data_27355 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27355 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the C-terminal P4 domain of AHNAK ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-10 _Entry.Accession_date 2018-01-10 _Entry.Last_release_date 2018-01-11 _Entry.Original_release_date 2018-01-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _Entry.Generated_software_label . _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 Dmitry Shishmarev . . . . 27355 2 Srinivasan Sundararaj . . . . 27355 3 Marco Casarotto . G. . . 27355 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The Australian National University' . 27355 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27355 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 27355 '15N chemical shifts' 94 27355 '1H chemical shifts' 359 27355 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 2 . . 2018-09-27 2018-01-10 update BMRB 'update entry citation' 27355 1 . . 2018-04-18 2018-01-10 original author 'original release' 27355 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27355 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29594929 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone NMR chemical shift assignments of the C-terminal P4 domain of Ahnak ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 253 _Citation.Page_last 257 _Citation.Year 2018 _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 Srinivasan Sundararaj . . . . 27355 1 2 Dmitry Shishmarev . . . . 27355 1 3 Yiechang Lin . . . . 27355 1 4 Shouvik Aditya . . . . 27355 1 5 Marco Casarotto . G. . . 27355 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Ahnak 27355 1 'Cav1.2 modulation' 27355 1 NMR 27355 1 'chemical shift index' 27355 1 'resonance assignments' 27355 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27355 _Assembly.ID 1 _Assembly.Name AHNAK _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 AHNAK 1 $AHNAK A . yes native no no . . . 27355 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AHNAK _Entity.Sf_category entity _Entity.Sf_framecode AHNAK _Entity.Entry_ID 27355 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AHNAK _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 ; MGSSHHHHHHLEVLFQGPGS GGEVSLEGGKVKGKHGKLKF GTFGGLGSKSKGHYEVTGSD DETGKLQGSGVSLASKKSRL SSSSSNDSGNKVGIQLPEVE LSVSTKKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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_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 . MET . 27355 1 2 . GLY . 27355 1 3 . SER . 27355 1 4 . SER . 27355 1 5 . HIS . 27355 1 6 . HIS . 27355 1 7 . HIS . 27355 1 8 . HIS . 27355 1 9 . HIS . 27355 1 10 . HIS . 27355 1 11 . LEU . 27355 1 12 . GLU . 27355 1 13 . VAL . 27355 1 14 . LEU . 27355 1 15 . PHE . 27355 1 16 . GLN . 27355 1 17 . GLY . 27355 1 18 . PRO . 27355 1 19 . GLY . 27355 1 20 . SER . 27355 1 21 . GLY . 27355 1 22 . GLY . 27355 1 23 . GLU . 27355 1 24 . VAL . 27355 1 25 . SER . 27355 1 26 . LEU . 27355 1 27 . GLU . 27355 1 28 . GLY . 27355 1 29 . GLY . 27355 1 30 . LYS . 27355 1 31 . VAL . 27355 1 32 . LYS . 27355 1 33 . GLY . 27355 1 34 . LYS . 27355 1 35 . HIS . 27355 1 36 . GLY . 27355 1 37 . LYS . 27355 1 38 . LEU . 27355 1 39 . LYS . 27355 1 40 . PHE . 27355 1 41 . GLY . 27355 1 42 . THR . 27355 1 43 . PHE . 27355 1 44 . GLY . 27355 1 45 . GLY . 27355 1 46 . LEU . 27355 1 47 . GLY . 27355 1 48 . SER . 27355 1 49 . LYS . 27355 1 50 . SER . 27355 1 51 . LYS . 27355 1 52 . GLY . 27355 1 53 . HIS . 27355 1 54 . TYR . 27355 1 55 . GLU . 27355 1 56 . VAL . 27355 1 57 . THR . 27355 1 58 . GLY . 27355 1 59 . SER . 27355 1 60 . ASP . 27355 1 61 . ASP . 27355 1 62 . GLU . 27355 1 63 . THR . 27355 1 64 . GLY . 27355 1 65 . LYS . 27355 1 66 . LEU . 27355 1 67 . GLN . 27355 1 68 . GLY . 27355 1 69 . SER . 27355 1 70 . GLY . 27355 1 71 . VAL . 27355 1 72 . SER . 27355 1 73 . LEU . 27355 1 74 . ALA . 27355 1 75 . SER . 27355 1 76 . LYS . 27355 1 77 . LYS . 27355 1 78 . SER . 27355 1 79 . ARG . 27355 1 80 . LEU . 27355 1 81 . SER . 27355 1 82 . SER . 27355 1 83 . SER . 27355 1 84 . SER . 27355 1 85 . SER . 27355 1 86 . ASN . 27355 1 87 . ASP . 27355 1 88 . SER . 27355 1 89 . GLY . 27355 1 90 . ASN . 27355 1 91 . LYS . 27355 1 92 . VAL . 27355 1 93 . GLY . 27355 1 94 . ILE . 27355 1 95 . GLN . 27355 1 96 . LEU . 27355 1 97 . PRO . 27355 1 98 . GLU . 27355 1 99 . VAL . 27355 1 100 . GLU . 27355 1 101 . LEU . 27355 1 102 . SER . 27355 1 103 . VAL . 27355 1 104 . SER . 27355 1 105 . THR . 27355 1 106 . LYS . 27355 1 107 . LYS . 27355 1 108 . GLU . 27355 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27355 1 . GLY 2 2 27355 1 . SER 3 3 27355 1 . SER 4 4 27355 1 . HIS 5 5 27355 1 . HIS 6 6 27355 1 . HIS 7 7 27355 1 . HIS 8 8 27355 1 . HIS 9 9 27355 1 . HIS 10 10 27355 1 . LEU 11 11 27355 1 . GLU 12 12 27355 1 . VAL 13 13 27355 1 . LEU 14 14 27355 1 . PHE 15 15 27355 1 . GLN 16 16 27355 1 . GLY 17 17 27355 1 . PRO 18 18 27355 1 . GLY 19 19 27355 1 . SER 20 20 27355 1 . GLY 21 21 27355 1 . GLY 22 22 27355 1 . GLU 23 23 27355 1 . VAL 24 24 27355 1 . SER 25 25 27355 1 . LEU 26 26 27355 1 . GLU 27 27 27355 1 . GLY 28 28 27355 1 . GLY 29 29 27355 1 . LYS 30 30 27355 1 . VAL 31 31 27355 1 . LYS 32 32 27355 1 . GLY 33 33 27355 1 . LYS 34 34 27355 1 . HIS 35 35 27355 1 . GLY 36 36 27355 1 . LYS 37 37 27355 1 . LEU 38 38 27355 1 . LYS 39 39 27355 1 . PHE 40 40 27355 1 . GLY 41 41 27355 1 . THR 42 42 27355 1 . PHE 43 43 27355 1 . GLY 44 44 27355 1 . GLY 45 45 27355 1 . LEU 46 46 27355 1 . GLY 47 47 27355 1 . SER 48 48 27355 1 . LYS 49 49 27355 1 . SER 50 50 27355 1 . LYS 51 51 27355 1 . GLY 52 52 27355 1 . HIS 53 53 27355 1 . TYR 54 54 27355 1 . GLU 55 55 27355 1 . VAL 56 56 27355 1 . THR 57 57 27355 1 . GLY 58 58 27355 1 . SER 59 59 27355 1 . ASP 60 60 27355 1 . ASP 61 61 27355 1 . GLU 62 62 27355 1 . THR 63 63 27355 1 . GLY 64 64 27355 1 . LYS 65 65 27355 1 . LEU 66 66 27355 1 . GLN 67 67 27355 1 . GLY 68 68 27355 1 . SER 69 69 27355 1 . GLY 70 70 27355 1 . VAL 71 71 27355 1 . SER 72 72 27355 1 . LEU 73 73 27355 1 . ALA 74 74 27355 1 . SER 75 75 27355 1 . LYS 76 76 27355 1 . LYS 77 77 27355 1 . SER 78 78 27355 1 . ARG 79 79 27355 1 . LEU 80 80 27355 1 . SER 81 81 27355 1 . SER 82 82 27355 1 . SER 83 83 27355 1 . SER 84 84 27355 1 . SER 85 85 27355 1 . ASN 86 86 27355 1 . ASP 87 87 27355 1 . SER 88 88 27355 1 . GLY 89 89 27355 1 . ASN 90 90 27355 1 . LYS 91 91 27355 1 . VAL 92 92 27355 1 . GLY 93 93 27355 1 . ILE 94 94 27355 1 . GLN 95 95 27355 1 . LEU 96 96 27355 1 . PRO 97 97 27355 1 . GLU 98 98 27355 1 . VAL 99 99 27355 1 . GLU 100 100 27355 1 . LEU 101 101 27355 1 . SER 102 102 27355 1 . VAL 103 103 27355 1 . SER 104 104 27355 1 . THR 105 105 27355 1 . LYS 106 106 27355 1 . LYS 107 107 27355 1 . GLU 108 108 27355 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27355 _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 $AHNAK . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . AHNAK . 27355 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27355 _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 $AHNAK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pJ411 . . . 27355 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27355 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 AHNAK '[U-13C; U-15N]' . . 1 $AHNAK . . 0.5 . . mM 0.05 . . . 27355 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27355 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27355 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 27355 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 27355 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 27355 1 pressure 1 . atm 27355 1 temperature 293 . K 27355 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27355 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27355 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27355 1 processing 27355 1 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 27355 _Software.ID 2 _Software.Type . _Software.Name CCPNMR_Analysis _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27355 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27355 2 'peak picking' 27355 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27355 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27355 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27355 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27355 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27355 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27355 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27355 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27355 1 5 '3D 15N TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27355 1 6 '3D 15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27355 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27355 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27355 1 H 1 water protons . . . . ppm 4.813 internal direct 1.000000000 . . . . . 