HA H 1 4.210 0.04 . 1 . . . . . 56 GLN HA . 52087 1 477 . 1 . 1 49 49 GLN HB2 H 1 2.193 0.06 . 1 . . . . . 56 GLN HB2 . 52087 1 478 . 1 . 1 49 49 GLN HB3 H 1 1.966 0.03 . 1 . . . . . 56 GLN HB3 . 52087 1 479 . 1 . 1 49 49 GLN HG2 H 1 2.408 0.02 . 1 . . . . . 56 GLN HG2 . 52087 1 480 . 1 . 1 49 49 GLN HG3 H 1 2.408 0.02 . 1 . . . . . 56 GLN HG3 . 52087 1 481 . 1 . 1 49 49 GLN C C 13 173.302 0.00 . 1 . . . . . 56 GLN C . 52087 1 482 . 1 . 1 49 49 GLN CA C 13 52.646 0.09 . 1 . . . . . 56 GLN CA . 52087 1 483 . 1 . 1 49 49 GLN CB C 13 27.303 0.16 . 1 . . . . . 56 GLN CB . 52087 1 484 . 1 . 1 49 49 GLN CG C 13 29.525 0.09 . 1 . . . . . 56 GLN CG . 52087 1 485 . 1 . 1 49 49 GLN N N 15 122.617 0.08 . 1 . . . . . 56 GLN N . 52087 1 486 . 1 . 1 50 50 VAL H H 1 8.694 0.00 . 1 . . . . . 57 VAL H . 52087 1 487 . 1 . 1 50 50 VAL HA H 1 3.789 0.07 . 1 . . . . . 57 VAL HA . 52087 1 488 . 1 . 1 50 50 VAL HB H 1 1.627 0.02 . 1 . . . . . 57 VAL HB . 52087 1 489 . 1 . 1 50 50 VAL HG11 H 1 0.796 0.00 . 1 . . . . . 57 VAL HG1 . 52087 1 490 . 1 . 1 50 50 VAL HG12 H 1 0.796 0.00 . 1 . . . . . 57 VAL HG1 . 52087 1 491 . 1 . 1 50 50 VAL HG13 H 1 0.796 0.00 . 1 . . . . . 57 VAL HG1 . 52087 1 492 . 1 . 1 50 50 VAL HG21 H 1 0.816 0.02 . 1 . . . . . 57 VAL HG2 . 52087 1 493 . 1 . 1 50 50 VAL HG22 H 1 0.816 0.02 . 1 . . . . . 57 VAL HG2 . 52087 1 494 . 1 . 1 50 50 VAL HG23 H 1 0.816 0.02 . 1 . . . . . 57 VAL HG2 . 52087 1 495 . 1 . 1 50 50 VAL C C 13 171.642 0.00 . 1 . . . . . 57 VAL C . 52087 1 496 . 1 . 1 50 50 VAL CA C 13 61.353 0.32 . 1 . . . . . 57 VAL CA . 52087 1 497 . 1 . 1 50 50 VAL CB C 13 28.425 0.27 . 1 . . . . . 57 VAL CB . 52087 1 498 . 1 . 1 50 50 VAL N N 15 128.290 0.02 . 1 . . . . . 57 VAL N . 52087 1 499 . 1 . 1 51 51 LEU H H 1 8.388 0.01 . 1 . . . . . 58 LEU H . 52087 1 500 . 1 . 1 51 51 LEU HA H 1 4.216 0.01 . 1 . . . . . 58 LEU HA . 52087 1 501 . 1 . 1 51 51 LEU HB2 H 1 1.237 0.02 . 1 . . . . . 58 LEU HB2 . 52087 1 502 . 1 . 1 51 51 LEU HB3 H 1 0.825 0.03 . 1 . . . . . 58 LEU HB3 . 52087 1 503 . 1 . 1 51 51 LEU HG H 1 1.634 0.01 . 1 . . . . . 58 LEU HG . 52087 1 504 . 1 . 1 51 51 LEU HD11 H 1 0.462 0.02 . 1 . . . . . 58 LEU HD1 . 52087 1 505 . 1 . 1 51 51 LEU HD12 H 1 0.462 0.02 . 1 . . . . . 58 LEU HD1 . 52087 1 506 . 1 . 1 51 51 LEU HD13 H 1 0.462 0.02 . 1 . . . . . 58 LEU HD1 . 52087 1 507 . 1 . 1 51 51 LEU HD21 H 1 0.374 0.01 . 1 . . . . . 58 LEU HD2 . 52087 1 508 . 1 . 1 51 51 LEU HD22 H 1 0.374 0.01 . 1 . . . . . 58 LEU HD2 . 52087 1 509 . 1 . 1 51 51 LEU HD23 H 1 0.374 0.01 . 1 . . . . . 58 LEU HD2 . 52087 1 510 . 1 . 1 51 51 LEU C C 13 172.357 0.00 . 1 . . . . . 58 LEU C . 52087 1 511 . 1 . 1 51 51 LEU CA C 13 51.484 0.28 . 1 . . . . . 58 LEU CA . 52087 1 512 . 1 . 1 51 51 LEU CB C 13 42.211 0.12 . 1 . . . . . 58 LEU CB . 52087 1 513 . 1 . 1 51 51 LEU CG C 13 23.226 0.32 . 1 . . . . . 58 LEU CG . 52087 1 514 . 1 . 1 51 51 LEU CD1 C 13 23.007 0.03 . 1 . . . . . 58 LEU CD1 . 52087 1 515 . 1 . 1 51 51 LEU CD2 C 13 19.560 0.04 . 1 . . . . . 58 LEU CD2 . 52087 1 516 . 1 . 1 51 51 LEU N N 15 122.786 0.10 . 1 . . . . . 58 LEU N . 52087 1 517 . 1 . 1 52 52 CYS H H 1 7.387 0.00 . 1 . . . . . 59 CYS H . 52087 1 518 . 1 . 1 52 52 CYS HA H 1 4.742 0.02 . 1 . . . . . 59 CYS HA . 52087 1 519 . 1 . 1 52 52 CYS HB2 H 1 3.511 0.01 . 1 . . . . . 59 CYS HB2 . 52087 1 520 . 1 . 1 52 52 CYS HB3 H 1 3.104 0.01 . 1 . . . . . 59 CYS HB3 . 52087 1 521 . 1 . 1 52 52 CYS C C 13 167.355 0.00 . 1 . . . . . 59 CYS C . 52087 1 522 . 1 . 1 52 52 CYS CA C 13 53.368 0.11 . 1 . . . . . 59 CYS CA . 52087 1 523 . 1 . 1 52 52 CYS CB C 13 27.116 0.34 . 1 . . . . . 59 CYS CB . 52087 1 524 . 1 . 1 52 52 CYS N N 15 109.084 0.03 . 1 . . . . . 59 CYS N . 52087 1 525 . 1 . 1 53 53 ILE H H 1 8.574 0.00 . 1 . . . . . 60 ILE H . 52087 1 526 . 1 . 1 53 53 ILE HA H 1 5.230 0.02 . 1 . . . . . 60 ILE HA . 52087 1 527 . 1 . 1 53 53 ILE HB H 1 1.724 0.01 . 1 . . . . . 60 ILE HB . 52087 1 528 . 1 . 1 53 53 ILE HG12 H 1 1.594 0.02 . 1 . . . . . 60 ILE HG12 . 52087 1 529 . 1 . 1 53 53 ILE HG13 H 1 1.130 0.01 . 1 . . . . . 60 ILE HG13 . 52087 1 530 . 1 . 1 53 53 ILE HG21 H 1 0.961 0.01 . 1 . . . . . 60 ILE HG2 . 52087 1 531 . 1 . 1 53 53 ILE HG22 H 1 0.961 0.01 . 1 . . . . . 60 ILE HG2 . 52087 1 532 . 1 . 1 53 53 ILE HG23 H 1 0.961 0.01 . 1 . . . . . 60 ILE HG2 . 52087 1 533 . 1 . 1 53 53 ILE HD11 H 1 0.984 0.01 . 1 . . . . . 60 ILE HD1 . 52087 1 534 . 1 . 1 53 53 ILE HD12 H 1 0.984 0.01 . 1 . . . . . 60 ILE HD1 . 52087 1 535 . 1 . 1 53 53 ILE HD13 H 1 0.984 0.01 . 1 . . . . . 60 ILE HD1 . 52087 1 536 . 1 . 1 53 53 ILE C C 13 172.759 0.00 . 1 . . . . . 60 ILE C . 52087 1 537 . 1 . 1 53 53 ILE CA C 13 55.334 0.20 . 1 . . . . . 60 ILE CA . 52087 1 538 . 1 . 1 53 53 ILE CB C 13 39.621 0.06 . 1 . . . . . 60 ILE CB . 52087 1 539 . 1 . 1 53 53 ILE CG1 C 13 25.997 0.24 . 1 . . . . . 60 ILE CG1 . 