data_50523 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50523 _Entry.Title ; SsoSSB 1-114 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-20 _Entry.Accession_date 2020-10-20 _Entry.Last_release_date 2020-10-20 _Entry.Original_release_date 2020-10-20 _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 'Min June' Yang . . . . 50523 2 Chin-Ju Park . . . . 50523 3 Woonghee Lee . . . . 50523 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50523 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 483 50523 '15N chemical shifts' 116 50523 '1H chemical shifts' 756 50523 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 . . 2021-06-30 . original BMRB . 50523 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50523 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33405014 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Resonance assignments and secondary structure of thermophile single-stranded DNA binding protein from Sulfolobus solfataricus at 323K. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 159 _Citation.Page_last 164 _Citation.Year 2021 _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 'Min June' Yang M. J. . . 50523 1 2 Woonghee Lee W. . . . 50523 1 3 Chin-Ju Park C. J. . . 50523 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50523 _Assembly.ID 1 _Assembly.Name SsoSSB _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 SsoSSB 1 $entity_1 . . yes native no no . . . 50523 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50523 _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 ; MEEKVGNLKPNMESVNVTVR VLEASEARQIQTKNGVRTIS EAIVGDETGRVKLTLWGKHA GSIKEGQVVKIENAWTTAFK GQVQLNAGSKTKIAEASEDG FPESSQIPENTPTAENLYFQ SGSHHHHHH ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_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 . 50523 1 2 . GLU . 50523 1 3 . GLU . 50523 1 4 . LYS . 50523 1 5 . VAL . 50523 1 6 . GLY . 50523 1 7 . ASN . 50523 1 8 . LEU . 50523 1 9 . LYS . 50523 1 10 . PRO . 50523 1 11 . ASN . 50523 1 12 . MET . 50523 1 13 . GLU . 50523 1 14 . SER . 50523 1 15 . VAL . 50523 1 16 . ASN . 50523 1 17 . VAL . 50523 1 18 . THR . 50523 1 19 . VAL . 50523 1 20 . ARG . 50523 1 21 . VAL . 50523 1 22 . LEU . 50523 1 23 . GLU . 50523 1 24 . ALA . 50523 1 25 . SER . 50523 1 26 . GLU . 50523 1 27 . ALA . 50523 1 28 . ARG . 50523 1 29 . GLN . 50523 1 30 . ILE . 50523 1 31 . GLN . 50523 1 32 . THR . 50523 1 33 . LYS . 50523 1 34 . ASN . 50523 1 35 . GLY . 50523 1 36 . VAL . 50523 1 37 . ARG . 50523 1 38 . THR . 50523 1 39 . ILE . 50523 1 40 . SER . 50523 1 41 . GLU . 50523 1 42 . ALA . 50523 1 43 . ILE . 50523 1 44 . VAL . 50523 1 45 . GLY . 50523 1 46 . ASP . 50523 1 47 . GLU . 50523 1 48 . THR . 50523 1 49 . GLY . 50523 1 50 . ARG . 50523 1 51 . VAL . 50523 1 52 . LYS . 