27355 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27355 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27355 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27355 1 2 '3D HNCACB' . . . 27355 1 3 '3D CBCA(CO)NH' . . . 27355 1 4 '3D HN(CA)CO' . . . 27355 1 5 '3D 15N TOCSY-HSQC' . . . 27355 1 6 '3D 15N NOESY-HSQC' . . . 27355 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 10 10 HIS HA H 1 4.584 0.004 . 1 . . . . . 10 HIS HA . 27355 1 2 . 1 1 10 10 HIS HB2 H 1 3.127 0.002 . 1 . . . . . 10 HIS HB2 . 27355 1 3 . 1 1 10 10 HIS C C 13 174.731 0.000 . 1 . . . . . 10 HIS C . 27355 1 4 . 1 1 10 10 HIS CA C 13 56.367 0.015 . 1 . . . . . 10 HIS CA . 27355 1 5 . 1 1 10 10 HIS CB C 13 29.823 0.011 . 1 . . . . . 10 HIS CB . 27355 1 6 . 1 1 11 11 LEU H H 1 8.292 0.001 . 1 . . . . . 11 LEU H . 27355 1 7 . 1 1 11 11 LEU HA H 1 4.281 0.005 . 1 . . . . . 11 LEU HA . 27355 1 8 . 1 1 11 11 LEU HB2 H 1 1.553 0.004 . 1 . . . . . 11 LEU HB2 . 27355 1 9 . 1 1 11 11 LEU C C 13 177.023 0.012 . 1 . . . . . 11 LEU C . 27355 1 10 . 1 1 11 11 LEU CA C 13 55.232 0.013 . 1 . . . . . 11 LEU CA . 27355 1 11 . 1 1 11 11 LEU CB C 13 42.349 0.051 . 1 . . . . . 11 LEU CB . 27355 1 12 . 1 1 11 11 LEU CG C 13 26.744 0.000 . 1 . . . . . 11 LEU CG . 27355 1 13 . 1 1 11 11 LEU CD1 C 13 24.831 0.000 . 2 . . . . . 11 LEU CD1 . 27355 1 14 . 1 1 11 11 LEU CD2 C 13 23.453 0.000 . 2 . . . . . 11 LEU CD2 . 27355 1 15 . 1 1 11 11 LEU N N 15 123.547 0.043 . 1 . . . . . 11 LEU N . 27355 1 16 . 1 1 12 12 GLU H H 1 8.425 0.002 . 1 . . . . . 12 GLU H . 27355 1 17 . 1 1 12 12 GLU HA H 1 4.264 0.008 . 1 . . . . . 12 GLU HA . 27355 1 18 . 1 1 12 12 GLU HB2 H 1 1.962 0.011 . 1 . . . . . 12 GLU HB2 . 27355 1 19 . 1 1 12 12 GLU HG2 H 1 2.223 0.000 . 1 . . . . . 12 GLU HG2 . 27355 1 20 . 1 1 12 12 GLU C C 13 176.357 0.013 . 1 . . . . . 12 GLU C . 27355 1 21 . 1 1 12 12 GLU CA C 13 56.689 0.026 . 1 . . . . . 12 GLU CA . 27355 1 22 . 1 1 12 12 GLU CB C 13 30.183 0.011 . 1 . . . . . 12 GLU CB . 27355 1 23 . 1 1 12 12 GLU CG C 13 36.183 0.000 . 1 . . . . . 12 GLU CG . 27355 1 24 . 1 1 12 12 GLU N N 15 122.309 0.022 . 1 . . . . . 12 GLU N . 27355 1 25 . 1 1 13 13 VAL H H 1 8.140 0.002 . 1 . . . . . 13 VAL H . 27355 1 26 . 1 1 13 13 VAL HA H 1 4.041 0.009 . 1 . . . . . 13 VAL HA . 27355 1 27 . 1 1 13 13 VAL HB H 1 2.006 0.010 . 1 . . . . . 13 VAL HB . 27355 1 28 . 1 1 13 13 VAL HG11 H 1 0.878 0.011 . 1 . . . . . 13 VAL HG11 . 27355 1 29 . 1 1 13 13 VAL HG12 H 1 0.878 0.011 . 1 . . . . . 13 VAL HG12 . 27355 1 30 . 1 1 13 13 VAL HG13 H 1 0.878 0.011 . 1 . . . . . 13 VAL HG13 . 27355 1 31 . 1 1 13 13 VAL C C 13 175.900 0.004 . 1 . . . . . 13 VAL C . 27355 1 32 . 1 1 13 13 VAL CA C 13 62.394 0.017 . 1 . . . . . 13 VAL CA . 27355 1 33 . 1 1 13 13 VAL CB C 13 32.648 0.021 . 1 . . . . . 13 VAL CB . 27355 1 34 . 1 1 13 13 VAL N N 15 121.573 0.021 . 1 . . . . . 13 VAL N . 27355 1 35 . 1 1 14 14 LEU H H 1 8.237 0.002 . 1 . . . . . 14 LEU H . 27355 1 36 . 1 1 14 14 LEU HA H 1 4.312 0.000 . 1 . . . . . 14 LEU HA . 27355 1 37 . 1 1 14 14 LEU HB2 H 1 1.496 0.012 . 1 . . . . . 14 LEU HB2 . 27355 1 38 . 1 1 14 14 LEU C C 13 176.848 0.011 . 1 . . . . . 14 LEU C . 27355 1 39 . 1 1 14 14 LEU CA C 13 55.150 0.018 . 1 . . . . . 14 LEU CA . 27355 1 40 . 1 1 14 14 LEU CB C 13 42.429 0.050 . 1 . . . . . 14 LEU CB . 27355 1 41 . 1 1 14 14 LEU CG C 13 26.908 0.000 . 1 . . . . . 14 LEU CG . 27355 1 42 . 1 1 14 14 LEU CD1 C 13 23.413 0.000 . 1 . . . . . 14 LEU CD1 . 27355 1 43 . 1 1 14 14 LEU N N 15 125.656 0.035 . 1 . . . . . 14 LEU N . 27355 1 44 . 1 1 15 15 PHE H H 1 8.255 0.002 . 1 . . . . . 15 PHE H . 27355 1 45 . 1 1 15 15 PHE HA H 1 4.581 0.009 . 1 . . . . . 15 PHE HA . 27355 1 46 . 1 1 15 15 PHE HB2 H 1 3.057 0.002 . 1 . . . . . 15 PHE HB2 . 27355 1 47 . 1 1 15 15 PHE C C 13 175.429 0.021 . 1 . . . . . 15 PHE C . 27355 1 48 . 1 1 15 15 PHE CA C 13 57.923 0.045 . 1 . . . . . 15 PHE CA . 27355 1 49 . 1 1 15 15 PHE CB C 13 39.542 0.050 . 1 . . . . . 15 PHE CB . 27355 1 50 . 1 1 15 15 PHE N N 15 121.428 0.065 . 1 . . . . . 15 PHE N . 27355 1 51 . 1 1 16 16 GLN H H 1 8.265 0.002 . 1 . . . . . 16 GLN H . 27355 1 52 . 1 1 16 16 GLN HA H 1 4.344 0.002 . 1 . . . . . 16 GLN HA . 27355 1 53 . 1 1 16 16 GLN HB2 H 1 2.066 0.003 . 2 . . . . . 16 GLN HB2 . 27355 1 54 . 1 1 16 16 GLN HB3 H 1 1.883 0.002 . 2 . . . . . 16 GLN HB3 . 27355 1 55 . 1 1 16 16 GLN HG2 H 1 2.254 0.004 . 1 . . . . . 16 GLN HG2 . 27355 1 56 . 1 1 16 16 GLN C C 13 175.594 0.001 . 1 . . . . . 16 GLN C . 27355 1 57 . 1 1 16 16 GLN CA C 13 55.446 0.005 . 1 . . . . . 16 GLN CA . 27355 1 58 . 1 1 16 16 GLN CB C 13 29.847 0.008 . 1 . . . . . 16 GLN CB . 27355 1 59 . 1 1 16 16 GLN CG C 13 33.740 0.000 . 1 . . . . . 16 GLN CG . 27355 1 60 . 1 1 16 16 GLN N N 15 122.763 0.023 . 1 . . . . . 16 GLN N . 27355 1 61 . 1 1 17 17 GLY H H 1 7.858 0.002 . 1 . . . . . 17 GLY H . 27355 1 62 . 1 1 17 17 GLY HA2 H 1 4.033 0.006 . 1 . . . . . 17 GLY HA2 . 27355 1 63 . 1 1 17 17 GLY C C 13 171.833 0.000 . 1 . . . . . 17 GLY C . 27355 1 64 . 1 1 17 17 GLY CA C 13 44.590 0.000 . 1 . . . . . 17 GLY CA . 27355 1 65 . 1 1 17 17 GLY N N 15 109.718 0.025 . 1 . . . . . 17 GLY N . 27355 1 66 . 1 1 18 18 PRO HA H 1 4.443 0.006 . 1 . . . . . 18 PRO HA . 27355 1 67 . 1 1 18 18 PRO HB2 H 1 1.980 0.008 . 2 . . . . . 18 PRO HB2 . 27355 1 68 . 1 1 18 18 PRO HB3 H 1 2.286 0.003 . 2 . . . . . 18 PRO HB3 . 27355 1 69 . 1 1 18 18 PRO HG2 H 1 2.037 0.013 . 1 . . . . . 18 PRO HG2 . 27355 1 70 . 1 1 18 18 PRO HD2 H 1 3.656 0.007 . 1 . . . . . 18 PRO HD2 . 27355 1 71 . 1 1 18 18 PRO C C 13 177.873 0.000 . 1 . . . . . 18 PRO C . 27355 1 72 . 1 1 18 18 PRO CA C 13 63.598 0.091 . 1 . . . . . 18 PRO CA . 27355 1 73 . 1 1 18 18 PRO CB C 13 32.051 0.048 . 1 . . . . . 18 PRO CB . 27355 1 74 . 1 1 18 18 PRO CG C 13 27.199 0.052 . 1 . . . . . 18 PRO CG . 27355 1 75 . 1 1 18 18 PRO CD C 13 49.915 0.137 . 1 . . . . . 18 PRO CD . 27355 1 76 . 1 1 19 19 GLY H H 1 8.638 0.003 . 1 . . . . . 19 GLY H . 27355 1 77 . 1 1 19 19 GLY HA2 H 1 3.998 0.003 . 1 . . . . . 19 GLY HA2 . 27355 1 78 . 1 1 19 19 GLY C C 13 174.559 0.002 . 1 . . . . . 19 GLY C . 27355 1 79 . 1 1 19 19 GLY CA C 13 45.373 0.012 . 1 . . . . . 19 GLY CA . 27355 1 80 . 1 1 19 19 GLY N N 15 110.015 0.022 . 1 . . . . . 19 GLY N . 27355 1 81 . 1 1 20 20 SER H H 1 8.271 0.001 . 1 . . . . . 20 SER H . 27355 1 82 . 1 1 20 20 SER HA H 1 4.441 0.002 . 1 . . . . . 20 SER HA . 27355 1 83 . 1 1 20 20 SER HB2 H 1 3.876 0.005 . 1 . . . . . 20 SER HB2 . 27355 1 84 . 1 1 20 20 SER C C 13 175.279 0.001 . 1 . . . . . 20 SER C . 27355 1 85 . 1 1 20 20 SER CA C 13 58.660 0.006 . 1 . . . . . 20 SER CA . 27355 1 86 . 1 1 20 20 SER CB C 13 64.046 0.019 . 1 . . . . . 20 SER CB . 27355 1 87 . 1 1 20 20 SER N N 15 115.700 0.019 . 1 . . . . . 20 SER N . 27355 1 88 . 1 1 21 21 GLY H H 1 8.601 0.002 . 1 . . . . . 21 GLY H . 27355 1 89 . 1 1 21 21 GLY HA2 H 1 3.983 0.004 . 1 . . . . . 21 GLY HA2 . 27355 1 90 . 1 1 21 21 GLY C C 13 174.742 0.003 . 1 . . . . . 21 GLY C . 27355 1 91 . 1 1 21 21 GLY CA C 13 45.514 0.020 . 1 . . . . . 21 GLY CA . 27355 1 92 . 1 1 21 21 GLY N N 15 111.075 0.015 . 1 . . . . . 21 GLY N . 27355 1 93 . 1 1 22 22 GLY H H 1 8.260 0.002 . 1 . . . . . 22 GLY H . 27355 1 94 . 1 1 22 22 GLY HA2 H 1 3.945 0.005 . 1 . . . . . 22 GLY HA2 . 27355 1 95 . 1 1 22 22 GLY C C 13 174.136 0.000 . 1 . . . . . 22 GLY C . 27355 1 96 . 1 1 22 22 GLY CA C 13 45.170 0.003 . 1 . . . . . 22 GLY CA . 27355 1 97 . 1 1 22 22 GLY N N 15 108.684 0.030 . 1 . . . . . 22 GLY N . 27355 1 98 . 1 1 23 23 GLU H H 1 8.424 0.002 . 1 . . . . . 23 GLU H . 27355 1 99 . 1 1 23 23 GLU HA H 1 4.301 0.003 . 1 . . . . . 23 GLU HA . 27355 1 100 . 1 1 23 23 GLU HB2 H 1 1.968 0.015 . 1 . . . . . 