52087 1 540 . 1 . 1 53 53 ILE CG2 C 13 15.684 0.04 . 1 . . . . . 60 ILE CG2 . 52087 1 541 . 1 . 1 53 53 ILE CD1 C 13 10.727 0.05 . 1 . . . . . 60 ILE CD1 . 52087 1 542 . 1 . 1 53 53 ILE N N 15 118.905 0.03 . 1 . . . . . 60 ILE N . 52087 1 543 . 1 . 1 54 54 VAL H H 1 8.842 0.00 . 1 . . . . . 61 VAL H . 52087 1 544 . 1 . 1 54 54 VAL HA H 1 4.908 0.02 . 1 . . . . . 61 VAL HA . 52087 1 545 . 1 . 1 54 54 VAL HB H 1 1.895 0.01 . 1 . . . . . 61 VAL HB . 52087 1 546 . 1 . 1 54 54 VAL HG11 H 1 0.798 0.00 . 1 . . . . . 61 VAL HG1 . 52087 1 547 . 1 . 1 54 54 VAL HG12 H 1 0.798 0.00 . 1 . . . . . 61 VAL HG1 . 52087 1 548 . 1 . 1 54 54 VAL HG13 H 1 0.798 0.00 . 1 . . . . . 61 VAL HG1 . 52087 1 549 . 1 . 1 54 54 VAL HG21 H 1 0.798 0.00 . 1 . . . . . 61 VAL HG2 . 52087 1 550 . 1 . 1 54 54 VAL HG22 H 1 0.798 0.00 . 1 . . . . . 61 VAL HG2 . 52087 1 551 . 1 . 1 54 54 VAL HG23 H 1 0.798 0.00 . 1 . . . . . 61 VAL HG2 . 52087 1 552 . 1 . 1 54 54 VAL C C 13 172.931 0.00 . 1 . . . . . 61 VAL C . 52087 1 553 . 1 . 1 54 54 VAL CA C 13 58.789 0.07 . 1 . . . . . 61 VAL CA . 52087 1 554 . 1 . 1 54 54 VAL CB C 13 31.568 0.13 . 1 . . . . . 61 VAL CB . 52087 1 555 . 1 . 1 54 54 VAL CG1 C 13 18.151 0.12 . 1 . . . . . 61 VAL CG# . 52087 1 556 . 1 . 1 54 54 VAL CG2 C 13 18.151 0.12 . 1 . . . . . 61 VAL CG# . 52087 1 557 . 1 . 1 54 54 VAL N N 15 124.205 0.03 . 1 . . . . . 61 VAL N . 52087 1 558 . 1 . 1 55 55 GLU H H 1 9.737 0.01 . 1 . . . . . 62 GLU H . 52087 1 559 . 1 . 1 55 55 GLU HA H 1 5.307 0.00 . 1 . . . . . 62 GLU HA . 52087 1 560 . 1 . 1 55 55 GLU HB2 H 1 2.273 0.03 . 1 . . . . . 62 GLU HB2 . 52087 1 561 . 1 . 1 55 55 GLU HB3 H 1 2.171 0.01 . 1 . . . . . 62 GLU HB3 . 52087 1 562 . 1 . 1 55 55 GLU HG2 H 1 1.933 0.02 . 1 . . . . . 62 GLU HG2 . 52087 1 563 . 1 . 1 55 55 GLU HG3 H 1 1.933 0.02 . 1 . . . . . 62 GLU HG3 . 52087 1 564 . 1 . 1 55 55 GLU C C 13 172.830 0.00 . 1 . . . . . 62 GLU C . 52087 1 565 . 1 . 1 55 55 GLU CA C 13 52.034 0.07 . 1 . . . . . 62 GLU CA . 52087 1 566 . 1 . 1 55 55 GLU CB C 13 29.127 0.30 . 1 . . . . . 62 GLU CB . 52087 1 567 . 1 . 1 55 55 GLU CG C 13 33.199 0.16 . 1 . . . . . 62 GLU CG . 52087 1 568 . 1 . 1 55 55 GLU N N 15 133.280 0.04 . 1 . . . . . 62 GLU N . 52087 1 569 . 1 . 1 56 56 ALA H H 1 8.851 0.00 . 1 . . . . . 63 ALA H . 52087 1 570 . 1 . 1 56 56 ALA HA H 1 4.725 0.01 . 1 . . . . . 63 ALA HA . 52087 1 571 . 1 . 1 56 56 ALA HB1 H 1 1.515 0.01 . 1 . . . . . 63 ALA HB . 52087 1 572 . 1 . 1 56 56 ALA HB2 H 1 1.515 0.01 . 1 . . . . . 63 ALA HB . 52087 1 573 . 1 . 1 56 56 ALA HB3 H 1 1.515 0.01 . 1 . . . . . 63 ALA HB . 52087 1 574 . 1 . 1 56 56 ALA C C 13 174.456 0.01 . 1 . . . . . 63 ALA C . 52087 1 575 . 1 . 1 56 56 ALA CA C 13 49.271 0.09 . 1 . . . . . 63 ALA CA . 52087 1 576 . 1 . 1 56 56 ALA CB C 13 19.181 0.10 . 1 . . . . . 63 ALA CB . 52087 1 577 . 1 . 1 56 56 ALA N N 15 131.011 0.02 . 1 . . . . . 63 ALA N . 52087 1 578 . 1 . 1 57 57 MET H H 1 9.524 0.01 . 1 . . . . . 64 MET H . 52087 1 579 . 1 . 1 57 57 MET HA H 1 4.489 0.05 . 1 . . . . . 64 MET HA . 52087 1 580 . 1 . 1 57 57 MET HG2 H 1 2.443 0.02 . 1 . . . . . 64 MET HG2 . 52087 1 581 . 1 . 1 57 57 MET CA C 13 53.352 0.09 . 1 . . . . . 64 MET CA . 52087 1 582 . 1 . 1 57 57 MET CB C 13 33.779 0.00 . 1 . . . . . 64 MET CB . 52087 1 583 . 1 . 1 57 57 MET CG C 13 32.044 0.34 . 1 . . . . . 64 MET CG . 52087 1 584 . 1 . 1 57 57 MET N N 15 122.867 0.06 . 1 . . . . . 64 MET N . 52087 1 585 . 1 . 1 58 58 LYS H H 1 8.195 0.01 . 1 . . . . . 65 LYS H . 52087 1 586 . 1 . 1 58 58 LYS HA H 1 4.450 0.05 . 1 . . . . . 65 LYS HA . 52087 1 587 . 1 . 1 58 58 LYS HB2 H 1 2.342 0.03 . 1 . . . . . 65 LYS HB2 . 52087 1 588 . 1 . 1 58 58 LYS HB3 H 1 1.557 0.01 . 1 . . . . . 65 LYS HB3 . 52087 1 589 . 1 . 1 58 58 LYS HE2 H 1 3.559 0.00 . 1 . . . . . 65 LYS HE . 52087 1 590 . 1 . 1 58 58 LYS HE3 H 1 3.559 0.00 . 1 . . . . . 65 LYS HE . 52087 1 591 . 1 . 1 58 58 LYS C C 13 171.919 0.00 . 1 . . . . . 65 LYS C . 52087 1 592 . 1 . 1 58 58 LYS CA C 13 49.664 0.17 . 1 . . . . . 65 LYS CA . 52087 1 593 . 1 . 1 58 58 LYS CE C 13 36.677 0.00 . 1 . . . . . 65 LYS CE . 52087 1 594 . 1 . 1 58 58 LYS N N 15 120.703 0.03 . 1 . . . . . 65 LYS N . 52087 1 595 . 1 . 1 59 59 LEU H H 1 7.758 0.02 . 1 . . . . . 66 LEU H . 52087 1 596 . 1 . 1 59 59 LEU HA H 1 4.637 0.01 . 1 . . . . . 66 LEU HA . 52087 1 597 . 1 . 1 59 59 LEU HB2 H 1 1.849 0.01 . 1 . . . . . 66 LEU HB2 . 52087 1 598 . 1 . 1 59 59 LEU HB3 H 1 1.469 0.01 . 1 . . . . . 66 LEU HB3 . 52087 1 599 . 1 . 1 59 59 LEU HG H 1 1.661 0.01 . 1 . . . . . 66 LEU HG . 52087 1 600 . 1 . 1 59 59 LEU HD11 H 1 0.914 0.00 . 1 . . . . . 66 LEU HD1 . 52087 1 601 . 1 . 1 59 59 LEU HD12 H 1 0.914 0.00 . 1 . . . . . 66 LEU HD1 . 52087 1 602 . 1 . 1 59 59 LEU HD13 H 1 0.914 0.00 . 1 . . . . . 66 LEU HD1 . 52087 1 603 . 1 . 1 59 59 LEU HD21 H 1 0.911 0.01 . 1 . . . . . 66 LEU HD2 . 52087 1 604 . 