50523 1 53 . LEU . 50523 1 54 . THR . 50523 1 55 . LEU . 50523 1 56 . TRP . 50523 1 57 . GLY . 50523 1 58 . LYS . 50523 1 59 . HIS . 50523 1 60 . ALA . 50523 1 61 . GLY . 50523 1 62 . SER . 50523 1 63 . ILE . 50523 1 64 . LYS . 50523 1 65 . GLU . 50523 1 66 . GLY . 50523 1 67 . GLN . 50523 1 68 . VAL . 50523 1 69 . VAL . 50523 1 70 . LYS . 50523 1 71 . ILE . 50523 1 72 . GLU . 50523 1 73 . ASN . 50523 1 74 . ALA . 50523 1 75 . TRP . 50523 1 76 . THR . 50523 1 77 . THR . 50523 1 78 . ALA . 50523 1 79 . PHE . 50523 1 80 . LYS . 50523 1 81 . GLY . 50523 1 82 . GLN . 50523 1 83 . VAL . 50523 1 84 . GLN . 50523 1 85 . LEU . 50523 1 86 . ASN . 50523 1 87 . ALA . 50523 1 88 . GLY . 50523 1 89 . SER . 50523 1 90 . LYS . 50523 1 91 . THR . 50523 1 92 . LYS . 50523 1 93 . ILE . 50523 1 94 . ALA . 50523 1 95 . GLU . 50523 1 96 . ALA . 50523 1 97 . SER . 50523 1 98 . GLU . 50523 1 99 . ASP . 50523 1 100 . GLY . 50523 1 101 . PHE . 50523 1 102 . PRO . 50523 1 103 . GLU . 50523 1 104 . SER . 50523 1 105 . SER . 50523 1 106 . GLN . 50523 1 107 . ILE . 50523 1 108 . PRO . 50523 1 109 . GLU . 50523 1 110 . ASN . 50523 1 111 . THR . 50523 1 112 . PRO . 50523 1 113 . THR . 50523 1 114 . ALA . 50523 1 115 . GLU . 50523 1 116 . ASN . 50523 1 117 . LEU . 50523 1 118 . TYR . 50523 1 119 . PHE . 50523 1 120 . GLN . 50523 1 121 . SER . 50523 1 122 . GLY . 50523 1 123 . SER . 50523 1 124 . HIS . 50523 1 125 . HIS . 50523 1 126 . HIS . 50523 1 127 . HIS . 50523 1 128 . HIS . 50523 1 129 . HIS . 50523 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 50523 1 . GLU 2 2 50523 1 . GLU 3 3 50523 1 . LYS 4 4 50523 1 . VAL 5 5 50523 1 . GLY 6 6 50523 1 . ASN 7 7 50523 1 . LEU 8 8 50523 1 . LYS 9 9 50523 1 . PRO 10 10 50523 1 . ASN 11 11 50523 1 . MET 12 12 50523 1 . GLU 13 13 50523 1 . SER 14 14 50523 1 . VAL 15 15 50523 1 . ASN 16 16 50523 1 . VAL 17 17 50523 1 . THR 18 18 50523 1 . VAL 19 19 50523 1 . ARG 20 20 50523 1 . VAL 21 21 50523 1 . LEU 22 22 50523 1 . GLU 23 23 50523 1 . ALA 24 24 50523 1 . SER 25 25 50523 1 . GLU 26 26 50523 1 . ALA 27 27 50523 1 . ARG 28 28 50523 1 . GLN 29 29 50523 1 . ILE 30 30 50523 1 . GLN 31 31 50523 1 . THR 32 32 50523 1 . LYS 33 33 50523 1 . ASN 34 34 50523 1 . GLY 35 35 50523 1 . VAL 36 36 50523 1 . ARG 37 37 50523 1 . THR 38 38 50523 1 . ILE 39 39 50523 1 . SER 40 40 50523 1 . GLU 41 41 50523 1 . ALA 42 42 50523 1 . ILE 43 43 50523 1 . VAL 44 44 50523 1 . GLY 45 45 50523 1 . ASP 46 46 50523 1 . GLU 47 47 50523 1 . THR 48 48 50523 1 . GLY 49 49 50523 1 . ARG 50 50 50523 1 . VAL 51 51 50523 1 . LYS 52 52 50523 1 . LEU 53 53 50523 1 . THR 54 54 50523 1 . LEU 55 55 50523 1 . TRP 56 56 50523 1 . GLY 57 57 50523 1 . LYS 58 58 50523 1 . HIS 59 59 50523 1 . ALA 60 60 50523 1 . GLY 61 61 50523 1 . SER 62 62 50523 1 . ILE 63 63 50523 