23 GLU HB2 . 27355 1 101 . 1 1 23 23 GLU HG2 H 1 2.233 0.000 . 1 . . . . . 23 GLU HG2 . 27355 1 102 . 1 1 23 23 GLU C C 13 176.693 0.002 . 1 . . . . . 23 GLU C . 27355 1 103 . 1 1 23 23 GLU CA C 13 56.725 0.019 . 1 . . . . . 23 GLU CA . 27355 1 104 . 1 1 23 23 GLU CB C 13 30.179 0.018 . 1 . . . . . 23 GLU CB . 27355 1 105 . 1 1 23 23 GLU N N 15 120.913 0.025 . 1 . . . . . 23 GLU N . 27355 1 106 . 1 1 24 24 VAL H H 1 8.242 0.002 . 1 . . . . . 24 VAL H . 27355 1 107 . 1 1 24 24 VAL HA H 1 4.142 0.000 . 1 . . . . . 24 VAL HA . 27355 1 108 . 1 1 24 24 VAL HB H 1 2.044 0.013 . 1 . . . . . 24 VAL HB . 27355 1 109 . 1 1 24 24 VAL HG11 H 1 0.905 0.003 . 1 . . . . . 24 VAL HG11 . 27355 1 110 . 1 1 24 24 VAL HG12 H 1 0.905 0.003 . 1 . . . . . 24 VAL HG12 . 27355 1 111 . 1 1 24 24 VAL HG13 H 1 0.905 0.003 . 1 . . . . . 24 VAL HG13 . 27355 1 112 . 1 1 24 24 VAL C C 13 176.136 0.001 . 1 . . . . . 24 VAL C . 27355 1 113 . 1 1 24 24 VAL CA C 13 62.356 0.013 . 1 . . . . . 24 VAL CA . 27355 1 114 . 1 1 24 24 VAL CB C 13 32.833 0.028 . 1 . . . . . 24 VAL CB . 27355 1 115 . 1 1 24 24 VAL N N 15 121.300 0.029 . 1 . . . . . 24 VAL N . 27355 1 116 . 1 1 25 25 SER H H 1 8.436 0.003 . 1 . . . . . 25 SER H . 27355 1 117 . 1 1 25 25 SER HA H 1 4.469 0.003 . 1 . . . . . 25 SER HA . 27355 1 118 . 1 1 25 25 SER HB2 H 1 3.835 0.007 . 1 . . . . . 25 SER HB2 . 27355 1 119 . 1 1 25 25 SER C C 13 174.697 0.003 . 1 . . . . . 25 SER C . 27355 1 120 . 1 1 25 25 SER CA C 13 58.090 0.036 . 1 . . . . . 25 SER CA . 27355 1 121 . 1 1 25 25 SER CB C 13 63.929 0.002 . 1 . . . . . 25 SER CB . 27355 1 122 . 1 1 25 25 SER N N 15 119.656 0.025 . 1 . . . . . 25 SER N . 27355 1 123 . 1 1 26 26 LEU H H 1 8.459 0.002 . 1 . . . . . 26 LEU H . 27355 1 124 . 1 1 26 26 LEU HA H 1 4.388 0.004 . 1 . . . . . 26 LEU HA . 27355 1 125 . 1 1 26 26 LEU HB2 H 1 1.619 0.005 . 1 . . . . . 26 LEU HB2 . 27355 1 126 . 1 1 26 26 LEU C C 13 177.723 0.000 . 1 . . . . . 26 LEU C . 27355 1 127 . 1 1 26 26 LEU CA C 13 55.368 0.026 . 1 . . . . . 26 LEU CA . 27355 1 128 . 1 1 26 26 LEU CB C 13 42.397 0.010 . 1 . . . . . 26 LEU CB . 27355 1 129 . 1 1 26 26 LEU CG C 13 26.838 0.000 . 1 . . . . . 26 LEU CG . 27355 1 130 . 1 1 26 26 LEU CD1 C 13 23.365 0.000 . 2 . . . . . 26 LEU CD1 . 27355 1 131 . 1 1 26 26 LEU CD2 C 13 24.975 0.000 . 2 . . . . . 26 LEU CD2 . 27355 1 132 . 1 1 26 26 LEU N N 15 125.072 0.014 . 1 . . . . . 26 LEU N . 27355 1 133 . 1 1 27 27 GLU H H 1 8.439 0.002 . 1 . . . . . 27 GLU H . 27355 1 134 . 1 1 27 27 GLU HA H 1 4.268 0.000 . 1 . . . . . 27 GLU HA . 27355 1 135 . 1 1 27 27 GLU HB2 H 1 1.964 0.004 . 1 . . . . . 27 GLU HB2 . 27355 1 136 . 1 1 27 27 GLU HG2 H 1 2.226 0.000 . 1 . . . . . 27 GLU HG2 . 27355 1 137 . 1 1 27 27 GLU C C 13 177.234 0.001 . 1 . . . . . 27 GLU C . 27355 1 138 . 1 1 27 27 GLU CA C 13 56.889 0.009 . 1 . . . . . 27 GLU CA . 27355 1 139 . 1 1 27 27 GLU CB C 13 30.072 0.007 . 1 . . . . . 27 GLU CB . 27355 1 140 . 1 1 27 27 GLU N N 15 121.167 0.021 . 1 . . . . . 27 GLU N . 27355 1 141 . 1 1 28 28 GLY H H 1 8.470 0.001 . 1 . . . . . 28 GLY H . 27355 1 142 . 1 1 28 28 GLY HA2 H 1 3.946 0.000 . 1 . . . . . 28 GLY HA2 . 27355 1 143 . 1 1 28 28 GLY C C 13 174.962 0.000 . 1 . . . . . 28 GLY C . 27355 1 144 . 1 1 28 28 GLY CA C 13 45.512 0.001 . 1 . . . . . 28 GLY CA . 27355 1 145 . 1 1 28 28 GLY N N 15 110.223 0.005 . 1 . . . . . 28 GLY N . 27355 1 146 . 1 1 29 29 GLY H H 1 8.281 0.002 . 1 . . . . . 29 GLY H . 27355 1 147 . 1 1 29 29 GLY HA2 H 1 3.950 0.005 . 1 . . . . . 29 GLY HA2 . 27355 1 148 . 1 1 29 29 GLY C C 13 174.223 0.001 . 1 . . . . . 29 GLY C . 27355 1 149 . 1 1 29 29 GLY CA C 13 45.392 0.006 . 1 . . . . . 29 GLY CA . 27355 1 150 . 1 1 29 29 GLY N N 15 108.465 0.042 . 1 . . . . . 29 GLY N . 27355 1 151 . 1 1 30 30 LYS H H 1 8.113 0.002 . 1 . . . . . 30 LYS H . 27355 1 152 . 1 1 30 30 LYS HA H 1 4.335 0.003 . 1 . . . . . 30 LYS HA . 27355 1 153 . 1 1 30 30 LYS HB2 H 1 1.769 0.001 . 1 . . . . . 30 LYS HB2 . 27355 1 154 . 1 1 30 30 LYS HG2 H 1 1.412 0.000 . 1 . . . . . 30 LYS HG2 . 27355 1 155 . 1 1 30 30 LYS C C 13 176.689 0.006 . 1 . . . . . 30 LYS C . 27355 1 156 . 1 1 30 30 LYS CA C 13 56.526 0.015 . 1 . . . . . 30 LYS CA . 27355 1 157 . 1 1 30 30 LYS CB C 13 33.075 0.040 . 1 . . . . . 30 LYS CB . 27355 1 158 . 1 1 30 30 LYS N N 15 120.556 0.009 . 1 . . . . . 30 LYS N . 27355 1 159 . 1 1 31 31 VAL H H 1 8.153 0.003 . 1 . . . . . 31 VAL H . 27355 1 160 . 1 1 31 31 VAL HA H 1 4.084 0.003 . 1 . . . . . 31 VAL HA . 27355 1 161 . 1 1 31 31 VAL HB H 1 2.016 0.002 . 1 . . . . . 31 VAL HB . 27355 1 162 . 1 1 31 31 VAL HG11 H 1 0.918 0.013 . 1 . . . . . 31 VAL HG11 . 27355 1 163 . 1 1 31 31 VAL HG12 H 1 0.918 0.013 . 1 . . . . . 31 VAL HG12 . 27355 1 164 . 1 1 31 31 VAL HG13 H 1 0.918 0.013 . 1 . . . . . 31 VAL HG13 . 27355 1 165 . 1 1 31 31 VAL C C 13 176.159 0.015 . 1 . . . . . 31 VAL C . 27355 1 166 . 1 1 31 31 VAL CA C 13 62.395 0.004 . 1 . . . . . 31 VAL CA . 27355 1 167 . 1 1 31 31 VAL CB C 13 32.673 0.012 . 1 . . . . . 31 VAL CB . 27355 1 168 . 1 1 31 31 VAL N N 15 121.221 0.011 . 1 . . . . . 31 VAL N . 27355 1 169 . 1 1 32 32 LYS H H 1 8.479 0.002 . 1 . . . . . 32 LYS H . 27355 1 170 . 1 1 32 32 LYS HA H 1 4.309 0.003 . 1 . . . . . 32 LYS HA . 27355 1 171 . 1 1 32 32 LYS HB2 H 1 1.775 0.008 . 1 . . . . . 32 LYS HB2 . 27355 1 172 . 1 1 32 32 LYS HG2 H 1 1.441 0.000 . 1 . . . . . 32 LYS HG2 . 27355 1 173 . 1 1 32 32 LYS C C 13 177.027 0.001 . 1 . . . . . 32 LYS C . 27355 1 174 . 1 1 32 32 LYS CA C 13 56.601 0.011 . 1 . . . . . 32 LYS CA . 27355 1 175 . 1 1 32 32 LYS CB C 13 33.030 0.024 . 1 . . . . . 32 LYS CB . 27355 1 176 . 1 1 32 32 LYS N N 15 125.862 0.040 . 1 . . . . . 32 LYS N . 27355 1 177 . 1 1 33 33 GLY H H 1 8.466 0.002 . 1 . . . . . 33 GLY H . 27355 1 178 . 1 1 33 33 GLY HA2 H 1 3.939 0.006 . 1 . . . . . 33 GLY HA2 . 27355 1 179 . 1 1 33 33 GLY C C 13 174.063 0.009 . 1 . . . . . 33 GLY C . 27355 1 180 . 1 1 33 33 GLY CA C 13 45.210 0.008 . 1 . . . . . 33 GLY CA . 27355 1 181 . 1 1 33 33 GLY N N 15 110.363 0.045 . 1 . . . . . 33 GLY N . 27355 1 182 . 1 1 34 34 LYS H H 1 8.253 0.002 . 1 . . . . . 34 LYS H . 27355 1 183 . 1 1 34 34 LYS HA H 1 4.255 0.005 . 1 . . . . . 34 LYS HA . 27355 1 184 . 1 1 34 34 LYS HB2 H 1 1.683 0.008 . 1 . . . . . 34 LYS HB2 . 27355 1 185 . 1 1 34 34 LYS C C 13 176.627 0.001 . 1 . . . . . 34 LYS C . 27355 1 186 . 1 1 34 34 LYS CA C 13 56.479 0.011 . 1 . . . . . 34 LYS CA . 27355 1 187 . 1 1 34 34 LYS CB C 13 33.007 0.039 . 1 . . . . . 34 LYS CB . 27355 1 188 . 1 1 34 34 LYS CG C 13 24.601 0.000 . 1 . . . . . 34 LYS CG . 27355 1 189 . 1 1 34 34 LYS CD C 13 29.025 0.000 . 1 . . . . . 34 LYS CD . 27355 1 190 . 1 1 34 34 LYS N N 15 120.905 0.034 . 1 . . . . . 34 LYS N . 27355 1 191 . 1 1 35 35 HIS H H 1 8.464 0.002 . 1 . . . . . 35 HIS H . 27355 1 192 . 1 1 35 35 HIS HA H 1 4.647 0.015 . 1 . . . . . 35 HIS HA . 27355 1 193 . 1 1 35 35 HIS HB2 H 1 3.157 0.023 . 1 . . . . . 35 HIS HB2 . 27355 1 194 . 1 1 35 35 HIS C C 13 175.665 0.001 . 1 . . . . . 35 HIS C . 27355 1 195 . 1 1 35 35 HIS CA C 13 56.123 0.009 . 1 . . . . . 35 HIS CA . 27355 1 196 . 1 1 35 35 HIS CB C 13 30.195 0.034 . 1 . . . . . 35 HIS CB . 27355 1 197 . 1 1 35 35 HIS N N 15 119.844 0.025 . 1 . . . . . 35 HIS N . 27355 1 198 . 1 1 36 36 GLY H H 1 8.452 0.002 . 1 . . . . . 36 GLY H . 27355 1 199 . 1 1 36 36 GLY HA2 H 1 3.948 0.007 . 1 . . . . . 36 GLY HA2 . 27355 1 200 . 1 1 36 36 GLY C C 13 174.038 0.005 . 1 . . . . . 36 GLY C . 27355 1 201 . 1 1 36 36 GLY CA C 13 45.426 0.031 . 1 . . . . . 36 GLY CA . 27355 1 202 . 1 1 36 36 GLY N N 15 110.092 0.024 . 1 . . . . . 36 GLY N . 27355 1 203 . 1 1 37 37 LYS H H 1 8.294 0.001 . 1 . . . . . 37 LYS H . 27355 1 204 . 1 1 37 37 LYS HA H 1 4.313 0.005 . 1 . . . . . 37 LYS HA . 27355 1 205 . 1 1 37 37 LYS HB2 H 1 1.766 0.016 . 1 . . . . . 37 LYS HB2 . 27355 1 206 . 1 1 37 37 LYS HG2 H 1 1.402 0.000 . 1 . . . . . 37 LYS HG2 . 27355 1 207 . 1 1 37 37 LYS C C 13 176.692 0.002 . 1 . . . . . 37 LYS C . 27355 1 208 . 1 1 37 37 LYS CA C 13 56.480 0.021 . 1 . . . . . 37 LYS CA . 27355 1 209 . 1 1 37 37 LYS CB C 13 33.032 0.013 . 1 . . . . . 37 LYS CB . 27355 1 210 . 1 1 37 37 LYS N N 15 121.102 0.014 . 1 . . . . . 37 LYS N . 27355 1 211 . 1 1 38 38 LEU H H 1 8.252 0.002 . 1 . . . . . 38 LEU H . 27355 1 212 . 1 1 38 38 LEU HA H 1 4.313 0.004 . 1 . . . . . 38 LEU HA . 