1 . 1 59 59 LEU HD22 H 1 0.911 0.01 . 1 . . . . . 66 LEU HD2 . 52087 1 605 . 1 . 1 59 59 LEU HD23 H 1 0.911 0.01 . 1 . . . . . 66 LEU HD2 . 52087 1 606 . 1 . 1 59 59 LEU C C 13 172.807 0.00 . 1 . . . . . 66 LEU C . 52087 1 607 . 1 . 1 59 59 LEU CA C 13 50.696 0.12 . 1 . . . . . 66 LEU CA . 52087 1 608 . 1 . 1 59 59 LEU CB C 13 40.934 0.11 . 1 . . . . . 66 LEU CB . 52087 1 609 . 1 . 1 59 59 LEU CG C 13 23.826 0.15 . 1 . . . . . 66 LEU CG . 52087 1 610 . 1 . 1 59 59 LEU CD1 C 13 22.195 0.09 . 1 . . . . . 66 LEU CD1 . 52087 1 611 . 1 . 1 59 59 LEU CD2 C 13 20.501 0.04 . 1 . . . . . 66 LEU CD2 . 52087 1 612 . 1 . 1 59 59 LEU N N 15 122.858 0.11 . 1 . . . . . 66 LEU N . 52087 1 613 . 1 . 1 60 60 MET H H 1 8.569 0.00 . 1 . . . . . 67 MET H . 52087 1 614 . 1 . 1 60 60 MET HA H 1 4.435 0.01 . 1 . . . . . 67 MET HA . 52087 1 615 . 1 . 1 60 60 MET HB2 H 1 2.230 0.02 . 1 . . . . . 67 MET HB2 . 52087 1 616 . 1 . 1 60 60 MET HB3 H 1 1.764 0.01 . 1 . . . . . 67 MET HB3 . 52087 1 617 . 1 . 1 60 60 MET HG2 H 1 2.751 0.00 . 1 . . . . . 67 MET HG2 . 52087 1 618 . 1 . 1 60 60 MET HG3 H 1 2.558 0.02 . 1 . . . . . 67 MET HG3 . 52087 1 619 . 1 . 1 60 60 MET C C 13 172.051 0.00 . 1 . . . . . 67 MET C . 52087 1 620 . 1 . 1 60 60 MET CA C 13 50.729 0.28 . 1 . . . . . 67 MET CA . 52087 1 621 . 1 . 1 60 60 MET CB C 13 28.292 0.35 . 1 . . . . . 67 MET CB . 52087 1 622 . 1 . 1 60 60 MET CG C 13 29.303 0.27 . 1 . . . . . 67 MET CG . 52087 1 623 . 1 . 1 60 60 MET N N 15 121.525 0.19 . 1 . . . . . 67 MET N . 52087 1 624 . 1 . 1 61 61 ASN H H 1 7.830 0.01 . 1 . . . . . 68 ASN H . 52087 1 625 . 1 . 1 61 61 ASN HA H 1 4.696 0.03 . 1 . . . . . 68 ASN HA . 52087 1 626 . 1 . 1 61 61 ASN HB2 H 1 3.310 0.01 . 1 . . . . . 68 ASN HB2 . 52087 1 627 . 1 . 1 61 61 ASN HB3 H 1 2.414 0.01 . 1 . . . . . 68 ASN HB3 . 52087 1 628 . 1 . 1 61 61 ASN C C 13 170.917 0.00 . 1 . . . . . 68 ASN C . 52087 1 629 . 1 . 1 61 61 ASN CA C 13 50.595 0.09 . 1 . . . . . 68 ASN CA . 52087 1 630 . 1 . 1 61 61 ASN CB C 13 36.968 0.22 . 1 . . . . . 68 ASN CB . 52087 1 631 . 1 . 1 61 61 ASN N N 15 122.465 0.03 . 1 . . . . . 68 ASN N . 52087 1 632 . 1 . 1 62 62 GLU H H 1 8.983 0.00 . 1 . . . . . 69 GLU H . 52087 1 633 . 1 . 1 62 62 GLU HA H 1 4.273 0.02 . 1 . . . . . 69 GLU HA . 52087 1 634 . 1 . 1 62 62 GLU HB2 H 1 1.991 0.00 . 1 . . . . . 69 GLU HB2 . 52087 1 635 . 1 . 1 62 62 GLU HB3 H 1 1.775 0.01 . 1 . . . . . 69 GLU HB3 . 52087 1 636 . 1 . 1 62 62 GLU HG2 H 1 2.392 0.01 . 1 . . . . . 69 GLU HG . 52087 1 637 . 1 . 1 62 62 GLU HG3 H 1 2.392 0.01 . 1 . . . . . 69 GLU HG . 52087 1 638 . 1 . 1 62 62 GLU C C 13 172.787 0.00 . 1 . . . . . 69 GLU C . 52087 1 639 . 1 . 1 62 62 GLU CA C 13 53.854 0.06 . 1 . . . . . 69 GLU CA . 52087 1 640 . 1 . 1 62 62 GLU CB C 13 26.740 0.18 . 1 . . . . . 69 GLU CB . 52087 1 641 . 1 . 1 62 62 GLU CG C 13 33.834 0.24 . 1 . . . . . 69 GLU CG . 52087 1 642 . 1 . 1 62 62 GLU N N 15 125.442 0.04 . 1 . . . . . 69 GLU N . 52087 1 643 . 1 . 1 63 63 ILE H H 1 8.320 0.00 . 1 . . . . . 70 ILE H . 52087 1 644 . 1 . 1 63 63 ILE HA H 1 4.264 0.01 . 1 . . . . . 70 ILE HA . 52087 1 645 . 1 . 1 63 63 ILE HB H 1 2.414 0.00 . 1 . . . . . 70 ILE HB . 52087 1 646 . 1 . 1 63 63 ILE HG12 H 1 1.638 0.01 . 1 . . . . . 70 ILE HG12 . 52087 1 647 . 1 . 1 63 63 ILE HG13 H 1 0.999 0.01 . 1 . . . . . 70 ILE HG13 . 52087 1 648 . 1 . 1 63 63 ILE HG21 H 1 0.698 0.01 . 1 . . . . . 70 ILE HG2 . 52087 1 649 . 1 . 1 63 63 ILE HG22 H 1 0.698 0.01 . 1 . . . . . 70 ILE HG2 . 52087 1 650 . 1 . 1 63 63 ILE HG23 H 1 0.698 0.01 . 1 . . . . . 70 ILE HG2 . 52087 1 651 . 1 . 1 63 63 ILE HD11 H 1 0.580 0.01 . 1 . . . . . 70 ILE HD1 . 52087 1 652 . 1 . 1 63 63 ILE HD12 H 1 0.580 0.01 . 1 . . . . . 70 ILE HD1 . 52087 1 653 . 1 . 1 63 63 ILE HD13 H 1 0.580 0.01 . 1 . . . . . 70 ILE HD1 . 52087 1 654 . 1 . 1 63 63 ILE C C 13 171.914 0.00 . 1 . . . . . 70 ILE C . 52087 1 655 . 1 . 1 63 63 ILE CA C 13 55.188 0.04 . 1 . . . . . 70 ILE CA . 52087 1 656 . 1 . 1 63 63 ILE CB C 13 32.409 0.07 . 1 . . . . . 70 ILE CB . 52087 1 657 . 1 . 1 63 63 ILE CG1 C 13 25.467 0.23 . 1 . . . . . 70 ILE CG1 . 52087 1 658 . 1 . 1 63 63 ILE CG2 C 13 13.766 0.03 . 1 . . . . . 70 ILE CG2 . 52087 1 659 . 1 . 1 63 63 ILE CD1 C 13 6.675 0.06 . 1 . . . . . 70 ILE CD1 . 52087 1 660 . 1 . 1 63 63 ILE N N 15 126.591 0.03 . 1 . . . . . 70 ILE N . 52087 1 661 . 1 . 1 64 64 GLU H H 1 8.580 0.00 . 1 . . . . . 71 GLU H . 52087 1 662 . 1 . 1 64 64 GLU HA H 1 4.438 0.01 . 1 . . . . . 71 GLU HA . 52087 1 663 . 1 . 1 64 64 GLU HB2 H 1 1.754 0.02 . 1 . . . . . 71 GLU HB2 . 52087 1 664 . 1 . 1 64 64 GLU HB3 H 1 1.457 0.01 . 1 . . . . . 71 GLU HB3 . 52087 1 665 . 1 . 1 64 64 GLU HG2 H 1 2.038 0.02 . 1 . . . . . 71 GLU HG2 . 52087 1 666 . 1 . 1 64 64 GLU C C 13 173.794 0.00 . 1 . . . . . 71 GLU C . 52087 1 667 . 1 . 1 64 64 GLU CA C 13 50.979 0.04 . 1 . . . . . 71 GLU CA . 