1 . LYS 64 64 50523 1 . GLU 65 65 50523 1 . GLY 66 66 50523 1 . GLN 67 67 50523 1 . VAL 68 68 50523 1 . VAL 69 69 50523 1 . LYS 70 70 50523 1 . ILE 71 71 50523 1 . GLU 72 72 50523 1 . ASN 73 73 50523 1 . ALA 74 74 50523 1 . TRP 75 75 50523 1 . THR 76 76 50523 1 . THR 77 77 50523 1 . ALA 78 78 50523 1 . PHE 79 79 50523 1 . LYS 80 80 50523 1 . GLY 81 81 50523 1 . GLN 82 82 50523 1 . VAL 83 83 50523 1 . GLN 84 84 50523 1 . LEU 85 85 50523 1 . ASN 86 86 50523 1 . ALA 87 87 50523 1 . GLY 88 88 50523 1 . SER 89 89 50523 1 . LYS 90 90 50523 1 . THR 91 91 50523 1 . LYS 92 92 50523 1 . ILE 93 93 50523 1 . ALA 94 94 50523 1 . GLU 95 95 50523 1 . ALA 96 96 50523 1 . SER 97 97 50523 1 . GLU 98 98 50523 1 . ASP 99 99 50523 1 . GLY 100 100 50523 1 . PHE 101 101 50523 1 . PRO 102 102 50523 1 . GLU 103 103 50523 1 . SER 104 104 50523 1 . SER 105 105 50523 1 . GLN 106 106 50523 1 . ILE 107 107 50523 1 . PRO 108 108 50523 1 . GLU 109 109 50523 1 . ASN 110 110 50523 1 . THR 111 111 50523 1 . PRO 112 112 50523 1 . THR 113 113 50523 1 . ALA 114 114 50523 1 . GLU 115 115 50523 1 . ASN 116 116 50523 1 . LEU 117 117 50523 1 . TYR 118 118 50523 1 . PHE 119 119 50523 1 . GLN 120 120 50523 1 . SER 121 121 50523 1 . GLY 122 122 50523 1 . SER 123 123 50523 1 . HIS 124 124 50523 1 . HIS 125 125 50523 1 . HIS 126 126 50523 1 . HIS 127 127 50523 1 . HIS 128 128 50523 1 . HIS 129 129 50523 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 50523 _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 . 2287 organism . 'Sulfolobus solfataricus' 'Sulfolobus solfataricus' . . Archaea . Saccharolobus solfataricus . . . . . . . . . . . . . 50523 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 50523 _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 . . . plasmid . . 'pET C-terminal TEV His6 cloning vector with BioBrick polycistronic restriction sites (9Bc)' . . . 50523 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50523 _Sample.ID 1 _Sample.Name SsoSSB _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 SsoSSB '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 50523 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 50523 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'SsoSSB NMR' _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 6.0 . pH 50523 1 pressure 1 . atm 50523 1 temperature 323 . K 50523 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50523 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50523 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 50523 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE NEO 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 50523 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50523 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50523 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50523 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50523 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50523 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 50523 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name H2O _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 H 1 water protons . . . . ppm 4.7 na direct 1 . . . . . 