27355 1 213 . 1 1 38 38 LEU HB2 H 1 1.601 0.007 . 1 . . . . . 38 LEU HB2 . 27355 1 214 . 1 1 38 38 LEU C C 13 177.133 0.005 . 1 . . . . . 38 LEU C . 27355 1 215 . 1 1 38 38 LEU CA C 13 55.240 0.017 . 1 . . . . . 38 LEU CA . 27355 1 216 . 1 1 38 38 LEU CB C 13 42.334 0.022 . 1 . . . . . 38 LEU CB . 27355 1 217 . 1 1 38 38 LEU N N 15 123.172 0.045 . 1 . . . . . 38 LEU N . 27355 1 218 . 1 1 39 39 LYS H H 1 8.245 0.002 . 1 . . . . . 39 LYS H . 27355 1 219 . 1 1 39 39 LYS HA H 1 4.229 0.014 . 1 . . . . . 39 LYS HA . 27355 1 220 . 1 1 39 39 LYS HB2 H 1 1.642 0.003 . 1 . . . . . 39 LYS HB2 . 27355 1 221 . 1 1 39 39 LYS HG2 H 1 1.224 0.000 . 1 . . . . . 39 LYS HG2 . 27355 1 222 . 1 1 39 39 LYS C C 13 176.104 0.001 . 1 . . . . . 39 LYS C . 27355 1 223 . 1 1 39 39 LYS CA C 13 56.385 0.044 . 1 . . . . . 39 LYS CA . 27355 1 224 . 1 1 39 39 LYS CB C 13 33.091 0.001 . 1 . . . . . 39 LYS CB . 27355 1 225 . 1 1 39 39 LYS N N 15 122.290 0.021 . 1 . . . . . 39 LYS N . 27355 1 226 . 1 1 40 40 PHE H H 1 8.282 0.002 . 1 . . . . . 40 PHE H . 27355 1 227 . 1 1 40 40 PHE HA H 1 4.630 0.013 . 1 . . . . . 40 PHE HA . 27355 1 228 . 1 1 40 40 PHE HB2 H 1 3.065 0.004 . 1 . . . . . 40 PHE HB2 . 27355 1 229 . 1 1 40 40 PHE C C 13 176.196 0.000 . 1 . . . . . 40 PHE C . 27355 1 230 . 1 1 40 40 PHE CA C 13 57.921 0.041 . 1 . . . . . 40 PHE CA . 27355 1 231 . 1 1 40 40 PHE CB C 13 39.829 0.019 . 1 . . . . . 40 PHE CB . 27355 1 232 . 1 1 40 40 PHE N N 15 121.216 0.015 . 1 . . . . . 40 PHE N . 27355 1 233 . 1 1 41 41 GLY H H 1 8.321 0.002 . 1 . . . . . 41 GLY H . 27355 1 234 . 1 1 41 41 GLY HA2 H 1 3.908 0.004 . 1 . . . . . 41 GLY HA2 . 27355 1 235 . 1 1 41 41 GLY C C 13 174.083 0.001 . 1 . . . . . 41 GLY C . 27355 1 236 . 1 1 41 41 GLY CA C 13 45.302 0.004 . 1 . . . . . 41 GLY CA . 27355 1 237 . 1 1 41 41 GLY N N 15 110.443 0.020 . 1 . . . . . 41 GLY N . 27355 1 238 . 1 1 42 42 THR H H 1 8.001 0.002 . 1 . . . . . 42 THR H . 27355 1 239 . 1 1 42 42 THR HA H 1 4.285 0.004 . 1 . . . . . 42 THR HA . 27355 1 240 . 1 1 42 42 THR HB H 1 4.112 0.007 . 1 . . . . . 42 THR HB . 27355 1 241 . 1 1 42 42 THR HG21 H 1 1.082 0.001 . 1 . . . . . 42 THR HG21 . 27355 1 242 . 1 1 42 42 THR HG22 H 1 1.082 0.001 . 1 . . . . . 42 THR HG22 . 27355 1 243 . 1 1 42 42 THR HG23 H 1 1.082 0.001 . 1 . . . . . 42 THR HG23 . 27355 1 244 . 1 1 42 42 THR C C 13 174.493 0.001 . 1 . . . . . 42 THR C . 27355 1 245 . 1 1 42 42 THR CA C 13 61.997 0.073 . 1 . . . . . 42 THR CA . 27355 1 246 . 1 1 42 42 THR CB C 13 70.031 0.074 . 1 . . . . . 42 THR CB . 27355 1 247 . 1 1 42 42 THR CG2 C 13 21.538 0.012 . 1 . . . . . 42 THR CG2 . 27355 1 248 . 1 1 42 42 THR N N 15 113.534 0.025 . 1 . . . . . 42 THR N . 27355 1 249 . 1 1 43 43 PHE H H 1 8.406 0.002 . 1 . . . . . 43 PHE H . 27355 1 250 . 1 1 43 43 PHE HA H 1 4.638 0.010 . 1 . . . . . 43 PHE HA . 27355 1 251 . 1 1 43 43 PHE HB2 H 1 3.084 0.007 . 1 . . . . . 43 PHE HB2 . 27355 1 252 . 1 1 43 43 PHE C C 13 176.338 0.002 . 1 . . . . . 43 PHE C . 27355 1 253 . 1 1 43 43 PHE CA C 13 58.038 0.010 . 1 . . . . . 43 PHE CA . 27355 1 254 . 1 1 43 43 PHE CB C 13 39.532 0.026 . 1 . . . . . 43 PHE CB . 27355 1 255 . 1 1 43 43 PHE N N 15 122.579 0.019 . 1 . . . . . 43 PHE N . 27355 1 256 . 1 1 44 44 GLY H H 1 8.392 0.002 . 1 . . . . . 44 GLY H . 27355 1 257 . 1 1 44 44 GLY HA2 H 1 3.891 0.008 . 1 . . . . . 44 GLY HA2 . 27355 1 258 . 1 1 44 44 GLY C C 13 174.557 0.000 . 1 . . . . . 44 GLY C . 27355 1 259 . 1 1 44 44 GLY CA C 13 45.449 0.019 . 1 . . . . . 44 GLY CA . 27355 1 260 . 1 1 44 44 GLY N N 15 111.081 0.012 . 1 . . . . . 44 GLY N . 27355 1 261 . 1 1 45 45 GLY H H 1 7.959 0.002 . 1 . . . . . 45 GLY H . 27355 1 262 . 1 1 45 45 GLY HA2 H 1 3.930 0.007 . 1 . . . . . 45 GLY HA2 . 27355 1 263 . 1 1 45 45 GLY C C 13 174.359 0.000 . 1 . . . . . 45 GLY C . 27355 1 264 . 1 1 45 45 GLY CA C 13 45.175 0.032 . 1 . . . . . 45 GLY CA . 27355 1 265 . 1 1 45 45 GLY N N 15 108.346 0.013 . 1 . . . . . 45 GLY N . 27355 1 266 . 1 1 46 46 LEU H H 1 8.264 0.001 . 1 . . . . . 46 LEU H . 27355 1 267 . 1 1 46 46 LEU HA H 1 4.326 0.004 . 1 . . . . . 46 LEU HA . 27355 1 268 . 1 1 46 46 LEU HB2 H 1 1.633 0.012 . 1 . . . . . 46 LEU HB2 . 27355 1 269 . 1 1 46 46 LEU C C 13 178.249 0.000 . 1 . . . . . 46 LEU C . 27355 1 270 . 1 1 46 46 LEU CA C 13 55.514 0.014 . 1 . . . . . 46 LEU CA . 27355 1 271 . 1 1 46 46 LEU CB C 13 42.365 0.011 . 1 . . . . . 46 LEU CB . 27355 1 272 . 1 1 46 46 LEU CG C 13 26.794 0.000 . 1 . . . . . 46 LEU CG . 27355 1 273 . 1 1 46 46 LEU CD1 C 13 24.898 0.000 . 2 . . . . . 46 LEU CD1 . 27355 1 274 . 1 1 46 46 LEU CD2 C 13 23.394 0.000 . 2 . . . . . 46 LEU CD2 . 27355 1 275 . 1 1 46 46 LEU N N 15 121.698 0.047 . 1 . . . . . 46 LEU N . 27355 1 276 . 1 1 47 47 GLY H H 1 8.540 0.002 . 1 . . . . . 47 GLY H . 27355 1 277 . 1 1 47 47 GLY HA2 H 1 3.962 0.003 . 1 . . . . . 47 GLY HA2 . 27355 1 278 . 1 1 47 47 GLY C C 13 174.472 0.003 . 1 . . . . . 47 GLY C . 27355 1 279 . 1 1 47 47 GLY CA C 13 45.452 0.013 . 1 . . . . . 47 GLY CA . 27355 1 280 . 1 1 47 47 GLY N N 15 109.825 0.017 . 1 . . . . . 47 GLY N . 27355 1 281 . 1 1 48 48 SER H H 1 8.212 0.002 . 1 . . . . . 48 SER H . 27355 1 282 . 1 1 48 48 SER HA H 1 4.404 0.011 . 1 . . . . . 48 SER HA . 27355 1 283 . 1 1 48 48 SER HB2 H 1 3.864 0.003 . 1 . . . . . 48 SER HB2 . 27355 1 284 . 1 1 48 48 SER C C 13 174.941 0.003 . 1 . . . . . 48 SER C . 27355 1 285 . 1 1 48 48 SER CA C 13 58.608 0.028 . 1 . . . . . 48 SER CA . 27355 1 286 . 1 1 48 48 SER CB C 13 63.934 0.014 . 1 . . . . . 48 SER CB . 27355 1 287 . 1 1 48 48 SER N N 15 115.763 0.032 . 1 . . . . . 48 SER N . 27355 1 288 . 1 1 49 49 LYS H H 1 8.412 0.003 . 1 . . . . . 49 LYS H . 27355 1 289 . 1 1 49 49 LYS HA H 1 4.346 0.003 . 1 . . . . . 49 LYS HA . 27355 1 290 . 1 1 49 49 LYS HB2 H 1 1.794 0.012 . 1 . . . . . 49 LYS HB2 . 27355 1 291 . 1 1 49 49 LYS C C 13 176.808 0.001 . 1 . . . . . 49 LYS C . 27355 1 292 . 1 1 49 49 LYS CA C 13 56.612 0.006 . 1 . . . . . 49 LYS CA . 27355 1 293 . 1 1 49 49 LYS CB C 13 32.753 0.019 . 1 . . . . . 49 LYS CB . 27355 1 294 . 1 1 49 49 LYS N N 15 122.992 0.024 . 1 . . . . . 49 LYS N . 27355 1 295 . 1 1 50 50 SER H H 1 8.259 0.002 . 1 . . . . . 50 SER H . 27355 1 296 . 1 1 50 50 SER HA H 1 4.425 0.001 . 1 . . . . . 50 SER HA . 27355 1 297 . 1 1 50 50 SER HB2 H 1 3.862 0.002 . 1 . . . . . 50 SER HB2 . 27355 1 298 . 1 1 50 50 SER C C 13 174.637 0.003 . 1 . . . . . 50 SER C . 27355 1 299 . 1 1 50 50 SER CA C 13 58.511 0.009 . 1 . . . . . 50 SER CA . 27355 1 300 . 1 1 50 50 SER CB C 13 63.915 0.019 . 1 . . . . . 50 SER CB . 27355 1 301 . 1 1 50 50 SER N N 15 116.617 0.018 . 1 . . . . . 50 SER N . 27355 1 302 . 1 1 51 51 LYS H H 1 8.382 0.002 . 1 . . . . . 51 LYS H . 27355 1 303 . 1 1 51 51 LYS HA H 1 4.309 0.006 . 1 . . . . . 51 LYS HA . 27355 1 304 . 1 1 51 51 LYS HB2 H 1 1.789 0.002 . 1 . . . . . 51 LYS HB2 . 27355 1 305 . 1 1 51 51 LYS C C 13 177.036 0.000 . 1 . . . . . 51 LYS C . 27355 1 306 . 1 1 51 51 LYS CA C 13 56.711 0.023 . 1 . . . . . 51 LYS CA . 27355 1 307 . 1 1 51 51 LYS CB C 13 32.916 0.026 . 1 . . . . . 51 LYS CB . 27355 1 308 . 1 1 51 51 LYS N N 15 123.165 0.026 . 1 . . . . . 51 LYS N . 27355 1 309 . 1 1 52 52 GLY H H 1 8.393 0.002 . 1 . . . . . 52 GLY H . 27355 1 310 . 1 1 52 52 GLY HA2 H 1 3.871 0.005 . 1 . . . . . 52 GLY HA2 . 27355 1 311 . 1 1 52 52 GLY C C 13 173.667 0.002 . 1 . . . . . 52 GLY C . 27355 1 312 . 1 1 52 52 GLY CA C 13 45.222 0.013 . 1 . . . . . 52 GLY CA . 27355 1 313 . 1 1 52 52 GLY N N 15 109.547 0.012 . 1 . . . . . 52 GLY N . 27355 1 314 . 1 1 53 53 HIS H H 1 8.178 0.003 . 1 . . . . . 53 HIS H . 27355 1 315 . 1 1 53 53 HIS HA H 1 4.583 0.009 . 1 . . . . . 53 HIS HA . 27355 1 316 . 1 1 53 53 HIS HB2 H 1 3.048 0.005 . 1 . . . . . 53 HIS HB2 . 27355 1 317 . 1 1 53 53 HIS C C 13 174.491 0.002 . 1 . . . . . 53 HIS C . 27355 1 318 . 1 1 53 53 HIS CA C 13 55.866 0.020 . 1 . . . . . 53 HIS CA . 27355 1 319 . 1 1 53 53 HIS CB C 13 30.039 0.041 . 1 . . . . . 53 HIS CB . 27355 1 320 . 1 1 53 53 HIS N N 15 118.961 0.024 . 1 . . . . . 53 HIS N . 27355 1 321 . 1 1 54 54 TYR H H 1 8.177 0.002 . 1 . . . . . 54 TYR H . 27355 1 322 . 1 1 54 54 TYR HA H 1 4.543 0.002 . 1 . . . . . 54 TYR HA . 27355 1 323 . 1 1 54 54 TYR HB2 H 1 2.875 0.002 . 2 . . . . . 54 TYR HB2 . 27355 1 324 . 1 1 54 54 TYR HB3 H 1 3.008 0.001 . 2 . . . . . 54 TYR HB3 . 27355 1 325 . 