52087 1 668 . 1 . 1 64 64 GLU CB C 13 29.041 0.34 . 1 . . . . . 71 GLU CB . 52087 1 669 . 1 . 1 64 64 GLU CG C 13 32.989 0.08 . 1 . . . . . 71 GLU CG . 52087 1 670 . 1 . 1 64 64 GLU N N 15 127.088 0.02 . 1 . . . . . 71 GLU N . 52087 1 671 . 1 . 1 65 65 SER H H 1 8.836 0.00 . 1 . . . . . 72 SER H . 52087 1 672 . 1 . 1 65 65 SER HA H 1 3.964 0.01 . 1 . . . . . 72 SER HA . 52087 1 673 . 1 . 1 65 65 SER HB2 H 1 4.244 0.03 . 1 . . . . . 72 SER HB2 . 52087 1 674 . 1 . 1 65 65 SER HB3 H 1 3.661 0.02 . 1 . . . . . 72 SER HB3 . 52087 1 675 . 1 . 1 65 65 SER C C 13 174.067 0.00 . 1 . . . . . 72 SER C . 52087 1 676 . 1 . 1 65 65 SER CA C 13 56.297 0.09 . 1 . . . . . 72 SER CA . 52087 1 677 . 1 . 1 65 65 SER CB C 13 61.063 0.16 . 1 . . . . . 72 SER CB . 52087 1 678 . 1 . 1 65 65 SER N N 15 113.435 0.03 . 1 . . . . . 72 SER N . 52087 1 679 . 1 . 1 66 66 ASP H H 1 8.975 0.00 . 1 . . . . . 73 ASP H . 52087 1 680 . 1 . 1 66 66 ASP HA H 1 4.632 0.01 . 1 . . . . . 73 ASP HA . 52087 1 681 . 1 . 1 66 66 ASP HB2 H 1 2.438 0.02 . 1 . . . . . 73 ASP HB2 . 52087 1 682 . 1 . 1 66 66 ASP HB3 H 1 2.485 0.02 . 1 . . . . . 73 ASP HB3 . 52087 1 683 . 1 . 1 66 66 ASP C C 13 171.189 0.00 . 1 . . . . . 73 ASP C . 52087 1 684 . 1 . 1 66 66 ASP CA C 13 50.745 0.21 . 1 . . . . . 73 ASP CA . 52087 1 685 . 1 . 1 66 66 ASP CB C 13 36.215 0.06 . 1 . . . . . 73 ASP CB . 52087 1 686 . 1 . 1 66 66 ASP N N 15 126.644 0.04 . 1 . . . . . 73 ASP N . 52087 1 687 . 1 . 1 67 67 HIS H H 1 8.026 0.00 . 1 . . . . . 74 HIS H . 52087 1 688 . 1 . 1 67 67 HIS HA H 1 4.821 0.02 . 1 . . . . . 74 HIS HA . 52087 1 689 . 1 . 1 67 67 HIS HB2 H 1 2.862 0.00 . 1 . . . . . 74 HIS HB2 . 52087 1 690 . 1 . 1 67 67 HIS HB3 H 1 2.128 0.01 . 1 . . . . . 74 HIS HB3 . 52087 1 691 . 1 . 1 67 67 HIS C C 13 171.183 0.00 . 1 . . . . . 74 HIS C . 52087 1 692 . 1 . 1 67 67 HIS CA C 13 52.869 0.05 . 1 . . . . . 74 HIS CA . 52087 1 693 . 1 . 1 67 67 HIS CB C 13 32.997 0.12 . 1 . . . . . 74 HIS CB . 52087 1 694 . 1 . 1 67 67 HIS N N 15 116.423 0.03 . 1 . . . . . 74 HIS N . 52087 1 695 . 1 . 1 68 68 THR H H 1 8.616 0.01 . 1 . . . . . 75 THR H . 52087 1 696 . 1 . 1 68 68 THR HA H 1 4.747 0.01 . 1 . . . . . 75 THR HA . 52087 1 697 . 1 . 1 68 68 THR HB H 1 4.047 0.01 . 1 . . . . . 75 THR HB . 52087 1 698 . 1 . 1 68 68 THR HG21 H 1 1.390 0.01 . 1 . . . . . 75 THR HG2 . 52087 1 699 . 1 . 1 68 68 THR HG22 H 1 1.390 0.01 . 1 . . . . . 75 THR HG2 . 52087 1 700 . 1 . 1 68 68 THR HG23 H 1 1.390 0.01 . 1 . . . . . 75 THR HG2 . 52087 1 701 . 1 . 1 68 68 THR C C 13 170.936 0.00 . 1 . . . . . 75 THR C . 52087 1 702 . 1 . 1 68 68 THR CA C 13 57.437 0.09 . 1 . . . . . 75 THR CA . 52087 1 703 . 1 . 1 68 68 THR CB C 13 67.735 0.11 . 1 . . . . . 75 THR CB . 52087 1 704 . 1 . 1 68 68 THR CG2 C 13 19.288 0.03 . 1 . . . . . 75 THR CG2 . 52087 1 705 . 1 . 1 68 68 THR N N 15 119.811 0.02 . 1 . . . . . 75 THR N . 52087 1 706 . 1 . 1 69 69 GLY H H 1 8.447 0.01 . 1 . . . . . 76 GLY H . 52087 1 707 . 1 . 1 69 69 GLY HA2 H 1 4.378 0.01 . 1 . . . . . 76 GLY HA2 . 52087 1 708 . 1 . 1 69 69 GLY HA3 H 1 3.939 0.02 . 1 . . . . . 76 GLY HA3 . 52087 1 709 . 1 . 1 69 69 GLY C C 13 168.678 0.00 . 1 . . . . . 76 GLY C . 52087 1 710 . 1 . 1 69 69 GLY CA C 13 42.758 0.13 . 1 . . . . . 76 GLY CA . 52087 1 711 . 1 . 1 69 69 GLY N N 15 114.234 0.04 . 1 . . . . . 76 GLY N . 52087 1 712 . 1 . 1 70 70 THR H H 1 8.850 0.00 . 1 . . . . . 77 THR H . 52087 1 713 . 1 . 1 70 70 THR HA H 1 4.869 0.02 . 1 . . . . . 77 THR HA . 52087 1 714 . 1 . 1 70 70 THR HB H 1 3.873 0.02 . 1 . . . . . 77 THR HB . 52087 1 715 . 1 . 1 70 70 THR HG21 H 1 0.982 0.02 . 1 . . . . . 77 THR HG2 . 52087 1 716 . 1 . 1 70 70 THR HG22 H 1 0.982 0.02 . 1 . . . . . 77 THR HG2 . 52087 1 717 . 1 . 1 70 70 THR HG23 H 1 0.982 0.02 . 1 . . . . . 77 THR HG2 . 52087 1 718 . 1 . 1 70 70 THR C C 13 171.508 0.00 . 1 . . . . . 77 THR C . 52087 1 719 . 1 . 1 70 70 THR CA C 13 58.873 0.06 . 1 . . . . . 77 THR CA . 52087 1 720 . 1 . 1 70 70 THR CB C 13 67.686 0.12 . 1 . . . . . 77 THR CB . 52087 1 721 . 1 . 1 70 70 THR CG2 C 13 17.987 0.13 . 1 . . . . . 77 THR CG2 . 52087 1 722 . 1 . 1 70 70 THR N N 15 120.403 0.03 . 1 . . . . . 77 THR N . 52087 1 723 . 1 . 1 71 71 VAL H H 1 9.091 0.01 . 1 . . . . . 78 VAL H . 52087 1 724 . 1 . 1 71 71 VAL HA H 1 4.194 0.00 . 1 . . . . . 78 VAL HA . 52087 1 725 . 1 . 1 71 71 VAL HB H 1 2.310 0.02 . 1 . . . . . 78 VAL HB . 52087 1 726 . 1 . 1 71 71 VAL HG11 H 1 1.016 0.00 . 1 . . . . . 78 VAL HG1 . 52087 1 727 . 1 . 1 71 71 VAL HG12 H 1 1.016 0.00 . 1 . . . . . 78 VAL HG1 . 52087 1 728 . 1 . 1 71 71 VAL HG13 H 1 1.016 0.00 . 1 . . . . . 78 VAL HG1 . 52087 1 729 . 1 . 1 71 71 VAL HG21 H 1 0.899 0.01 . 1 . . . . . 78 VAL HG2 . 52087 1 730 . 1 . 1 71 71 VAL HG22 H 1 0.899 0.01 . 1 . . . . . 78 VAL HG2 . 52087 1 731 . 1 . 1 71 71 VAL HG23 H 1 0.899 0.01 . 1 . . . . . 78 VAL HG2 . 