50523 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 50523 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SsoSSB _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' . . . 50523 1 2 '3D HNCO' . . . 50523 1 3 '3D HN(CA)CO' . . . 50523 1 4 '3D HNCACB' . . . 50523 1 5 '3D CBCA(CO)NH' . . . 50523 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 . . 50523 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 2 2 GLU HA H 1 4.959 0.00 . . . . . . . 2 GLU HA . 50523 1 2 . 1 . 1 2 2 GLU HB2 H 1 2.123 0.00 . . . . . . . 2 GLU HB2 . 50523 1 3 . 1 . 1 2 2 GLU HB3 H 1 2.227 0.00 . . . . . . . 2 GLU HB3 . 50523 1 4 . 1 . 1 2 2 GLU HG2 H 1 2.390 0.00 . . . . . . . 2 GLU HG . 50523 1 5 . 1 . 1 2 2 GLU HG3 H 1 2.390 0.00 . . . . . . . 2 GLU HG . 50523 1 6 . 1 . 1 2 2 GLU C C 13 176.274 0.00 . . . . . . . 2 GLU C . 50523 1 7 . 1 . 1 2 2 GLU CA C 13 55.989 0.04 . . . . . . . 2 GLU CA . 50523 1 8 . 1 . 1 2 2 GLU CB C 13 31.084 0.02 . . . . . . . 2 GLU CB . 50523 1 9 . 1 . 1 2 2 GLU CG C 13 36.276 0.04 . . . . . . . 2 GLU CG . 50523 1 10 . 1 . 1 3 3 GLU H H 1 8.736 0.01 . . . . . . . 3 GLU H . 50523 1 11 . 1 . 1 3 3 GLU HA H 1 4.952 0.01 . . . . . . . 3 GLU HA . 50523 1 12 . 1 . 1 3 3 GLU HB2 H 1 1.760 0.00 . . . . . . . 3 GLU HB2 . 50523 1 13 . 1 . 1 3 3 GLU HB3 H 1 2.050 0.00 . . . . . . . 3 GLU HB3 . 50523 1 14 . 1 . 1 3 3 GLU HG2 H 1 2.380 0.00 . . . . . . . 3 GLU HG2 . 50523 1 15 . 1 . 1 3 3 GLU HG3 H 1 2.562 0.00 . . . . . . . 3 GLU HG3 . 50523 1 16 . 1 . 1 3 3 GLU C C 13 176.112 0.01 . . . . . . . 3 GLU C . 50523 1 17 . 1 . 1 3 3 GLU CA C 13 54.193 0.02 . . . . . . . 3 GLU CA . 50523 1 18 . 1 . 1 3 3 GLU CB C 13 32.976 0.08 . . . . . . . 3 GLU CB . 50523 1 19 . 1 . 1 3 3 GLU CG C 13 35.784 0.00 . . . . . . . 3 GLU CG . 50523 1 20 . 1 . 1 3 3 GLU N N 15 123.353 0.04 . . . . . . . 3 GLU N . 50523 1 21 . 1 . 1 4 4 LYS H H 1 8.874 0.01 . . . . . . . 4 LYS H . 50523 1 22 . 1 . 1 4 4 LYS HA H 1 4.773 0.00 . . . . . . . 4 LYS HA . 50523 1 23 . 1 . 1 4 4 LYS HB2 H 1 1.755 0.00 . . . . . . . 4 LYS HB2 . 50523 1 24 . 1 . 1 4 4 LYS HB3 H 1 2.509 0.00 . . . . . . . 4 LYS HB3 . 50523 1 25 . 1 . 1 4 4 LYS HG2 H 1 1.650 0.00 . . . . . . . 4 LYS HG . 50523 1 26 . 1 . 1 4 4 LYS HG3 H 1 1.650 0.00 . . . . . . . 4 LYS HG . 50523 1 27 . 1 . 1 4 4 LYS HD2 H 1 1.681 0.00 . . . . . . . 4 LYS HD . 50523 1 28 . 1 . 1 4 4 LYS HD3 H 1 1.681 0.00 . . . . . . . 4 LYS HD . 