1 1 54 54 TYR C C 13 175.312 0.002 . 1 . . . . . 54 TYR C . 27355 1 326 . 1 1 54 54 TYR CA C 13 57.901 0.029 . 1 . . . . . 54 TYR CA . 27355 1 327 . 1 1 54 54 TYR CB C 13 38.885 0.041 . 1 . . . . . 54 TYR CB . 27355 1 328 . 1 1 54 54 TYR N N 15 121.722 0.019 . 1 . . . . . 54 TYR N . 27355 1 329 . 1 1 55 55 GLU H H 1 8.343 0.002 . 1 . . . . . 55 GLU H . 27355 1 330 . 1 1 55 55 GLU HA H 1 4.297 0.002 . 1 . . . . . 55 GLU HA . 27355 1 331 . 1 1 55 55 GLU HB2 H 1 1.880 0.009 . 1 . . . . . 55 GLU HB2 . 27355 1 332 . 1 1 55 55 GLU HG2 H 1 2.188 0.000 . 1 . . . . . 55 GLU HG2 . 27355 1 333 . 1 1 55 55 GLU C C 13 175.952 0.001 . 1 . . . . . 55 GLU C . 27355 1 334 . 1 1 55 55 GLU CA C 13 56.325 0.065 . 1 . . . . . 55 GLU CA . 27355 1 335 . 1 1 55 55 GLU CB C 13 30.552 0.029 . 1 . . . . . 55 GLU CB . 27355 1 336 . 1 1 55 55 GLU N N 15 123.002 0.027 . 1 . . . . . 55 GLU N . 27355 1 337 . 1 1 56 56 VAL H H 1 8.270 0.002 . 1 . . . . . 56 VAL H . 27355 1 338 . 1 1 56 56 VAL HA H 1 4.172 0.008 . 1 . . . . . 56 VAL HA . 27355 1 339 . 1 1 56 56 VAL HB H 1 2.083 0.008 . 1 . . . . . 56 VAL HB . 27355 1 340 . 1 1 56 56 VAL HG11 H 1 0.935 0.004 . 1 . . . . . 56 VAL HG11 . 27355 1 341 . 1 1 56 56 VAL HG12 H 1 0.935 0.004 . 1 . . . . . 56 VAL HG12 . 27355 1 342 . 1 1 56 56 VAL HG13 H 1 0.935 0.004 . 1 . . . . . 56 VAL HG13 . 27355 1 343 . 1 1 56 56 VAL C C 13 176.493 0.002 . 1 . . . . . 56 VAL C . 27355 1 344 . 1 1 56 56 VAL CA C 13 62.391 0.009 . 1 . . . . . 56 VAL CA . 27355 1 345 . 1 1 56 56 VAL CB C 13 32.701 0.024 . 1 . . . . . 56 VAL CB . 27355 1 346 . 1 1 56 56 VAL N N 15 121.749 0.020 . 1 . . . . . 56 VAL N . 27355 1 347 . 1 1 57 57 THR H H 1 8.345 0.002 . 1 . . . . . 57 THR H . 27355 1 348 . 1 1 57 57 THR HA H 1 4.380 0.008 . 1 . . . . . 57 THR HA . 27355 1 349 . 1 1 57 57 THR HB H 1 4.219 0.004 . 1 . . . . . 57 THR HB . 27355 1 350 . 1 1 57 57 THR HG21 H 1 1.214 0.000 . 1 . . . . . 57 THR HG21 . 27355 1 351 . 1 1 57 57 THR HG22 H 1 1.214 0.000 . 1 . . . . . 57 THR HG22 . 27355 1 352 . 1 1 57 57 THR HG23 H 1 1.214 0.000 . 1 . . . . . 57 THR HG23 . 27355 1 353 . 1 1 57 57 THR C C 13 175.110 0.001 . 1 . . . . . 57 THR C . 27355 1 354 . 1 1 57 57 THR CA C 13 62.094 0.038 . 1 . . . . . 57 THR CA . 27355 1 355 . 1 1 57 57 THR CB C 13 70.154 0.014 . 1 . . . . . 57 THR CB . 27355 1 356 . 1 1 57 57 THR CG2 C 13 21.526 0.000 . 1 . . . . . 57 THR CG2 . 27355 1 357 . 1 1 57 57 THR N N 15 118.028 0.033 . 1 . . . . . 57 THR N . 27355 1 358 . 1 1 58 58 GLY H H 1 8.488 0.002 . 1 . . . . . 58 GLY H . 27355 1 359 . 1 1 58 58 GLY HA2 H 1 4.018 0.003 . 1 . . . . . 58 GLY HA2 . 27355 1 360 . 1 1 58 58 GLY C C 13 174.173 0.000 . 1 . . . . . 58 GLY C . 27355 1 361 . 1 1 58 58 GLY CA C 13 45.392 0.016 . 1 . . . . . 58 GLY CA . 27355 1 362 . 1 1 58 58 GLY N N 15 111.609 0.010 . 1 . . . . . 58 GLY N . 27355 1 363 . 1 1 59 59 SER H H 1 8.303 0.002 . 1 . . . . . 59 SER H . 27355 1 364 . 1 1 59 59 SER HA H 1 4.481 0.006 . 1 . . . . . 59 SER HA . 27355 1 365 . 1 1 59 59 SER HB2 H 1 3.864 0.006 . 1 . . . . . 59 SER HB2 . 27355 1 366 . 1 1 59 59 SER C C 13 174.500 0.000 . 1 . . . . . 59 SER C . 27355 1 367 . 1 1 59 59 SER CA C 13 58.316 0.007 . 1 . . . . . 59 SER CA . 27355 1 368 . 1 1 59 59 SER CB C 13 64.126 0.015 . 1 . . . . . 59 SER CB . 27355 1 369 . 1 1 59 59 SER N N 15 115.689 0.013 . 1 . . . . . 59 SER N . 27355 1 370 . 1 1 60 60 ASP H H 1 8.521 0.002 . 1 . . . . . 60 ASP H . 27355 1 371 . 1 1 60 60 ASP HA H 1 4.618 0.008 . 1 . . . . . 60 ASP HA . 27355 1 372 . 1 1 60 60 ASP HB2 H 1 2.671 0.011 . 1 . . . . . 60 ASP HB2 . 27355 1 373 . 1 1 60 60 ASP C C 13 176.107 0.000 . 1 . . . . . 60 ASP C . 27355 1 374 . 1 1 60 60 ASP CA C 13 54.583 0.021 . 1 . . . . . 60 ASP CA . 27355 1 375 . 1 1 60 60 ASP CB C 13 41.139 0.018 . 1 . . . . . 60 ASP CB . 27355 1 376 . 1 1 60 60 ASP N N 15 122.411 0.026 . 1 . . . . . 60 ASP N . 27355 1 377 . 1 1 61 61 ASP H H 1 8.263 0.002 . 1 . . . . . 61 ASP H . 27355 1 378 . 1 1 61 61 ASP HA H 1 4.580 0.006 . 1 . . . . . 61 ASP HA . 27355 1 379 . 1 1 61 61 ASP HB2 H 1 2.677 0.005 . 1 . . . . . 61 ASP HB2 . 27355 1 380 . 1 1 61 61 ASP C C 13 176.763 0.002 . 1 . . . . . 61 ASP C . 27355 1 381 . 1 1 61 61 ASP CA C 13 54.627 0.019 . 1 . . . . . 61 ASP CA . 27355 1 382 . 1 1 61 61 ASP CB C 13 41.243 0.047 . 1 . . . . . 61 ASP CB . 27355 1 383 . 1 1 61 61 ASP N N 15 120.352 0.027 . 1 . . . . . 61 ASP N . 27355 1 384 . 1 1 62 62 GLU H H 1 8.502 0.002 . 1 . . . . . 62 GLU H . 27355 1 385 . 1 1 62 62 GLU HA H 1 4.285 0.016 . 1 . . . . . 62 GLU HA . 27355 1 386 . 1 1 62 62 GLU HB2 H 1 2.030 0.022 . 1 . . . . . 62 GLU HB2 . 27355 1 387 . 1 1 62 62 GLU HG2 H 1 2.238 0.004 . 1 . . . . . 62 GLU HG2 . 27355 1 388 . 1 1 62 62 GLU C C 13 177.448 0.001 . 1 . . . . . 62 GLU C . 27355 1 389 . 1 1 62 62 GLU CA C 13 57.221 0.018 . 1 . . . . . 62 GLU CA . 27355 1 390 . 1 1 62 62 GLU CB C 13 29.939 0.006 . 1 . . . . . 62 GLU CB . 27355 1 391 . 1 1 62 62 GLU CG C 13 36.296 0.000 . 1 . . . . . 62 GLU CG . 27355 1 392 . 1 1 62 62 GLU N N 15 121.440 0.015 . 1 . . . . . 62 GLU N . 27355 1 393 . 1 1 63 63 THR H H 1 8.265 0.002 . 1 . . . . . 63 THR H . 27355 1 394 . 1 1 63 63 THR HA H 1 4.228 0.008 . 1 . . . . . 63 THR HA . 27355 1 395 . 1 1 63 63 THR HG21 H 1 1.230 0.003 . 1 . . . . . 63 THR HG21 . 27355 1 396 . 1 1 63 63 THR HG22 H 1 1.230 0.003 . 1 . . . . . 63 THR HG22 . 27355 1 397 . 1 1 63 63 THR HG23 H 1 1.230 0.003 . 1 . . . . . 63 THR HG23 . 27355 1 398 . 1 1 63 63 THR C C 13 175.925 0.001 . 1 . . . . . 63 THR C . 27355 1 399 . 1 1 63 63 THR CA C 13 63.438 0.081 . 1 . . . . . 63 THR CA . 27355 1 400 . 1 1 63 63 THR CB C 13 69.630 0.021 . 1 . . . . . 63 THR CB . 27355 1 401 . 1 1 63 63 THR CG2 C 13 21.654 0.005 . 1 . . . . . 63 THR CG2 . 27355 1 402 . 1 1 63 63 THR N N 15 114.120 0.019 . 1 . . . . . 63 THR N . 27355 1 403 . 1 1 64 64 GLY H H 1 8.433 0.002 . 1 . . . . . 64 GLY H . 27355 1 404 . 1 1 64 64 GLY HA2 H 1 3.956 0.008 . 1 . . . . . 64 GLY HA2 . 27355 1 405 . 1 1 64 64 GLY C C 13 174.576 0.001 . 1 . . . . . 64 GLY C . 27355 1 406 . 1 1 64 64 GLY CA C 13 45.750 0.008 . 1 . . . . . 64 GLY CA . 27355 1 407 . 1 1 64 64 GLY N N 15 111.149 0.022 . 1 . . . . . 64 GLY N . 27355 1 408 . 1 1 65 65 LYS H H 1 7.974 0.002 . 1 . . . . . 65 LYS H . 27355 1 409 . 1 1 65 65 LYS HA H 1 4.281 0.005 . 1 . . . . . 65 LYS HA . 27355 1 410 . 1 1 65 65 LYS HB2 H 1 1.784 0.005 . 1 . . . . . 65 LYS HB2 . 27355 1 411 . 1 1 65 65 LYS HG2 H 1 1.408 0.000 . 1 . . . . . 65 LYS HG2 . 27355 1 412 . 1 1 65 65 LYS HE2 H 1 2.972 0.000 . 1 . . . . . 65 LYS HE2 . 27355 1 413 . 1 1 65 65 LYS C C 13 176.976 0.001 . 1 . . . . . 65 LYS C . 27355 1 414 . 1 1 65 65 LYS CA C 13 56.731 0.011 . 1 . . . . . 65 LYS CA . 27355 1 415 . 1 1 65 65 LYS CB C 13 32.960 0.012 . 1 . . . . . 65 LYS CB . 27355 1 416 . 1 1 65 65 LYS N N 15 120.508 0.030 . 1 . . . . . 65 LYS N . 27355 1 417 . 1 1 66 66 LEU H H 1 8.254 0.003 . 1 . . . . . 66 LEU H . 27355 1 418 . 1 1 66 66 LEU HA H 1 4.332 0.004 . 1 . . . . . 66 LEU HA . 27355 1 419 . 1 1 66 66 LEU HB2 H 1 1.632 0.010 . 1 . . . . . 66 LEU HB2 . 27355 1 420 . 1 1 66 66 LEU C C 13 177.615 0.002 . 1 . . . . . 66 LEU C . 27355 1 421 . 1 1 66 66 LEU CA C 13 55.399 0.033 . 1 . . . . . 66 LEU CA . 27355 1 422 . 1 1 66 66 LEU CB C 13 42.069 0.058 . 1 . . . . . 66 LEU CB . 27355 1 423 . 1 1 66 66 LEU N N 15 122.448 0.047 . 1 . . . . . 66 LEU N . 27355 1 424 . 1 1 67 67 GLN H H 1 8.370 0.002 . 1 . . . . . 67 GLN H . 27355 1 425 . 1 1 67 67 GLN HA H 1 4.310 0.008 . 1 . . . . . 67 GLN HA . 27355 1 426 . 1 1 67 67 GLN HB2 H 1 2.031 0.023 . 1 . . . . . 67 GLN HB2 . 27355 1 427 . 1 1 67 67 GLN HG2 H 1 2.372 0.000 . 1 . . . . . 67 GLN HG2 . 27355 1 428 . 1 1 67 67 GLN C C 13 176.597 0.002 . 1 . . . . . 67 GLN C . 27355 1 429 . 1 1 67 67 GLN CA C 13 56.133 0.001 . 1 . . . . . 67 GLN CA . 27355 1 430 . 1 1 67 67 GLN CB C 13 29.344 0.050 . 1 . . . . . 67 GLN CB . 27355 1 431 . 1 1 67 67 GLN N N 15 121.099 0.030 . 1 . . . . . 67 GLN N . 27355 1 432 . 1 1 68 68 GLY H H 1 8.461 0.003 . 1 . . . . . 68 GLY H . 27355 1 433 . 1 1 68 68 GLY HA2 H 1 4.008 0.007 . 1 . . . . . 68 GLY HA2 . 27355 1 434 . 1 1 68 68 GLY C C 13 174.354 0.004 . 1 . . . . . 68 GLY C . 27355 1 435 . 1 1 68 68 GLY CA C 13 45.441 0.011 . 1 . . . . . 68 GLY CA . 27355 1 436 . 1 1 68 68 GLY N N 15 110.261 0.028 . 1 . . . . . 68 GLY N . 27355 1 437 . 