52087 1 732 . 1 . 1 71 71 VAL C C 13 172.715 0.00 . 1 . . . . . 78 VAL C . 52087 1 733 . 1 . 1 71 71 VAL CA C 13 61.197 0.10 . 1 . . . . . 78 VAL CA . 52087 1 734 . 1 . 1 71 71 VAL CB C 13 28.173 0.15 . 1 . . . . . 78 VAL CB . 52087 1 735 . 1 . 1 71 71 VAL CG2 C 13 20.190 0.42 . 1 . . . . . 78 VAL CG2 . 52087 1 736 . 1 . 1 71 71 VAL N N 15 127.825 0.04 . 1 . . . . . 78 VAL N . 52087 1 737 . 1 . 1 72 72 VAL H H 1 8.714 0.01 . 1 . . . . . 79 VAL H . 52087 1 738 . 1 . 1 72 72 VAL HA H 1 4.611 0.01 . 1 . . . . . 79 VAL HA . 52087 1 739 . 1 . 1 72 72 VAL HB H 1 2.187 0.01 . 1 . . . . . 79 VAL HB . 52087 1 740 . 1 . 1 72 72 VAL HG11 H 1 0.913 0.02 . 1 . . . . . 79 VAL HG1 . 52087 1 741 . 1 . 1 72 72 VAL HG12 H 1 0.913 0.02 . 1 . . . . . 79 VAL HG1 . 52087 1 742 . 1 . 1 72 72 VAL HG13 H 1 0.913 0.02 . 1 . . . . . 79 VAL HG1 . 52087 1 743 . 1 . 1 72 72 VAL HG21 H 1 0.742 0.01 . 1 . . . . . 79 VAL HG2 . 52087 1 744 . 1 . 1 72 72 VAL HG22 H 1 0.742 0.01 . 1 . . . . . 79 VAL HG2 . 52087 1 745 . 1 . 1 72 72 VAL HG23 H 1 0.742 0.01 . 1 . . . . . 79 VAL HG2 . 52087 1 746 . 1 . 1 72 72 VAL C C 13 172.470 0.00 . 1 . . . . . 79 VAL C . 52087 1 747 . 1 . 1 72 72 VAL CA C 13 58.456 0.14 . 1 . . . . . 79 VAL CA . 52087 1 748 . 1 . 1 72 72 VAL CB C 13 29.988 0.08 . 1 . . . . . 79 VAL CB . 52087 1 749 . 1 . 1 72 72 VAL CG1 C 13 18.734 0.37 . 1 . . . . . 79 VAL CG1 . 52087 1 750 . 1 . 1 72 72 VAL CG2 C 13 16.397 0.05 . 1 . . . . . 79 VAL CG2 . 52087 1 751 . 1 . 1 72 72 VAL N N 15 124.040 0.10 . 1 . . . . . 79 VAL N . 52087 1 752 . 1 . 1 73 73 ASP H H 1 7.671 0.01 . 1 . . . . . 80 ASP H . 52087 1 753 . 1 . 1 73 73 ASP HA H 1 4.803 0.02 . 1 . . . . . 80 ASP HA . 52087 1 754 . 1 . 1 73 73 ASP HB2 H 1 2.521 0.01 . 1 . . . . . 80 ASP HB2 . 52087 1 755 . 1 . 1 73 73 ASP HB3 H 1 2.269 0.01 . 1 . . . . . 80 ASP HB3 . 52087 1 756 . 1 . 1 73 73 ASP C C 13 171.335 0.00 . 1 . . . . . 80 ASP C . 52087 1 757 . 1 . 1 73 73 ASP CA C 13 51.533 0.15 . 1 . . . . . 80 ASP CA . 52087 1 758 . 1 . 1 73 73 ASP CB C 13 40.951 0.07 . 1 . . . . . 80 ASP CB . 52087 1 759 . 1 . 1 73 73 ASP N N 15 118.709 0.04 . 1 . . . . . 80 ASP N . 52087 1 760 . 1 . 1 74 74 ILE H H 1 8.556 0.00 . 1 . . . . . 81 ILE H . 52087 1 761 . 1 . 1 74 74 ILE HA H 1 4.281 0.01 . 1 . . . . . 81 ILE HA . 52087 1 762 . 1 . 1 74 74 ILE HB H 1 1.886 0.00 . 1 . . . . . 81 ILE HB . 52087 1 763 . 1 . 1 74 74 ILE HG12 H 1 1.634 0.02 . 1 . . . . . 81 ILE HG12 . 52087 1 764 . 1 . 1 74 74 ILE HG13 H 1 1.253 0.01 . 1 . . . . . 81 ILE HG13 . 52087 1 765 . 1 . 1 74 74 ILE HG21 H 1 0.936 0.00 . 1 . . . . . 81 ILE HG2 . 52087 1 766 . 1 . 1 74 74 ILE HG22 H 1 0.936 0.00 . 1 . . . . . 81 ILE HG2 . 52087 1 767 . 1 . 1 74 74 ILE HG23 H 1 0.936 0.00 . 1 . . . . . 81 ILE HG2 . 52087 1 768 . 1 . 1 74 74 ILE HD11 H 1 1.087 0.01 . 1 . . . . . 81 ILE HD1 . 52087 1 769 . 1 . 1 74 74 ILE HD12 H 1 1.087 0.01 . 1 . . . . . 81 ILE HD1 . 52087 1 770 . 1 . 1 74 74 ILE HD13 H 1 1.087 0.01 . 1 . . . . . 81 ILE HD1 . 52087 1 771 . 1 . 1 74 74 ILE C C 13 172.333 0.00 . 1 . . . . . 81 ILE C . 52087 1 772 . 1 . 1 74 74 ILE CA C 13 59.165 0.12 . 1 . . . . . 81 ILE CA . 52087 1 773 . 1 . 1 74 74 ILE CB C 13 35.856 0.10 . 1 . . . . . 81 ILE CB . 52087 1 774 . 1 . 1 74 74 ILE CG1 C 13 23.905 0.09 . 1 . . . . . 81 ILE CG1 . 52087 1 775 . 1 . 1 74 74 ILE CG2 C 13 13.433 0.04 . 1 . . . . . 81 ILE CG2 . 52087 1 776 . 1 . 1 74 74 ILE CD1 C 13 11.055 0.06 . 1 . . . . . 81 ILE CD1 . 52087 1 777 . 1 . 1 74 74 ILE N N 15 126.366 0.02 . 1 . . . . . 81 ILE N . 52087 1 778 . 1 . 1 75 75 VAL H H 1 7.569 0.00 . 1 . . . . . 82 VAL H . 52087 1 779 . 1 . 1 75 75 VAL HA H 1 4.094 0.01 . 1 . . . . . 82 VAL HA . 52087 1 780 . 1 . 1 75 75 VAL HB H 1 1.980 0.01 . 1 . . . . . 82 VAL HB . 52087 1 781 . 1 . 1 75 75 VAL HG11 H 1 0.644 0.01 . 1 . . . . . 82 VAL HG1 . 52087 1 782 . 1 . 1 75 75 VAL HG12 H 1 0.644 0.01 . 1 . . . . . 82 VAL HG1 . 52087 1 783 . 1 . 1 75 75 VAL HG13 H 1 0.644 0.01 . 1 . . . . . 82 VAL HG1 . 52087 1 784 . 1 . 1 75 75 VAL HG21 H 1 0.348 0.01 . 1 . . . . . 82 VAL HG2 . 52087 1 785 . 1 . 1 75 75 VAL HG22 H 1 0.348 0.01 . 1 . . . . . 82 VAL HG2 . 52087 1 786 . 1 . 1 75 75 VAL HG23 H 1 0.348 0.01 . 1 . . . . . 82 VAL HG2 . 52087 1 787 . 1 . 1 75 75 VAL C C 13 171.906 0.00 . 1 . . . . . 82 VAL C . 52087 1 788 . 1 . 1 75 75 VAL CA C 13 58.853 0.13 . 1 . . . . . 82 VAL CA . 52087 1 789 . 1 . 1 75 75 VAL CB C 13 28.611 0.14 . 1 . . . . . 82 VAL CB . 52087 1 790 . 1 . 1 75 75 VAL CG1 C 13 19.409 0.02 . 1 . . . . . 82 VAL CG1 . 52087 1 791 . 1 . 1 75 75 VAL CG2 C 13 16.121 0.03 . 1 . . . . . 82 VAL CG2 . 52087 1 792 . 1 . 1 75 75 VAL N N 15 120.801 0.04 . 1 . . . . . 82 VAL N . 52087 1 793 . 1 . 1 76 76 ALA H H 1 6.441 0.00 . 1 . . . . . 83 ALA H . 52087 1 794 . 1 . 1 76 76 ALA HA H 1 4.306 0.01 . 1 . . . . . 83 ALA HA . 52087 1 795 . 1 . 1 76 76 ALA HB1 H 1 0.186 0.01 . 