50523 1 29 . 1 . 1 4 4 LYS HE2 H 1 3.082 0.00 . . . . . . . 4 LYS HE . 50523 1 30 . 1 . 1 4 4 LYS HE3 H 1 3.082 0.00 . . . . . . . 4 LYS HE . 50523 1 31 . 1 . 1 4 4 LYS C C 13 179.520 0.01 . . . . . . . 4 LYS C . 50523 1 32 . 1 . 1 4 4 LYS CA C 13 53.310 0.11 . . . . . . . 4 LYS CA . 50523 1 33 . 1 . 1 4 4 LYS CB C 13 32.538 0.12 . . . . . . . 4 LYS CB . 50523 1 34 . 1 . 1 4 4 LYS CG C 13 23.942 0.00 . . . . . . . 4 LYS CG . 50523 1 35 . 1 . 1 4 4 LYS CD C 13 27.991 0.11 . . . . . . . 4 LYS CD . 50523 1 36 . 1 . 1 4 4 LYS CE C 13 42.440 0.00 . . . . . . . 4 LYS CE . 50523 1 37 . 1 . 1 4 4 LYS N N 15 121.131 0.04 . . . . . . . 4 LYS N . 50523 1 38 . 1 . 1 5 5 VAL H H 1 9.973 0.00 . . . . . . . 5 VAL H . 50523 1 39 . 1 . 1 5 5 VAL HA H 1 3.259 0.00 . . . . . . . 5 VAL HA . 50523 1 40 . 1 . 1 5 5 VAL HB H 1 2.009 0.00 . . . . . . . 5 VAL HB . 50523 1 41 . 1 . 1 5 5 VAL HG11 H 1 0.917 0.00 . . . . . . . 5 VAL HG1 . 50523 1 42 . 1 . 1 5 5 VAL HG12 H 1 0.917 0.00 . . . . . . . 5 VAL HG1 . 50523 1 43 . 1 . 1 5 5 VAL HG13 H 1 0.917 0.00 . . . . . . . 5 VAL HG1 . 50523 1 44 . 1 . 1 5 5 VAL HG21 H 1 0.655 0.00 . . . . . . . 5 VAL HG2 . 50523 1 45 . 1 . 1 5 5 VAL HG22 H 1 0.655 0.00 . . . . . . . 5 VAL HG2 . 50523 1 46 . 1 . 1 5 5 VAL HG23 H 1 0.655 0.00 . . . . . . . 5 VAL HG2 . 50523 1 47 . 1 . 1 5 5 VAL C C 13 178.630 0.01 . . . . . . . 5 VAL C . 50523 1 48 . 1 . 1 5 5 VAL CA C 13 66.857 0.03 . . . . . . . 5 VAL CA . 50523 1 49 . 1 . 1 5 5 VAL CB C 13 31.029 0.07 . . . . . . . 5 VAL CB . 50523 1 50 . 1 . 1 5 5 VAL CG1 C 13 24.248 0.03 . . . . . . . 5 VAL CG1 . 50523 1 51 . 1 . 1 5 5 VAL CG2 C 13 22.950 0.00 . . . . . . . 5 VAL CG2 . 50523 1 52 . 1 . 1 5 5 VAL N N 15 123.769 0.03 . . . . . . . 5 VAL N . 50523 1 53 . 1 . 1 6 6 GLY H H 1 9.696 0.00 . . . . . . . 6 GLY H . 50523 1 54 . 1 . 1 6 6 GLY HA2 H 1 3.714 0.00 . . . . . . . 6 GLY HA . 50523 1 55 . 1 . 1 6 6 GLY HA3 H 1 3.714 0.00 . . . . . . . 6 GLY HA . 50523 1 56 . 1 . 1 6 6 GLY C C 13 175.270 0.00 . . . . . . . 6 GLY C . 50523 1 57 . 1 . 1 6 6 GLY CA C 13 46.294 0.04 . . . . . . . 6 GLY CA . 50523 1 58 . 1 . 1 6 6 GLY N N 15 103.291 0.06 . . . . . . . 6 GLY N . 50523 1 59 . 1 . 1 7 7 ASN H H 1 7.829 0.01 . . . . . . . 7 ASN H . 50523 1 60 . 1 . 1 7 7 ASN HA H 1 5.097 0.00 . . . . . . . 7 ASN HA . 50523 1 61 . 1 . 1 7 7 ASN HB2 H 1 2.913 0.01 . . . . . . . 7 ASN HB2 . 50523 1 62 . 1 . 1 7 7 ASN HB3 H 1 3.226 0.01 . . . . . . . 7 ASN HB3 . 50523 1 63 . 1 . 1 7 7 ASN C C 13 176.402 0.01 . . . . . . . 7 ASN C . 50523 1 64 . 1 . 1 7 7 ASN CA C 13 51.821 0.11 . . . . . . . 7 ASN CA . 50523 1 65 . 1 . 1 7 7 ASN CB C 13 39.450 0.03 . . . . . . . 7 ASN CB . 50523 1 66 . 1 . 1 7 7 ASN N N 15 116.447 0.04 . . . . . . . 7 ASN N . 50523 1 67 . 1 . 1 8 8 LEU H H 1 7.607 0.01 . . . . . . . 