1 1 69 69 SER H H 1 8.337 0.002 . 1 . . . . . 69 SER H . 27355 1 438 . 1 1 69 69 SER HA H 1 4.443 0.005 . 1 . . . . . 69 SER HA . 27355 1 439 . 1 1 69 69 SER HB2 H 1 3.908 0.005 . 1 . . . . . 69 SER HB2 . 27355 1 440 . 1 1 69 69 SER C C 13 175.292 0.003 . 1 . . . . . 69 SER C . 27355 1 441 . 1 1 69 69 SER CA C 13 58.649 0.004 . 1 . . . . . 69 SER CA . 27355 1 442 . 1 1 69 69 SER CB C 13 63.973 0.011 . 1 . . . . . 69 SER CB . 27355 1 443 . 1 1 69 69 SER N N 15 115.707 0.023 . 1 . . . . . 69 SER N . 27355 1 444 . 1 1 70 70 GLY H H 1 8.561 0.003 . 1 . . . . . 70 GLY H . 27355 1 445 . 1 1 70 70 GLY HA2 H 1 3.986 0.004 . 1 . . . . . 70 GLY HA2 . 27355 1 446 . 1 1 70 70 GLY C C 13 174.283 0.002 . 1 . . . . . 70 GLY C . 27355 1 447 . 1 1 70 70 GLY CA C 13 45.497 0.003 . 1 . . . . . 70 GLY CA . 27355 1 448 . 1 1 70 70 GLY N N 15 111.102 0.019 . 1 . . . . . 70 GLY N . 27355 1 449 . 1 1 71 71 VAL H H 1 7.947 0.002 . 1 . . . . . 71 VAL H . 27355 1 450 . 1 1 71 71 VAL HA H 1 4.181 0.024 . 1 . . . . . 71 VAL HA . 27355 1 451 . 1 1 71 71 VAL HB H 1 2.086 0.035 . 1 . . . . . 71 VAL HB . 27355 1 452 . 1 1 71 71 VAL HG11 H 1 0.910 0.008 . 1 . . . . . 71 VAL HG11 . 27355 1 453 . 1 1 71 71 VAL HG12 H 1 0.910 0.008 . 1 . . . . . 71 VAL HG12 . 27355 1 454 . 1 1 71 71 VAL HG13 H 1 0.910 0.008 . 1 . . . . . 71 VAL HG13 . 27355 1 455 . 1 1 71 71 VAL C C 13 176.361 0.000 . 1 . . . . . 71 VAL C . 27355 1 456 . 1 1 71 71 VAL CA C 13 62.374 0.010 . 1 . . . . . 71 VAL CA . 27355 1 457 . 1 1 71 71 VAL CB C 13 32.737 0.018 . 1 . . . . . 71 VAL CB . 27355 1 458 . 1 1 71 71 VAL N N 15 119.265 0.036 . 1 . . . . . 71 VAL N . 27355 1 459 . 1 1 72 72 SER H H 1 8.423 0.002 . 1 . . . . . 72 SER H . 27355 1 460 . 1 1 72 72 SER HA H 1 4.472 0.029 . 1 . . . . . 72 SER HA . 27355 1 461 . 1 1 72 72 SER HB2 H 1 3.880 0.002 . 1 . . . . . 72 SER HB2 . 27355 1 462 . 1 1 72 72 SER C C 13 174.915 0.014 . 1 . . . . . 72 SER C . 27355 1 463 . 1 1 72 72 SER CA C 13 58.285 0.033 . 1 . . . . . 72 SER CA . 27355 1 464 . 1 1 72 72 SER CB C 13 63.890 0.017 . 1 . . . . . 72 SER CB . 27355 1 465 . 1 1 72 72 SER N N 15 119.212 0.037 . 1 . . . . . 72 SER N . 27355 1 466 . 1 1 73 73 LEU H H 1 8.409 0.002 . 1 . . . . . 73 LEU H . 27355 1 467 . 1 1 73 73 LEU HA H 1 4.308 0.006 . 1 . . . . . 73 LEU HA . 27355 1 468 . 1 1 73 73 LEU HB2 H 1 1.629 0.007 . 1 . . . . . 73 LEU HB2 . 27355 1 469 . 1 1 73 73 LEU C C 13 177.632 0.001 . 1 . . . . . 73 LEU C . 27355 1 470 . 1 1 73 73 LEU CA C 13 55.566 0.015 . 1 . . . . . 73 LEU CA . 27355 1 471 . 1 1 73 73 LEU CB C 13 42.202 0.033 . 1 . . . . . 73 LEU CB . 27355 1 472 . 1 1 73 73 LEU N N 15 124.997 0.040 . 1 . . . . . 73 LEU N . 27355 1 473 . 1 1 74 74 ALA H H 1 8.262 0.002 . 1 . . . . . 74 ALA H . 27355 1 474 . 1 1 74 74 ALA HA H 1 4.270 0.009 . 1 . . . . . 74 ALA HA . 27355 1 475 . 1 1 74 74 ALA HB1 H 1 1.386 0.004 . 1 . . . . . 74 ALA HB1 . 27355 1 476 . 1 1 74 74 ALA HB2 H 1 1.386 0.004 . 1 . . . . . 74 ALA HB2 . 27355 1 477 . 1 1 74 74 ALA HB3 H 1 1.386 0.004 . 1 . . . . . 74 ALA HB3 . 27355 1 478 . 1 1 74 74 ALA C C 13 178.199 0.002 . 1 . . . . . 74 ALA C . 27355 1 479 . 1 1 74 74 ALA CA C 13 53.010 0.033 . 1 . . . . . 74 ALA CA . 27355 1 480 . 1 1 74 74 ALA CB C 13 19.017 0.016 . 1 . . . . . 74 ALA CB . 27355 1 481 . 1 1 74 74 ALA N N 15 124.015 0.019 . 1 . . . . . 74 ALA N . 27355 1 482 . 1 1 75 75 SER H H 1 8.183 0.002 . 1 . . . . . 75 SER H . 27355 1 483 . 1 1 75 75 SER HA H 1 4.382 0.000 . 1 . . . . . 75 SER HA . 27355 1 484 . 1 1 75 75 SER HB2 H 1 3.897 0.009 . 1 . . . . . 75 SER HB2 . 27355 1 485 . 1 1 75 75 SER C C 13 174.999 0.005 . 1 . . . . . 75 SER C . 27355 1 486 . 1 1 75 75 SER CA C 13 58.639 0.019 . 1 . . . . . 75 SER CA . 27355 1 487 . 1 1 75 75 SER CB C 13 63.851 0.007 . 1 . . . . . 75 SER CB . 27355 1 488 . 1 1 75 75 SER N N 15 114.784 0.019 . 1 . . . . . 75 SER N . 27355 1 489 . 1 1 76 76 LYS H H 1 8.281 0.002 . 1 . . . . . 76 LYS H . 27355 1 490 . 1 1 76 76 LYS HA H 1 4.292 0.002 . 1 . . . . . 76 LYS HA . 27355 1 491 . 1 1 76 76 LYS HB2 H 1 1.823 0.002 . 1 . . . . . 76 LYS HB2 . 27355 1 492 . 1 1 76 76 LYS C C 13 176.949 0.006 . 1 . . . . . 76 LYS C . 27355 1 493 . 1 1 76 76 LYS CA C 13 56.767 0.001 . 1 . . . . . 76 LYS CA . 27355 1 494 . 1 1 76 76 LYS CB C 13 32.793 0.012 . 1 . . . . . 76 LYS CB . 27355 1 495 . 1 1 76 76 LYS N N 15 123.320 0.020 . 1 . . . . . 76 LYS N . 27355 1 496 . 1 1 77 77 LYS H H 1 8.276 0.002 . 1 . . . . . 77 LYS H . 27355 1 497 . 1 1 77 77 LYS HA H 1 4.307 0.015 . 1 . . . . . 77 LYS HA . 27355 1 498 . 1 1 77 77 LYS HB2 H 1 1.804 0.005 . 1 . . . . . 77 LYS HB2 . 27355 1 499 . 1 1 77 77 LYS C C 13 176.944 0.000 . 1 . . . . . 77 LYS C . 27355 1 500 . 1 1 77 77 LYS CA C 13 56.748 0.010 . 1 . . . . . 77 LYS CA . 27355 1 501 . 1 1 77 77 LYS CB C 13 32.947 0.022 . 1 . . . . . 77 LYS CB . 27355 1 502 . 1 1 77 77 LYS N N 15 121.868 0.024 . 1 . . . . . 77 LYS N . 27355 1 503 . 1 1 78 78 SER H H 1 8.300 0.002 . 1 . . . . . 78 SER H . 27355 1 504 . 1 1 78 78 SER HA H 1 4.421 0.013 . 1 . . . . . 78 SER HA . 27355 1 505 . 1 1 78 78 SER HB2 H 1 3.879 0.012 . 1 . . . . . 78 SER HB2 . 27355 1 506 . 1 1 78 78 SER C C 13 174.719 0.014 . 1 . . . . . 78 SER C . 27355 1 507 . 1 1 78 78 SER CA C 13 58.581 0.024 . 1 . . . . . 78 SER CA . 27355 1 508 . 1 1 78 78 SER CB C 13 63.916 0.027 . 1 . . . . . 78 SER CB . 27355 1 509 . 1 1 78 78 SER N N 15 116.971 0.019 . 1 . . . . . 78 SER N . 27355 1 510 . 1 1 79 79 ARG H H 1 8.394 0.002 . 1 . . . . . 79 ARG H . 27355 1 511 . 1 1 79 79 ARG HA H 1 4.341 0.010 . 1 . . . . . 79 ARG HA . 27355 1 512 . 1 1 79 79 ARG HB2 H 1 1.810 0.025 . 2 . . . . . 79 ARG HB2 . 27355 1 513 . 1 1 79 79 ARG HB3 H 1 1.884 0.000 . 2 . . . . . 79 ARG HB3 . 27355 1 514 . 1 1 79 79 ARG HG2 H 1 1.634 0.003 . 1 . . . . . 79 ARG HG2 . 27355 1 515 . 1 1 79 79 ARG HD2 H 1 3.195 0.001 . 1 . . . . . 79 ARG HD2 . 27355 1 516 . 1 1 79 79 ARG C C 13 176.473 0.004 . 1 . . . . . 79 ARG C . 27355 1 517 . 1 1 79 79 ARG CA C 13 56.499 0.030 . 1 . . . . . 79 ARG CA . 27355 1 518 . 1 1 79 79 ARG CB C 13 30.683 0.077 . 1 . . . . . 79 ARG CB . 27355 1 519 . 1 1 79 79 ARG CG C 13 27.120 0.053 . 1 . . . . . 79 ARG CG . 27355 1 520 . 1 1 79 79 ARG CD C 13 43.380 0.015 . 1 . . . . . 79 ARG CD . 27355 1 521 . 1 1 79 79 ARG N N 15 123.090 0.077 . 1 . . . . . 79 ARG N . 27355 1 522 . 1 1 80 80 LEU H H 1 8.263 0.002 . 1 . . . . . 80 LEU H . 27355 1 523 . 1 1 80 80 LEU HA H 1 4.370 0.013 . 1 . . . . . 80 LEU HA . 27355 1 524 . 1 1 80 80 LEU HB2 H 1 1.635 0.010 . 1 . . . . . 80 LEU HB2 . 27355 1 525 . 1 1 80 80 LEU C C 13 177.656 0.011 . 1 . . . . . 80 LEU C . 27355 1 526 . 1 1 80 80 LEU CA C 13 55.346 0.042 . 1 . . . . . 80 LEU CA . 27355 1 527 . 1 1 80 80 LEU CB C 13 42.361 0.013 . 1 . . . . . 80 LEU CB . 27355 1 528 . 1 1 80 80 LEU N N 15 122.790 0.029 . 1 . . . . . 80 LEU N . 27355 1 529 . 1 1 81 81 SER H H 1 8.329 0.002 . 1 . . . . . 81 SER H . 27355 1 530 . 1 1 81 81 SER HA H 1 4.468 0.000 . 1 . . . . . 81 SER HA . 27355 1 531 . 1 1 81 81 SER HB2 H 1 3.897 0.000 . 1 . . . . . 81 SER HB2 . 27355 1 532 . 1 1 81 81 SER C C 13 174.761 0.000 . 1 . . . . . 81 SER C . 27355 1 533 . 1 1 81 81 SER CA C 13 58.413 0.000 . 1 . . . . . 81 SER CA . 27355 1 534 . 1 1 81 81 SER CB C 13 63.890 0.000 . 1 . . . . . 81 SER CB . 27355 1 535 . 1 1 81 81 SER N N 15 116.653 0.020 . 1 . . . . . 81 SER N . 27355 1 536 . 1 1 83 83 SER HA H 1 4.511 0.000 . 1 . . . . . 83 SER HA . 27355 1 537 . 1 1 83 83 SER HB2 H 1 3.903 0.005 . 1 . . . . . 83 SER HB2 . 27355 1 538 . 1 1 83 83 SER CA C 13 58.501 0.000 . 1 . . . . . 83 SER CA . 27355 1 539 . 1 1 83 83 SER CB C 13 63.917 0.000 . 1 . . . . . 83 SER CB . 27355 1 540 . 1 1 84 84 SER H H 1 8.402 0.001 . 1 . . . . . 84 SER H . 27355 1 541 . 1 1 84 84 SER HA H 1 4.512 0.008 . 1 . . . . . 84 SER HA . 27355 1 542 . 1 1 84 84 SER HB2 H 1 3.901 0.008 . 1 . . . . . 84 SER HB2 . 27355 1 543 . 1 1 84 84 SER C C 13 174.736 0.001 . 1 . . . . . 84 SER C . 27355 1 544 . 1 1 84 84 SER CA C 13 58.519 0.009 . 1 . . . . . 84 SER CA . 27355 1 545 . 1 1 84 84 SER CB C 13 63.911 0.026 . 1 . . . . . 84 SER CB . 27355 1 546 . 1 1 84 84 SER N N 15 117.830 0.006 . 1 . . . . . 84 SER N . 27355 1 547 . 1 1 85 85 SER H H 1 8.376 0.001 . 1 . . . . . 85 SER H . 27355 1 548 . 1 1 85 85 SER HA H 1 4.461 0.000 . 1 . . . . . 85 SER HA . 27355 1 549 . 1 1 85 85 SER HB2 H 1 3.876 0.005 . 