1 . . . . . 83 ALA HB . 52087 1 796 . 1 . 1 76 76 ALA HB2 H 1 0.186 0.01 . 1 . . . . . 83 ALA HB . 52087 1 797 . 1 . 1 76 76 ALA HB3 H 1 0.186 0.01 . 1 . . . . . 83 ALA HB . 52087 1 798 . 1 . 1 76 76 ALA C C 13 171.858 0.00 . 1 . . . . . 83 ALA C . 52087 1 799 . 1 . 1 76 76 ALA CA C 13 47.623 0.06 . 1 . . . . . 83 ALA CA . 52087 1 800 . 1 . 1 76 76 ALA CB C 13 16.625 0.08 . 1 . . . . . 83 ALA CB . 52087 1 801 . 1 . 1 76 76 ALA N N 15 123.146 0.05 . 1 . . . . . 83 ALA N . 52087 1 802 . 1 . 1 77 77 GLU H H 1 7.975 0.01 . 1 . . . . . 84 GLU H . 52087 1 803 . 1 . 1 77 77 GLU HA H 1 4.321 0.01 . 1 . . . . . 84 GLU HA . 52087 1 804 . 1 . 1 77 77 GLU HB2 H 1 1.857 0.00 . 1 . . . . . 84 GLU HB2 . 52087 1 805 . 1 . 1 77 77 GLU HB3 H 1 1.857 0.00 . 1 . . . . . 84 GLU HB3 . 52087 1 806 . 1 . 1 77 77 GLU HG2 H 1 2.244 0.00 . 1 . . . . . 84 GLU HG2 . 52087 1 807 . 1 . 1 77 77 GLU HG3 H 1 2.244 0.00 . 1 . . . . . 84 GLU HG3 . 52087 1 808 . 1 . 1 77 77 GLU C C 13 172.762 0.00 . 1 . . . . . 84 GLU C . 52087 1 809 . 1 . 1 77 77 GLU CA C 13 52.376 0.10 . 1 . . . . . 84 GLU CA . 52087 1 810 . 1 . 1 77 77 GLU CB C 13 28.883 0.19 . 1 . . . . . 84 GLU CB . 52087 1 811 . 1 . 1 77 77 GLU CG C 13 33.355 0.06 . 1 . . . . . 84 GLU CG . 52087 1 812 . 1 . 1 77 77 GLU N N 15 120.705 0.03 . 1 . . . . . 84 GLU N . 52087 1 813 . 1 . 1 78 78 ASP H H 1 8.552 0.01 . 1 . . . . . 85 ASP H . 52087 1 814 . 1 . 1 78 78 ASP HA H 1 4.487 0.03 . 1 . . . . . 85 ASP HA . 52087 1 815 . 1 . 1 78 78 ASP HB2 H 1 2.746 0.02 . 1 . . . . . 85 ASP HB2 . 52087 1 816 . 1 . 1 78 78 ASP HB3 H 1 2.746 0.02 . 1 . . . . . 85 ASP HB3 . 52087 1 817 . 1 . 1 78 78 ASP C C 13 173.705 0.00 . 1 . . . . . 85 ASP C . 52087 1 818 . 1 . 1 78 78 ASP CA C 13 53.565 0.10 . 1 . . . . . 85 ASP CA . 52087 1 819 . 1 . 1 78 78 ASP CB C 13 39.815 0.04 . 1 . . . . . 85 ASP CB . 52087 1 820 . 1 . 1 78 78 ASP N N 15 124.696 0.07 . 1 . . . . . 85 ASP N . 52087 1 821 . 1 . 1 79 79 GLY H H 1 9.556 0.01 . 1 . . . . . 86 GLY H . 52087 1 822 . 1 . 1 79 79 GLY HA2 H 1 4.153 0.01 . 1 . . . . . 86 GLY HA2 . 52087 1 823 . 1 . 1 79 79 GLY HA3 H 1 3.263 0.00 . 1 . . . . . 86 GLY HA3 . 52087 1 824 . 1 . 1 79 79 GLY C C 13 170.835 0.00 . 1 . . . . . 86 GLY C . 52087 1 825 . 1 . 1 79 79 GLY CA C 13 42.780 0.06 . 1 . . . . . 86 GLY CA . 52087 1 826 . 1 . 1 79 79 GLY N N 15 115.744 0.11 . 1 . . . . . 86 GLY N . 52087 1 827 . 1 . 1 80 80 LYS H H 1 7.734 0.00 . 1 . . . . . 87 LYS H . 52087 1 828 . 1 . 1 80 80 LYS HA H 1 4.984 0.01 . 1 . . . . . 87 LYS HA . 52087 1 829 . 1 . 1 80 80 LYS HB2 H 1 2.042 0.00 . 1 . . . . . 87 LYS HB2 . 52087 1 830 . 1 . 1 80 80 LYS HB3 H 1 1.975 0.05 . 1 . . . . . 87 LYS HB3 . 52087 1 831 . 1 . 1 80 80 LYS HG2 H 1 1.479 0.00 . 1 . . . . . 87 LYS HG2 . 52087 1 832 . 1 . 1 80 80 LYS HG3 H 1 1.296 0.00 . 1 . . . . . 87 LYS HG3 . 52087 1 833 . 1 . 1 80 80 LYS HD2 H 1 1.721 0.00 . 1 . . . . . 87 LYS HD2 . 52087 1 834 . 1 . 1 80 80 LYS HD3 H 1 1.633 0.00 . 1 . . . . . 87 LYS HD3 . 52087 1 835 . 1 . 1 80 80 LYS HE2 H 1 2.997 0.00 . 1 . . . . . 87 LYS HE . 52087 1 836 . 1 . 1 80 80 LYS HE3 H 1 2.997 0.00 . 1 . . . . . 87 LYS HE . 52087 1 837 . 1 . 1 80 80 LYS CA C 13 49.818 0.02 . 1 . . . . . 87 LYS CA . 52087 1 838 . 1 . 1 80 80 LYS CB C 13 29.788 0.21 . 1 . . . . . 87 LYS CB . 52087 1 839 . 1 . 1 80 80 LYS N N 15 120.352 0.02 . 1 . . . . . 87 LYS N . 52087 1 840 . 1 . 1 81 81 PRO HA H 1 5.063 0.01 . 1 . . . . . 88 PRO HA . 52087 1 841 . 1 . 1 81 81 PRO HB2 H 1 2.373 0.02 . 1 . . . . . 88 PRO HB2 . 52087 1 842 . 1 . 1 81 81 PRO HB3 H 1 1.868 0.01 . 1 . . . . . 88 PRO HB3 . 52087 1 843 . 1 . 1 81 81 PRO HG2 H 1 2.046 0.04 . 1 . . . . . 88 PRO HG2 . 52087 1 844 . 1 . 1 81 81 PRO HD2 H 1 3.700 0.01 . 1 . . . . . 88 PRO HD2 . 52087 1 845 . 1 . 1 81 81 PRO HD3 H 1 3.708 0.01 . 1 . . . . . 88 PRO HD3 . 52087 1 846 . 1 . 1 81 81 PRO C C 13 173.892 0.00 . 1 . . . . . 88 PRO C . 52087 1 847 . 1 . 1 81 81 PRO CA C 13 60.002 0.09 . 1 . . . . . 88 PRO CA . 52087 1 848 . 1 . 1 81 81 PRO CB C 13 29.672 0.14 . 1 . . . . . 88 PRO CB . 52087 1 849 . 1 . 1 81 81 PRO CG C 13 24.534 0.14 . 1 . . . . . 88 PRO CG . 52087 1 850 . 1 . 1 81 81 PRO CD C 13 48.117 0.19 . 1 . . . . . 88 PRO CD . 52087 1 851 . 1 . 1 82 82 VAL H H 1 9.167 0.01 . 1 . . . . . 89 VAL H . 52087 1 852 . 1 . 1 82 82 VAL HA H 1 4.707 0.01 . 1 . . . . . 89 VAL HA . 52087 1 853 . 1 . 1 82 82 VAL HB H 1 2.097 0.03 . 1 . . . . . 89 VAL HB . 52087 1 854 . 1 . 1 82 82 VAL HG11 H 1 0.836 0.01 . 1 . . . . . 89 VAL HG1 . 52087 1 855 . 1 . 1 82 82 VAL HG12 H 1 0.836 0.01 . 1 . . . . . 89 VAL HG1 . 52087 1 856 . 1 . 1 82 82 VAL HG13 H 1 0.836 0.01 . 1 . . . . . 89 VAL HG1 . 52087 1 857 . 1 . 1 82 82 VAL HG21 H 1 0.871 0.01 . 1 . . . . . 89 VAL HG2 . 52087 1 858 . 1 . 1 82 82 VAL HG22 H 1 0.871 0.01 . 1 . . . . . 89 VAL HG2 . 52087 1 859 . 1 . 1 82 82 VAL HG23 H 1 0.871 0.01 . 