8 LEU H . 50523 1 68 . 1 . 1 8 8 LEU HA H 1 4.115 0.00 . . . . . . . 8 LEU HA . 50523 1 69 . 1 . 1 8 8 LEU HB2 H 1 1.922 0.00 . . . . . . . 8 LEU HB2 . 50523 1 70 . 1 . 1 8 8 LEU HB3 H 1 1.334 0.00 . . . . . . . 8 LEU HB3 . 50523 1 71 . 1 . 1 8 8 LEU HG H 1 2.320 0.00 . . . . . . . 8 LEU HG . 50523 1 72 . 1 . 1 8 8 LEU HD11 H 1 0.870 0.00 . . . . . . . 8 LEU HD1 . 50523 1 73 . 1 . 1 8 8 LEU HD12 H 1 0.870 0.00 . . . . . . . 8 LEU HD1 . 50523 1 74 . 1 . 1 8 8 LEU HD13 H 1 0.870 0.00 . . . . . . . 8 LEU HD1 . 50523 1 75 . 1 . 1 8 8 LEU HD21 H 1 0.779 0.00 . . . . . . . 8 LEU HD2 . 50523 1 76 . 1 . 1 8 8 LEU HD22 H 1 0.779 0.00 . . . . . . . 8 LEU HD2 . 50523 1 77 . 1 . 1 8 8 LEU HD23 H 1 0.779 0.00 . . . . . . . 8 LEU HD2 . 50523 1 78 . 1 . 1 8 8 LEU C C 13 175.736 0.01 . . . . . . . 8 LEU C . 50523 1 79 . 1 . 1 8 8 LEU CA C 13 56.185 0.02 . . . . . . . 8 LEU CA . 50523 1 80 . 1 . 1 8 8 LEU CB C 13 42.913 0.05 . . . . . . . 8 LEU CB . 50523 1 81 . 1 . 1 8 8 LEU CG C 13 26.222 0.16 . . . . . . . 8 LEU CG . 50523 1 82 . 1 . 1 8 8 LEU CD1 C 13 22.904 0.04 . . . . . . . 8 LEU CD1 . 50523 1 83 . 1 . 1 8 8 LEU CD2 C 13 19.095 0.00 . . . . . . . 8 LEU CD2 . 50523 1 84 . 1 . 1 8 8 LEU N N 15 119.667 0.04 . . . . . . . 8 LEU N . 50523 1 85 . 1 . 1 9 9 LYS H H 1 7.820 0.01 . . . . . . . 9 LYS H . 50523 1 86 . 1 . 1 9 9 LYS HA H 1 4.946 0.02 . . . . . . . 9 LYS HA . 50523 1 87 . 1 . 1 9 9 LYS HB2 H 1 1.743 0.02 . . . . . . . 9 LYS HB . 50523 1 88 . 1 . 1 9 9 LYS HB3 H 1 1.743 0.02 . . . . . . . 9 LYS HB . 50523 1 89 . 1 . 1 9 9 LYS HE2 H 1 3.051 0.00 . . . . . . . 9 LYS HE . 50523 1 90 . 1 . 1 9 9 LYS HE3 H 1 3.051 0.00 . . . . . . . 9 LYS HE . 50523 1 91 . 1 . 1 9 9 LYS C C 13 175.143 0.00 . . . . . . . 9 LYS C . 50523 1 92 . 1 . 1 9 9 LYS CA C 13 53.047 0.01 . . . . . . . 9 LYS CA . 50523 1 93 . 1 . 1 9 9 LYS CB C 13 33.682 0.07 . . . . . . . 9 LYS CB . 50523 1 94 . 1 . 1 9 9 LYS CE C 13 42.133 0.00 . . . . . . . 9 LYS CE . 50523 1 95 . 1 . 1 9 9 LYS N N 15 119.641 0.04 . . . . . . . 9 LYS N . 50523 1 96 . 1 . 1 10 10 PRO HA H 1 4.182 0.01 . . . . . . . 10 PRO HA . 50523 1 97 . 1 . 1 10 10 PRO HB2 H 1 2.063 0.00 . . . . . . . 10 PRO HB2 . 50523 1 98 . 1 . 1 10 10 PRO HB3 H 1 2.151 0.01 . . . . . . . 10 PRO HB3 . 50523 1 99 . 1 . 1 10 10 PRO HG2 H 1 1.968 0.02 . . . . . . . 10 PRO HG2 . 50523 1 100 . 1 . 1 10 10 PRO HG3 H 1 2.233 0.01 . . . . . . . 10 PRO HG3 . 50523 1 101 . 1 . 1 10 10 PRO HD2 H 1 3.799 0.01 . . . . . . . 10 PRO HD . 50523 1 102 . 1 . 1 10 10 PRO HD3 H 1 3.799 0.01 . . . . . . . 10 PRO HD . 50523 1 103 . 1 . 1 10 10 PRO C C 13 174.754 0.01 . . . . . . . 10 PRO C . 50523 1 104 . 1 . 1 10 10 PRO CA C 13 63.085 0.07 . . . . . . . 10 PRO CA . 50523 1 105 . 1 . 1 10 10 PRO CB C 13 32.532 0.02 . . . . . . . 10 PRO CB . 50523 1 106 . 