1 . . . . . 85 SER HB2 . 27355 1 550 . 1 1 85 85 SER C C 13 174.457 0.002 . 1 . . . . . 85 SER C . 27355 1 551 . 1 1 85 85 SER CA C 13 58.612 0.027 . 1 . . . . . 85 SER CA . 27355 1 552 . 1 1 85 85 SER CB C 13 63.876 0.008 . 1 . . . . . 85 SER CB . 27355 1 553 . 1 1 85 85 SER N N 15 117.706 0.006 . 1 . . . . . 85 SER N . 27355 1 554 . 1 1 86 86 ASN H H 1 8.465 0.002 . 1 . . . . . 86 ASN H . 27355 1 555 . 1 1 86 86 ASN HA H 1 4.756 0.025 . 1 . . . . . 86 ASN HA . 27355 1 556 . 1 1 86 86 ASN HB2 H 1 2.812 0.003 . 1 . . . . . 86 ASN HB2 . 27355 1 557 . 1 1 86 86 ASN C C 13 175.090 0.000 . 1 . . . . . 86 ASN C . 27355 1 558 . 1 1 86 86 ASN CA C 13 53.520 0.018 . 1 . . . . . 86 ASN CA . 27355 1 559 . 1 1 86 86 ASN CB C 13 38.903 0.016 . 1 . . . . . 86 ASN CB . 27355 1 560 . 1 1 86 86 ASN N N 15 120.691 0.026 . 1 . . . . . 86 ASN N . 27355 1 561 . 1 1 87 87 ASP H H 1 8.299 0.002 . 1 . . . . . 87 ASP H . 27355 1 562 . 1 1 87 87 ASP HA H 1 4.646 0.014 . 1 . . . . . 87 ASP HA . 27355 1 563 . 1 1 87 87 ASP HB2 H 1 2.690 0.004 . 1 . . . . . 87 ASP HB2 . 27355 1 564 . 1 1 87 87 ASP C C 13 176.651 0.005 . 1 . . . . . 87 ASP C . 27355 1 565 . 1 1 87 87 ASP CA C 13 54.540 0.028 . 1 . . . . . 87 ASP CA . 27355 1 566 . 1 1 87 87 ASP CB C 13 41.246 0.035 . 1 . . . . . 87 ASP CB . 27355 1 567 . 1 1 87 87 ASP N N 15 121.029 0.018 . 1 . . . . . 87 ASP N . 27355 1 568 . 1 1 88 88 SER H H 1 8.348 0.002 . 1 . . . . . 88 SER H . 27355 1 569 . 1 1 88 88 SER HA H 1 4.391 0.007 . 1 . . . . . 88 SER HA . 27355 1 570 . 1 1 88 88 SER HB2 H 1 3.922 0.006 . 1 . . . . . 88 SER HB2 . 27355 1 571 . 1 1 88 88 SER C C 13 175.382 0.002 . 1 . . . . . 88 SER C . 27355 1 572 . 1 1 88 88 SER CA C 13 59.209 0.037 . 1 . . . . . 88 SER CA . 27355 1 573 . 1 1 88 88 SER CB C 13 63.853 0.009 . 1 . . . . . 88 SER CB . 27355 1 574 . 1 1 88 88 SER N N 15 116.493 0.031 . 1 . . . . . 88 SER N . 27355 1 575 . 1 1 89 89 GLY H H 1 8.482 0.002 . 1 . . . . . 89 GLY H . 27355 1 576 . 1 1 89 89 GLY HA2 H 1 3.956 0.006 . 1 . . . . . 89 GLY HA2 . 27355 1 577 . 1 1 89 89 GLY C C 13 174.104 0.000 . 1 . . . . . 89 GLY C . 27355 1 578 . 1 1 89 89 GLY CA C 13 45.508 0.016 . 1 . . . . . 89 GLY CA . 27355 1 579 . 1 1 89 89 GLY N N 15 110.518 0.045 . 1 . . . . . 89 GLY N . 27355 1 580 . 1 1 90 90 ASN H H 1 8.225 0.002 . 1 . . . . . 90 ASN H . 27355 1 581 . 1 1 90 90 ASN HA H 1 4.724 0.038 . 1 . . . . . 90 ASN HA . 27355 1 582 . 1 1 90 90 ASN HB2 H 1 2.781 0.003 . 1 . . . . . 90 ASN HB2 . 27355 1 583 . 1 1 90 90 ASN C C 13 175.300 0.004 . 1 . . . . . 90 ASN C . 27355 1 584 . 1 1 90 90 ASN CA C 13 53.332 0.017 . 1 . . . . . 90 ASN CA . 27355 1 585 . 1 1 90 90 ASN CB C 13 38.848 0.011 . 1 . . . . . 90 ASN CB . 27355 1 586 . 1 1 90 90 ASN N N 15 118.651 0.008 . 1 . . . . . 90 ASN N . 27355 1 587 . 1 1 91 91 LYS H H 1 8.339 0.002 . 1 . . . . . 91 LYS H . 27355 1 588 . 1 1 91 91 LYS HA H 1 4.352 0.002 . 1 . . . . . 91 LYS HA . 27355 1 589 . 1 1 91 91 LYS HB2 H 1 1.774 0.000 . 1 . . . . . 91 LYS HB2 . 27355 1 590 . 1 1 91 91 LYS HG2 H 1 1.417 0.000 . 1 . . . . . 91 LYS HG2 . 27355 1 591 . 1 1 91 91 LYS C C 13 176.576 0.001 . 1 . . . . . 91 LYS C . 27355 1 592 . 1 1 91 91 LYS CA C 13 56.451 0.009 . 1 . . . . . 91 LYS CA . 27355 1 593 . 1 1 91 91 LYS CB C 13 32.902 0.014 . 1 . . . . . 91 LYS CB . 27355 1 594 . 1 1 91 91 LYS N N 15 121.895 0.014 . 1 . . . . . 91 LYS N . 27355 1 595 . 1 1 92 92 VAL H H 1 8.139 0.002 . 1 . . . . . 92 VAL H . 27355 1 596 . 1 1 92 92 VAL HA H 1 4.102 0.004 . 1 . . . . . 92 VAL HA . 27355 1 597 . 1 1 92 92 VAL HB H 1 2.073 0.001 . 1 . . . . . 92 VAL HB . 27355 1 598 . 1 1 92 92 VAL HG11 H 1 0.933 0.000 . 1 . . . . . 92 VAL HG11 . 27355 1 599 . 1 1 92 92 VAL HG12 H 1 0.933 0.000 . 1 . . . . . 92 VAL HG12 . 27355 1 600 . 1 1 92 92 VAL HG13 H 1 0.933 0.000 . 1 . . . . . 92 VAL HG13 . 27355 1 601 . 1 1 92 92 VAL C C 13 176.689 0.001 . 1 . . . . . 92 VAL C . 27355 1 602 . 1 1 92 92 VAL CA C 13 62.547 0.009 . 1 . . . . . 92 VAL CA . 27355 1 603 . 1 1 92 92 VAL CB C 13 32.706 0.031 . 1 . . . . . 92 VAL CB . 27355 1 604 . 1 1 92 92 VAL N N 15 121.076 0.005 . 1 . . . . . 92 VAL N . 27355 1 605 . 1 1 93 93 GLY H H 1 8.483 0.001 . 1 . . . . . 93 GLY H . 27355 1 606 . 1 1 93 93 GLY HA2 H 1 3.948 0.004 . 1 . . . . . 93 GLY HA2 . 27355 1 607 . 1 1 93 93 GLY C C 13 173.914 0.000 . 1 . . . . . 93 GLY C . 27355 1 608 . 1 1 93 93 GLY CA C 13 45.252 0.052 . 1 . . . . . 93 GLY CA . 27355 1 609 . 1 1 93 93 GLY N N 15 112.693 0.019 . 1 . . . . . 93 GLY N . 27355 1 610 . 1 1 94 94 ILE H H 1 7.973 0.003 . 1 . . . . . 94 ILE H . 27355 1 611 . 1 1 94 94 ILE HA H 1 4.157 0.005 . 1 . . . . . 94 ILE HA . 27355 1 612 . 1 1 94 94 ILE HB H 1 1.821 0.010 . 1 . . . . . 94 ILE HB . 27355 1 613 . 1 1 94 94 ILE HG12 H 1 1.148 0.002 . 2 . . . . . 94 ILE HG12 . 27355 1 614 . 1 1 94 94 ILE HG13 H 1 1.436 0.016 . 2 . . . . . 94 ILE HG13 . 27355 1 615 . 1 1 94 94 ILE HG21 H 1 0.872 0.003 . 1 . . . . . 94 ILE HG21 . 27355 1 616 . 1 1 94 94 ILE HG22 H 1 0.872 0.003 . 1 . . . . . 94 ILE HG22 . 27355 1 617 . 1 1 94 94 ILE HG23 H 1 0.872 0.003 . 1 . . . . . 94 ILE HG23 . 27355 1 618 . 1 1 94 94 ILE HD11 H 1 0.849 0.004 . 1 . . . . . 94 ILE HD11 . 27355 1 619 . 1 1 94 94 ILE HD12 H 1 0.849 0.004 . 1 . . . . . 94 ILE HD12 . 27355 1 620 . 1 1 94 94 ILE HD13 H 1 0.849 0.004 . 1 . . . . . 94 ILE HD13 . 27355 1 621 . 1 1 94 94 ILE C C 13 176.044 0.001 . 1 . . . . . 94 ILE C . 27355 1 622 . 1 1 94 94 ILE CA C 13 60.998 0.051 . 1 . . . . . 94 ILE CA . 27355 1 623 . 1 1 94 94 ILE CB C 13 38.922 0.061 . 1 . . . . . 94 ILE CB . 27355 1 624 . 1 1 94 94 ILE CG1 C 13 27.145 0.082 . 1 . . . . . 94 ILE CG1 . 27355 1 625 . 1 1 94 94 ILE CG2 C 13 17.462 0.075 . 1 . . . . . 94 ILE CG2 . 27355 1 626 . 1 1 94 94 ILE CD1 C 13 13.011 0.086 . 1 . . . . . 94 ILE CD1 . 27355 1 627 . 1 1 94 94 ILE N N 15 120.221 0.063 . 1 . . . . . 94 ILE N . 27355 1 628 . 1 1 95 95 GLN H H 1 8.500 0.002 . 1 . . . . . 95 GLN H . 27355 1 629 . 1 1 95 95 GLN HA H 1 4.370 0.005 . 1 . . . . . 95 GLN HA . 27355 1 630 . 1 1 95 95 GLN HB2 H 1 1.978 0.013 . 1 . . . . . 95 GLN HB2 . 27355 1 631 . 1 1 95 95 GLN HG2 H 1 2.324 0.007 . 1 . . . . . 95 GLN HG2 . 27355 1 632 . 1 1 95 95 GLN C C 13 175.438 0.001 . 1 . . . . . 95 GLN C . 27355 1 633 . 1 1 95 95 GLN CA C 13 55.303 0.013 . 1 . . . . . 95 GLN CA . 27355 1 634 . 1 1 95 95 GLN CB C 13 29.538 0.005 . 1 . . . . . 95 GLN CB . 27355 1 635 . 1 1 95 95 GLN CG C 13 33.722 0.000 . 1 . . . . . 95 GLN CG . 27355 1 636 . 1 1 95 95 GLN N N 15 125.088 0.039 . 1 . . . . . 95 GLN N . 27355 1 637 . 1 1 96 96 LEU H H 1 8.440 0.002 . 1 . . . . . 96 LEU H . 27355 1 638 . 1 1 96 96 LEU HA H 1 4.594 0.002 . 1 . . . . . 96 LEU HA . 27355 1 639 . 1 1 96 96 LEU HB2 H 1 1.596 0.012 . 1 . . . . . 96 LEU HB2 . 27355 1 640 . 1 1 96 96 LEU HD11 H 1 0.933 0.000 . 2 . . . . . 96 LEU HD11 . 27355 1 641 . 1 1 96 96 LEU HD12 H 1 0.933 0.000 . 2 . . . . . 96 LEU HD12 . 27355 1 642 . 1 1 96 96 LEU HD13 H 1 0.933 0.000 . 2 . . . . . 96 LEU HD13 . 27355 1 643 . 1 1 96 96 LEU HD21 H 1 0.902 0.000 . 2 . . . . . 96 LEU HD21 . 27355 1 644 . 1 1 96 96 LEU HD22 H 1 0.902 0.000 . 2 . . . . . 96 LEU HD22 . 27355 1 645 . 1 1 96 96 LEU HD23 H 1 0.902 0.000 . 2 . . . . . 96 LEU HD23 . 27355 1 646 . 1 1 96 96 LEU C C 13 175.223 0.000 . 1 . . . . . 96 LEU C . 27355 1 647 . 1 1 96 96 LEU CA C 13 53.128 0.054 . 1 . . . . . 96 LEU CA . 27355 1 648 . 1 1 96 96 LEU CB C 13 41.540 0.010 . 1 . . . . . 96 LEU CB . 27355 1 649 . 1 1 96 96 LEU N N 15 126.220 0.042 . 1 . . . . . 96 LEU N . 27355 1 650 . 1 1 97 97 PRO HA H 1 4.412 0.006 . 1 . . . . . 97 PRO HA . 27355 1 651 . 1 1 97 97 PRO HB2 H 1 2.294 0.006 . 2 . . . . . 97 PRO HB2 . 27355 1 652 . 1 1 97 97 PRO HB3 H 1 1.888 0.006 . 2 . . . . . 97 PRO HB3 . 27355 1 653 . 1 1 97 97 PRO HG2 H 1 2.024 0.004 . 1 . . . . . 97 PRO HG2 . 27355 1 654 . 1 1 97 97 PRO HD2 H 1 3.647 0.009 . 2 . . . . . 97 PRO HD2 . 27355 1 655 . 1 1 97 97 PRO HD3 H 1 3.817 0.007 . 2 . . . . . 97 PRO HD3 . 27355 1 656 . 1 1 97 97 PRO C C 13 176.903 0.000 . 1 . . . . . 97 PRO C . 27355 1 657 . 1 1 97 97 PRO CA C 13 63.200 0.080 . 1 . . . . . 97 PRO CA . 27355 1 658 . 1 1 97 97 PRO CB C 13 32.083 0.048 . 1 . . . . . 97 PRO CB . 27355 1 659 . 1 1 97 97 PRO CG C 13 27.419 0.081 . 1 . . . . . 97 PRO CG . 27355 1 660 . 1 1 97 97 PRO CD C 13 50.587 0.085 . 1 . . . . . 97 PRO CD . 27355 1 661 . 