1 . . . . . 89 VAL HG2 . 52087 1 860 . 1 . 1 82 82 VAL C C 13 172.338 0.00 . 1 . . . . . 89 VAL C . 52087 1 861 . 1 . 1 82 82 VAL CA C 13 56.529 0.06 . 1 . . . . . 89 VAL CA . 52087 1 862 . 1 . 1 82 82 VAL CB C 13 33.071 0.13 . 1 . . . . . 89 VAL CB . 52087 1 863 . 1 . 1 82 82 VAL CG1 C 13 20.369 0.13 . 1 . . . . . 89 VAL CG1 . 52087 1 864 . 1 . 1 82 82 VAL CG2 C 13 15.068 0.18 . 1 . . . . . 89 VAL CG2 . 52087 1 865 . 1 . 1 82 82 VAL N N 15 114.108 0.06 . 1 . . . . . 89 VAL N . 52087 1 866 . 1 . 1 83 83 SER H H 1 8.375 0.00 . 1 . . . . . 90 SER H . 52087 1 867 . 1 . 1 83 83 SER HA H 1 4.720 0.01 . 1 . . . . . 90 SER HA . 52087 1 868 . 1 . 1 83 83 SER HB2 H 1 3.914 0.00 . 1 . . . . . 90 SER HB2 . 52087 1 869 . 1 . 1 83 83 SER HB3 H 1 3.639 0.00 . 1 . . . . . 90 SER HB3 . 52087 1 870 . 1 . 1 83 83 SER C C 13 170.465 0.00 . 1 . . . . . 90 SER C . 52087 1 871 . 1 . 1 83 83 SER CA C 13 53.557 0.11 . 1 . . . . . 90 SER CA . 52087 1 872 . 1 . 1 83 83 SER CB C 13 62.222 0.12 . 1 . . . . . 90 SER CB . 52087 1 873 . 1 . 1 83 83 SER N N 15 118.329 0.04 . 1 . . . . . 90 SER N . 52087 1 874 . 1 . 1 84 84 LEU H H 1 8.227 0.02 . 1 . . . . . 91 LEU H . 52087 1 875 . 1 . 1 84 84 LEU HA H 1 3.583 0.01 . 1 . . . . . 91 LEU HA . 52087 1 876 . 1 . 1 84 84 LEU HB2 H 1 1.609 0.02 . 1 . . . . . 91 LEU HB2 . 52087 1 877 . 1 . 1 84 84 LEU HB3 H 1 1.329 0.02 . 1 . . . . . 91 LEU HB3 . 52087 1 878 . 1 . 1 84 84 LEU HG H 1 1.357 0.04 . 1 . . . . . 91 LEU HG . 52087 1 879 . 1 . 1 84 84 LEU HD11 H 1 0.849 0.01 . 1 . . . . . 91 LEU HD1 . 52087 1 880 . 1 . 1 84 84 LEU HD12 H 1 0.849 0.01 . 1 . . . . . 91 LEU HD1 . 52087 1 881 . 1 . 1 84 84 LEU HD13 H 1 0.849 0.01 . 1 . . . . . 91 LEU HD1 . 52087 1 882 . 1 . 1 84 84 LEU HD21 H 1 0.846 0.00 . 1 . . . . . 91 LEU HD2 . 52087 1 883 . 1 . 1 84 84 LEU HD22 H 1 0.846 0.00 . 1 . . . . . 91 LEU HD2 . 52087 1 884 . 1 . 1 84 84 LEU HD23 H 1 0.846 0.00 . 1 . . . . . 91 LEU HD2 . 52087 1 885 . 1 . 1 84 84 LEU C C 13 174.719 0.00 . 1 . . . . . 91 LEU C . 52087 1 886 . 1 . 1 84 84 LEU CA C 13 54.654 0.07 . 1 . . . . . 91 LEU CA . 52087 1 887 . 1 . 1 84 84 LEU CB C 13 39.107 0.12 . 1 . . . . . 91 LEU CB . 52087 1 888 . 1 . 1 84 84 LEU CG C 13 23.963 0.02 . 1 . . . . . 91 LEU CG . 52087 1 889 . 1 . 1 84 84 LEU CD1 C 13 22.491 0.22 . 1 . . . . . 91 LEU CD1 . 52087 1 890 . 1 . 1 84 84 LEU CD2 C 13 21.020 0.21 . 1 . . . . . 91 LEU CD2 . 52087 1 891 . 1 . 1 84 84 LEU N N 15 123.846 0.03 . 1 . . . . . 91 LEU N . 52087 1 892 . 1 . 1 85 85 ASP H H 1 9.121 0.01 . 1 . . . . . 92 ASP H . 52087 1 893 . 1 . 1 85 85 ASP HA H 1 4.231 0.01 . 1 . . . . . 92 ASP HA . 52087 1 894 . 1 . 1 85 85 ASP HB2 H 1 2.942 0.02 . 1 . . . . . 92 ASP HB2 . 52087 1 895 . 1 . 1 85 85 ASP HB3 H 1 2.879 0.04 . 1 . . . . . 92 ASP HB3 . 52087 1 896 . 1 . 1 85 85 ASP C C 13 172.300 0.00 . 1 . . . . . 92 ASP C . 52087 1 897 . 1 . 1 85 85 ASP CA C 13 53.920 0.07 . 1 . . . . . 92 ASP CA . 52087 1 898 . 1 . 1 85 85 ASP CB C 13 35.939 0.19 . 1 . . . . . 92 ASP CB . 52087 1 899 . 1 . 1 85 85 ASP N N 15 121.762 0.02 . 1 . . . . . 92 ASP N . 52087 1 900 . 1 . 1 86 86 THR H H 1 7.926 0.00 . 1 . . . . . 93 THR H . 52087 1 901 . 1 . 1 86 86 THR HA H 1 4.263 0.01 . 1 . . . . . 93 THR HA . 52087 1 902 . 1 . 1 86 86 THR HB H 1 3.915 0.00 . 1 . . . . . 93 THR HB . 52087 1 903 . 1 . 1 86 86 THR HG21 H 1 1.255 0.01 . 1 . . . . . 93 THR HG2 . 52087 1 904 . 1 . 1 86 86 THR HG22 H 1 1.255 0.01 . 1 . . . . . 93 THR HG2 . 52087 1 905 . 1 . 1 86 86 THR HG23 H 1 1.255 0.01 . 1 . . . . . 93 THR HG2 . 52087 1 906 . 1 . 1 86 86 THR CA C 13 59.685 0.26 . 1 . . . . . 93 THR CA . 52087 1 907 . 1 . 1 86 86 THR CB C 13 67.595 0.02 . 1 . . . . . 93 THR CB . 52087 1 908 . 1 . 1 86 86 THR CG2 C 13 18.778 0.12 . 1 . . . . . 93 THR CG2 . 52087 1 909 . 1 . 1 86 86 THR N N 15 120.635 0.03 . 1 . . . . . 93 THR N . 52087 1 910 . 1 . 1 87 87 PRO HA H 1 4.057 0.02 . 1 . . . . . 94 PRO HA . 52087 1 911 . 1 . 1 87 87 PRO HB2 H 1 1.974 0.05 . 1 . . . . . 94 PRO HB2 . 52087 1 912 . 1 . 1 87 87 PRO HB3 H 1 1.625 0.02 . 1 . . . . . 94 PRO HB3 . 52087 1 913 . 1 . 1 87 87 PRO HG2 H 1 1.856 0.03 . 1 . . . . . 94 PRO HG2 . 52087 1 914 . 1 . 1 87 87 PRO HG3 H 1 1.905 0.00 . 1 . . . . . 94 PRO HG3 . 52087 1 915 . 1 . 1 87 87 PRO HD2 H 1 3.696 0.00 . 1 . . . . . 94 PRO HD2 . 52087 1 916 . 1 . 1 87 87 PRO HD3 H 1 3.641 0.04 . 1 . . . . . 94 PRO HD3 . 52087 1 917 . 1 . 1 87 87 PRO C C 13 171.338 0.00 . 1 . . . . . 94 PRO C . 52087 1 918 . 1 . 1 87 87 PRO CA C 13 60.891 0.11 . 1 . . . . . 94 PRO CA . 52087 1 919 . 1 . 1 87 87 PRO CB C 13 29.251 0.11 . 1 . . . . . 94 PRO CB . 52087 1 920 . 1 . 1 87 87 PRO CG C 13 24.554 0.28 . 1 . . . . . 94 PRO CG . 52087 1 921 . 1 . 1 87 87 PRO CD C 13 48.039 0.35 . 1 . . . . . 94 PRO CD . 52087 1 922 . 1 . 1 88 88 LEU H H 1 8.996 0.00 . 1 . . . . . 95 LEU H . 52087 1 923 . 1 . 1 88 88 LEU HA H 1 4.058 0.01 . 1 . . . . . 95 LEU HA . 52087 1 924 . 1 . 1 88 88 LEU HB2 H 1 1.746 0.01 . 1 . . . . . 95 LEU HB2 . 52087 1 925 . 1 . 1 88 88 LEU HB3 H 1 0.920 0.05 . 1 . . . . . 95 LEU HB3 . 52087 1 926 . 1 . 1 88 88 LEU HG H 1 0.299 0.00 . 1 . . . . . 95 LEU HG . 52087 1 927 . 1 . 1 88 88 LEU HD11 H 1 0.627 0.03 . 1 . . . . . 95 LEU HD1 . 52087 1 928 . 1 . 1 88 88 LEU HD12 H 1 0.627 0.03 . 1 . . . . . 95 LEU HD1 . 52087 1 929 . 1 . 1 88 88 LEU HD13 H 1 0.627 0.03 . 1 . . . . . 95 LEU HD1 . 52087 1 930 . 1 . 1 88 88 LEU HD21 H 1 0.655 0.00 . 1 . . . . . 95 LEU HD2 . 52087 1 931 . 1 . 1 88 88 LEU HD22 H 1 0.655 0.00 . 1 . . . . . 95 LEU HD2 . 52087 1 932 . 1 . 1 88 88 LEU HD23 H 1 0.655 0.00 . 1 . . . . . 95 LEU HD2 . 52087 1 933 . 1 . 1 88 88 LEU C C 13 173.054 0.00 . 1 . . . . . 95 LEU C . 52087 1 934 . 1 . 1 88 88 LEU CA C 13 52.969 0.12 . 1 . . . . . 95 LEU CA . 52087 1 935 . 1 . 1 88 88 LEU CB C 13 42.426 0.09 . 1 . . . . . 95 LEU CB . 52087 1 936 . 1 . 1 88 88 LEU CG C 13 23.351 0.21 . 1 . . . . . 95 LEU CG . 52087 1 937 . 1 . 1 88 88 LEU CD1 C 13 22.187 0.08 . 1 . . . . . 95 LEU CD1 . 52087 1 938 . 1 . 1 88 88 LEU CD2 C 13 20.264 0.25 . 1 . . . . . 95 LEU CD2 . 52087 1 939 . 1 . 1 88 88 LEU N N 15 119.918 0.18 . 1 . . . . . 95 LEU N . 52087 1 940 . 1 . 1 89 89 PHE H H 1 7.226 0.02 . 1 . . . . . 96 PHE H . 52087 1 941 . 1 . 1 89 89 PHE HA H 1 5.152 0.02 . 1 . . . . . 96 PHE HA . 52087 1 942 . 1 . 1 89 89 PHE HB2 H 1 2.991 0.01 . 1 . . . . . 96 PHE HB2 . 52087 1 943 . 1 . 1 89 89 PHE HB3 H 1 2.578 0.02 . 1 . . . . . 96 PHE HB3 . 52087 1 944 . 1 . 1 89 89 PHE C C 13 170.641 0.00 . 1 . . . . . 96 PHE C . 52087 1 945 . 1 . 1 89 89 PHE CA C 13 53.168 0.08 . 1 . . . . . 96 PHE CA . 52087 1 946 . 1 . 1 89 89 PHE CB C 13 40.985 0.19 . 1 . . . . . 96 PHE CB . 52087 1 947 . 1 . 1 89 89 PHE N N 15 111.966 0.03 . 1 . . . . . 96 PHE N . 52087 1 948 . 1 . 1 90 90 VAL H H 1 8.675 0.00 . 1 . . . . . 97 VAL H . 52087 1 949 . 1 . 1 90 90 VAL HA H 1 4.484 0.01 . 1 . . . . . 97 VAL HA . 52087 1 950 . 1 . 1 90 90 VAL HB H 1 1.806 0.02 . 1 . . . . . 97 VAL HB . 52087 1 951 . 1 . 1 90 90 VAL HG11 H 1 0.818 0.02 . 1 . . . . . 97 VAL HG1 . 52087 1 952 . 1 . 1 90 90 VAL HG12 H 1 0.818 0.02 . 1 . . . . . 97 VAL HG1 . 52087 1 953 . 1 . 1 90 90 VAL HG13 H 1 0.818 0.02 . 1 . . . . . 97 VAL HG1 . 52087 1 954 . 1 . 1 90 90 VAL HG21 H 1 0.797 0.01 . 1 . . . . . 97 VAL HG2 . 52087 1 955 . 1 . 1 90 90 VAL HG22 H 1 0.797 0.01 . 1 . . . . . 97 VAL HG2 . 52087 1 956 . 1 . 1 90 90 VAL HG23 H 1 0.797 0.01 . 1 . . . . . 97 VAL HG2 . 52087 1 957 . 1 . 1 90 90 VAL C C 13 172.319 0.00 . 1 . . . . . 97 VAL C . 52087 1 958 . 1 . 1 90 90 VAL CA C 13 59.274 0.16 . 1 . . . . . 97 VAL CA . 52087 1 959 . 1 . 1 90 90 VAL CB C 13 29.861 0.13 . 1 . . . . . 97 VAL CB . 52087 1 960 . 1 . 1 90 90 VAL CG1 C 13 20.049 0.34 . 1 . . . . . 97 VAL CG1 . 52087 1 961 . 1 . 1 90 90 VAL CG2 C 13 17.671 0.01 . 1 . . . . . 97 VAL CG2 . 52087 1 962 . 1 . 1 90 90 VAL N N 15 124.421 0.03 . 1 . . . . . 97 VAL N . 52087 1 963 . 1 . 1 91 91 VAL H H 1 8.577 0.00 . 1 . . . . . 98 VAL H . 52087 1 964 . 1 . 1 91 91 VAL HA H 1 4.624 0.02 . 1 . . . . . 98 VAL HA . 52087 1 965 . 1 . 1 91 91 VAL HB H 1 1.459 0.00 . 1 . . . . . 98 VAL HB . 52087 1 966 . 1 . 1 91 91 VAL HG11 H 1 0.592 0.01 . 1 . . . . . 98 VAL HG1 . 52087 1 967 . 1 . 1 91 91 VAL HG12 H 1 0.592 0.01 . 1 . . . . . 98 VAL HG1 . 52087 1 968 . 1 . 1 91 91 VAL HG13 H 1 0.592 0.01 . 1 . . . . . 98 VAL HG1 . 52087 1 969 . 1 . 1 91 91 VAL HG21 H 1 0.331 0.01 . 1 . . . . . 98 VAL HG2 . 52087 1 970 . 1 . 1 91 91 VAL HG22 H 1 0.331 0.01 . 1 . . . . . 98 VAL HG2 . 52087 1 971 . 1 . 1 91 91 VAL HG23 H 1 0.331 0.01 . 1 . . . . . 98 VAL HG2 . 52087 1 972 . 1 . 1 91 91 VAL C C 13 169.806 0.00 . 1 . . . . . 98 VAL C . 52087 1 973 . 1 . 1 91 91 VAL CA C 13 57.416 0.29 . 1 . . . . . 98 VAL CA . 52087 1 974 . 1 . 1 91 91 VAL CB C 13 31.613 0.05 . 1 . . . . . 98 VAL CB . 52087 1 975 . 1 . 1 91 91 VAL CG1 C 13 17.775 0.05 . 1 . . . . . 98 VAL CG1 . 52087 1 976 . 1 . 1 91 91 VAL CG2 C 13 17.837 0.03 . 1 . . . . . 98 VAL CG2 . 52087 1 977 . 1 . 1 91 91 VAL N N 15 129.467 0.03 . 1 . . . . . 98 VAL N . 52087 1 978 . 1 . 1 92 92 GLN H H 1 9.137 0.00 . 1 . . . . . 99 GLN H . 52087 1 979 . 1 . 1 92 92 GLN HA H 1 4.846 0.01 . 1 . . . . . 99 GLN HA . 52087 1 980 . 1 . 1 92 92 GLN HB2 H 1 2.753 0.00 . 1 . . . . . 99 GLN HB2 . 52087 1 981 . 1 . 1 92 92 GLN HB3 H 1 2.562 0.01 . 1 . . . . . 99 GLN HB3 . 52087 1 982 . 1 . 1 92 92 GLN HG2 H 1 2.260 0.01 . 1 . . . . . 99 GLN HG . 52087 1 983 . 1 . 1 92 92 GLN HG3 H 1 2.260 0.01 . 1 . . . . . 99 GLN HG . 52087 1 984 . 1 . 1 92 92 GLN CA C 13 49.100 0.12 . 1 . . . . . 99 GLN CA . 52087 1 985 . 1 . 1 92 92 GLN CB C 13 29.256 0.27 . 1 . . . . . 99 GLN CB . 52087 1 986 . 1 . 1 92 92 GLN N N 15 126.564 0.05 . 1 . . . . . 99 GLN N . 52087 1 stop_ save_