1 1 98 98 GLU H H 1 8.537 0.002 . 1 . . . . . 98 GLU H . 27355 1 662 . 1 1 98 98 GLU HA H 1 4.248 0.013 . 1 . . . . . 98 GLU HA . 27355 1 663 . 1 1 98 98 GLU HB2 H 1 1.956 0.009 . 1 . . . . . 98 GLU HB2 . 27355 1 664 . 1 1 98 98 GLU HG2 H 1 2.263 0.012 . 1 . . . . . 98 GLU HG2 . 27355 1 665 . 1 1 98 98 GLU C C 13 176.746 0.000 . 1 . . . . . 98 GLU C . 27355 1 666 . 1 1 98 98 GLU CA C 13 56.793 0.013 . 1 . . . . . 98 GLU CA . 27355 1 667 . 1 1 98 98 GLU CB C 13 30.163 0.008 . 1 . . . . . 98 GLU CB . 27355 1 668 . 1 1 98 98 GLU N N 15 121.249 0.015 . 1 . . . . . 98 GLU N . 27355 1 669 . 1 1 99 99 VAL H H 1 8.146 0.003 . 1 . . . . . 99 VAL H . 27355 1 670 . 1 1 99 99 VAL HA H 1 4.088 0.011 . 1 . . . . . 99 VAL HA . 27355 1 671 . 1 1 99 99 VAL HB H 1 2.050 0.005 . 1 . . . . . 99 VAL HB . 27355 1 672 . 1 1 99 99 VAL HG11 H 1 0.924 0.008 . 1 . . . . . 99 VAL HG11 . 27355 1 673 . 1 1 99 99 VAL HG12 H 1 0.924 0.008 . 1 . . . . . 99 VAL HG12 . 27355 1 674 . 1 1 99 99 VAL HG13 H 1 0.924 0.008 . 1 . . . . . 99 VAL HG13 . 27355 1 675 . 1 1 99 99 VAL C C 13 176.047 0.007 . 1 . . . . . 99 VAL C . 27355 1 676 . 1 1 99 99 VAL CA C 13 62.382 0.008 . 1 . . . . . 99 VAL CA . 27355 1 677 . 1 1 99 99 VAL CB C 13 32.836 0.023 . 1 . . . . . 99 VAL CB . 27355 1 678 . 1 1 99 99 VAL CG1 C 13 20.762 0.000 . 1 . . . . . 99 VAL CG1 . 27355 1 679 . 1 1 99 99 VAL N N 15 121.113 0.045 . 1 . . . . . 99 VAL N . 27355 1 680 . 1 1 100 100 GLU H H 1 8.464 0.002 . 1 . . . . . 100 GLU H . 27355 1 681 . 1 1 100 100 GLU HA H 1 4.280 0.011 . 1 . . . . . 100 GLU HA . 27355 1 682 . 1 1 100 100 GLU HB2 H 1 1.946 0.000 . 2 . . . . . 100 GLU HB2 . 27355 1 683 . 1 1 100 100 GLU HB3 H 1 1.990 0.006 . 2 . . . . . 100 GLU HB3 . 27355 1 684 . 1 1 100 100 GLU HG2 H 1 2.233 0.007 . 1 . . . . . 100 GLU HG2 . 27355 1 685 . 1 1 100 100 GLU C C 13 176.412 0.001 . 1 . . . . . 100 GLU C . 27355 1 686 . 1 1 100 100 GLU CA C 13 56.588 0.001 . 1 . . . . . 100 GLU CA . 27355 1 687 . 1 1 100 100 GLU CB C 13 30.253 0.011 . 1 . . . . . 100 GLU CB . 27355 1 688 . 1 1 100 100 GLU CG C 13 36.274 0.000 . 1 . . . . . 100 GLU CG . 27355 1 689 . 1 1 100 100 GLU N N 15 124.859 0.044 . 1 . . . . . 100 GLU N . 27355 1 690 . 1 1 101 101 LEU H H 1 8.350 0.002 . 1 . . . . . 101 LEU H . 27355 1 691 . 1 1 101 101 LEU HA H 1 4.354 0.001 . 1 . . . . . 101 LEU HA . 27355 1 692 . 1 1 101 101 LEU HB2 H 1 1.627 0.007 . 1 . . . . . 101 LEU HB2 . 27355 1 693 . 1 1 101 101 LEU C C 13 177.543 0.005 . 1 . . . . . 101 LEU C . 27355 1 694 . 1 1 101 101 LEU CA C 13 55.311 0.019 . 1 . . . . . 101 LEU CA . 27355 1 695 . 1 1 101 101 LEU CB C 13 42.442 0.048 . 1 . . . . . 101 LEU CB . 27355 1 696 . 1 1 101 101 LEU CG C 13 26.798 0.000 . 1 . . . . . 101 LEU CG . 27355 1 697 . 1 1 101 101 LEU CD1 C 13 24.860 0.000 . 2 . . . . . 101 LEU CD1 . 27355 1 698 . 1 1 101 101 LEU CD2 C 13 23.439 0.000 . 2 . . . . . 101 LEU CD2 . 27355 1 699 . 1 1 101 101 LEU N N 15 124.142 0.026 . 1 . . . . . 101 LEU N . 27355 1 700 . 1 1 102 102 SER H H 1 8.359 0.002 . 1 . . . . . 102 SER H . 27355 1 701 . 1 1 102 102 SER HA H 1 4.465 0.009 . 1 . . . . . 102 SER HA . 27355 1 702 . 1 1 102 102 SER HB2 H 1 3.867 0.004 . 1 . . . . . 102 SER HB2 . 27355 1 703 . 1 1 102 102 SER C C 13 174.651 0.003 . 1 . . . . . 102 SER C . 27355 1 704 . 1 1 102 102 SER CA C 13 58.287 0.030 . 1 . . . . . 102 SER CA . 27355 1 705 . 1 1 102 102 SER CB C 13 63.791 0.014 . 1 . . . . . 102 SER CB . 27355 1 706 . 1 1 102 102 SER N N 15 116.949 0.026 . 1 . . . . . 102 SER N . 27355 1 707 . 1 1 103 103 VAL H H 1 8.154 0.002 . 1 . . . . . 103 VAL H . 27355 1 708 . 1 1 103 103 VAL HA H 1 4.140 0.010 . 1 . . . . . 103 VAL HA . 27355 1 709 . 1 1 103 103 VAL HB H 1 2.070 0.011 . 1 . . . . . 103 VAL HB . 27355 1 710 . 1 1 103 103 VAL HG11 H 1 0.924 0.011 . 1 . . . . . 103 VAL HG11 . 27355 1 711 . 1 1 103 103 VAL HG12 H 1 0.924 0.011 . 1 . . . . . 103 VAL HG12 . 27355 1 712 . 1 1 103 103 VAL HG13 H 1 0.924 0.011 . 1 . . . . . 103 VAL HG13 . 27355 1 713 . 1 1 103 103 VAL C C 13 176.373 0.011 . 1 . . . . . 103 VAL C . 27355 1 714 . 1 1 103 103 VAL CA C 13 62.354 0.052 . 1 . . . . . 103 VAL CA . 27355 1 715 . 1 1 103 103 VAL CB C 13 32.734 0.018 . 1 . . . . . 103 VAL CB . 27355 1 716 . 1 1 103 103 VAL N N 15 121.522 0.029 . 1 . . . . . 103 VAL N . 27355 1 717 . 1 1 104 104 SER H H 1 8.449 0.002 . 1 . . . . . 104 SER H . 27355 1 718 . 1 1 104 104 SER HA H 1 4.527 0.001 . 1 . . . . . 104 SER HA . 27355 1 719 . 1 1 104 104 SER HB2 H 1 3.873 0.003 . 1 . . . . . 104 SER HB2 . 27355 1 720 . 1 1 104 104 SER C C 13 174.913 0.001 . 1 . . . . . 104 SER C . 27355 1 721 . 1 1 104 104 SER CA C 13 58.272 0.064 . 1 . . . . . 104 SER CA . 27355 1 722 . 1 1 104 104 SER CB C 13 63.937 0.040 . 1 . . . . . 104 SER CB . 27355 1 723 . 1 1 104 104 SER N N 15 119.608 0.051 . 1 . . . . . 104 SER N . 27355 1 724 . 1 1 105 105 THR H H 1 8.212 0.002 . 1 . . . . . 105 THR H . 27355 1 725 . 1 1 105 105 THR HA H 1 4.311 0.031 . 1 . . . . . 105 THR HA . 27355 1 726 . 1 1 105 105 THR HG21 H 1 1.205 0.001 . 1 . . . . . 105 THR HG21 . 27355 1 727 . 1 1 105 105 THR HG22 H 1 1.205 0.001 . 1 . . . . . 105 THR HG22 . 27355 1 728 . 1 1 105 105 THR HG23 H 1 1.205 0.001 . 1 . . . . . 105 THR HG23 . 27355 1 729 . 1 1 105 105 THR C C 13 174.354 0.003 . 1 . . . . . 105 THR C . 27355 1 730 . 1 1 105 105 THR CA C 13 62.041 0.054 . 1 . . . . . 105 THR CA . 27355 1 731 . 1 1 105 105 THR CB C 13 69.810 0.034 . 1 . . . . . 105 THR CB . 27355 1 732 . 1 1 105 105 THR CG2 C 13 21.646 0.037 . 1 . . . . . 105 THR CG2 . 27355 1 733 . 1 1 105 105 THR N N 15 116.586 0.019 . 1 . . . . . 105 THR N . 27355 1 734 . 1 1 106 106 LYS H H 1 8.287 0.001 . 1 . . . . . 106 LYS H . 27355 1 735 . 1 1 106 106 LYS HA H 1 4.322 0.007 . 1 . . . . . 106 LYS HA . 27355 1 736 . 1 1 106 106 LYS HB2 H 1 1.788 0.009 . 1 . . . . . 106 LYS HB2 . 27355 1 737 . 1 1 106 106 LYS HG2 H 1 1.405 0.003 . 1 . . . . . 106 LYS HG2 . 27355 1 738 . 1 1 106 106 LYS C C 13 176.186 0.001 . 1 . . . . . 106 LYS C . 27355 1 739 . 1 1 106 106 LYS CA C 13 56.441 0.009 . 1 . . . . . 106 LYS CA . 27355 1 740 . 1 1 106 106 LYS CB C 13 33.102 0.023 . 1 . . . . . 106 LYS CB . 27355 1 741 . 1 1 106 106 LYS CG C 13 24.603 0.000 . 1 . . . . . 106 LYS CG . 27355 1 742 . 1 1 106 106 LYS CD C 13 29.177 0.000 . 1 . . . . . 106 LYS CD . 27355 1 743 . 1 1 106 106 LYS N N 15 124.396 0.021 . 1 . . . . . 106 LYS N . 27355 1 744 . 1 1 107 107 LYS H H 1 8.488 0.003 . 1 . . . . . 107 LYS H . 27355 1 745 . 1 1 107 107 LYS HA H 1 4.333 0.010 . 1 . . . . . 107 LYS HA . 27355 1 746 . 1 1 107 107 LYS HB2 H 1 1.751 0.002 . 2 . . . . . 107 LYS HB2 . 27355 1 747 . 1 1 107 107 LYS HB3 H 1 1.821 0.021 . 2 . . . . . 107 LYS HB3 . 27355 1 748 . 1 1 107 107 LYS HG2 H 1 1.431 0.007 . 2 . . . . . 107 LYS HG2 . 27355 1 749 . 1 1 107 107 LYS HG3 H 1 1.386 0.001 . 2 . . . . . 107 LYS HG3 . 27355 1 750 . 1 1 107 107 LYS HD2 H 1 1.664 0.004 . 1 . . . . . 107 LYS HD2 . 27355 1 751 . 1 1 107 107 LYS HE2 H 1 2.977 0.003 . 1 . . . . . 107 LYS HE2 . 27355 1 752 . 1 1 107 107 LYS C C 13 175.586 0.002 . 1 . . . . . 107 LYS C . 27355 1 753 . 1 1 107 107 LYS CA C 13 56.405 0.065 . 1 . . . . . 107 LYS CA . 27355 1 754 . 1 1 107 107 LYS CB C 13 33.082 0.041 . 1 . . . . . 107 LYS CB . 27355 1 755 . 1 1 107 107 LYS CG C 13 24.735 0.063 . 1 . . . . . 107 LYS CG . 27355 1 756 . 1 1 107 107 LYS CD C 13 29.066 0.053 . 1 . . . . . 107 LYS CD . 27355 1 757 . 1 1 107 107 LYS CE C 13 42.189 0.040 . 1 . . . . . 107 LYS CE . 27355 1 758 . 1 1 107 107 LYS N N 15 124.777 0.049 . 1 . . . . . 107 LYS N . 27355 1 759 . 1 1 108 108 GLU H H 1 8.058 0.002 . 1 . . . . . 108 GLU H . 27355 1 760 . 1 1 108 108 GLU HA H 1 4.123 0.006 . 1 . . . . . 108 GLU HA . 27355 1 761 . 1 1 108 108 GLU HB2 H 1 1.885 0.012 . 2 . . . . . 108 GLU HB2 . 27355 1 762 . 1 1 108 108 GLU HB3 H 1 2.031 0.008 . 2 . . . . . 108 GLU HB3 . 27355 1 763 . 1 1 108 108 GLU HG2 H 1 2.178 0.009 . 1 . . . . . 108 GLU HG2 . 27355 1 764 . 1 1 108 108 GLU C C 13 181.027 0.000 . 1 . . . . . 108 GLU C . 27355 1 765 . 1 1 108 108 GLU CA C 13 57.946 0.072 . 1 . . . . . 108 GLU CA . 27355 1 766 . 1 1 108 108 GLU CB C 13 31.079 0.203 . 1 . . . . . 108 GLU CB . 27355 1 767 . 1 1 108 108 GLU CG C 13 36.510 0.073 . 1 . . . . . 108 GLU CG . 27355 1 768 . 1 1 108 108 GLU N N 15 127.724 0.022 . 1 . . . . . 108 GLU N . 27355 1 stop_ save_