1 . 1 10 10 PRO CG C 13 27.454 0.09 . . . . . . . 10 PRO CG . 50523 1 107 . 1 . 1 10 10 PRO CD C 13 50.452 0.18 . . . . . . . 10 PRO CD . 50523 1 108 . 1 . 1 11 11 ASN H H 1 7.222 0.02 . . . . . . . 11 ASN H . 50523 1 109 . 1 . 1 11 11 ASN HA H 1 4.643 0.01 . . . . . . . 11 ASN HA . 50523 1 110 . 1 . 1 11 11 ASN HB2 H 1 3.150 0.00 . . . . . . . 11 ASN HB2 . 50523 1 111 . 1 . 1 11 11 ASN HB3 H 1 3.047 0.00 . . . . . . . 11 ASN HB3 . 50523 1 112 . 1 . 1 11 11 ASN C C 13 175.277 0.01 . . . . . . . 11 ASN C . 50523 1 113 . 1 . 1 11 11 ASN CA C 13 54.337 0.06 . . . . . . . 11 ASN CA . 50523 1 114 . 1 . 1 11 11 ASN CB C 13 36.648 0.06 . . . . . . . 11 ASN CB . 50523 1 115 . 1 . 1 11 11 ASN N N 15 114.312 0.06 . . . . . . . 11 ASN N . 50523 1 116 . 1 . 1 12 12 MET H H 1 8.317 0.01 . . . . . . . 12 MET H . 50523 1 117 . 1 . 1 12 12 MET HA H 1 4.688 0.00 . . . . . . . 12 MET HA . 50523 1 118 . 1 . 1 12 12 MET HB2 H 1 2.180 0.01 . . . . . . . 12 MET HB . 50523 1 119 . 1 . 1 12 12 MET HB3 H 1 2.180 0.01 . . . . . . . 12 MET HB . 50523 1 120 . 1 . 1 12 12 MET HG2 H 1 2.439 0.00 . . . . . . . 12 MET HG . 50523 1 121 . 1 . 1 12 12 MET HG3 H 1 2.439 0.00 . . . . . . . 12 MET HG . 50523 1 122 . 1 . 1 12 12 MET C C 13 177.110 0.00 . . . . . . . 12 MET C . 50523 1 123 . 1 . 1 12 12 MET CA C 13 55.627 0.10 . . . . . . . 12 MET CA . 50523 1 124 . 1 . 1 12 12 MET CB C 13 34.339 0.04 . . . . . . . 12 MET CB . 50523 1 125 . 1 . 1 12 12 MET CG C 13 32.395 0.09 . . . . . . . 12 MET CG . 50523 1 126 . 1 . 1 12 12 MET N N 15 117.395 0.05 . . . . . . . 12 MET N . 50523 1 127 . 1 . 1 13 13 GLU H H 1 8.758 0.01 . . . . . . . 13 GLU H . 50523 1 128 . 1 . 1 13 13 GLU HA H 1 4.559 0.00 . . . . . . . 13 GLU HA . 50523 1 129 . 1 . 1 13 13 GLU HB2 H 1 2.157 0.01 . . . . . . . 13 GLU HB . 50523 1 130 . 1 . 1 13 13 GLU HB3 H 1 2.157 0.01 . . . . . . . 13 GLU HB . 50523 1 131 . 1 . 1 13 13 GLU HG2 H 1 2.387 0.00 . . . . . . . 13 GLU HG . 50523 1 132 . 1 . 1 13 13 GLU HG3 H 1 2.387 0.00 . . . . . . . 13 GLU HG . 50523 1 133 . 1 . 1 13 13 GLU C C 13 176.430 0.01 . . . . . . . 13 GLU C . 50523 1 134 . 1 . 1 13 13 GLU CA C 13 57.266 0.07 . . . . . . . 13 GLU CA . 50523 1 135 . 1 . 1 13 13 GLU CB C 13 30.980 0.22 . . . . . . . 13 GLU CB . 50523 1 136 . 1 . 1 13 13 GLU CG C 13 36.111 0.00 . . . . . . . 13 GLU CG . 50523 1 137 . 1 . 1 13 13 GLU N N 15 123.278 0.06 . . . . . . . 13 GLU N . 50523 1 138 . 1 . 1 14 14 SER H H 1 8.130 0.03 . . . . . . . 14 SER H . 50523 1 139 . 1 . 1 14 14 SER HA H 1 5.098 0.01 . . . . . . . 14 SER HA . 50523 1 140 . 1 . 1 14 14 SER HB2 H 1 4.007 0.00 . . . . . . . 14 SER HB2 . 50523 1 141 . 1 . 1 14 14 SER HB3 H 1 3.942 0.01 . . . . . . . 14 SER HB3 . 50523 1 142 . 1 . 1 14 14 SER C C 13 174.539 0.02 . . . . . . . 14 SER C . 50523 1 143 . 1 . 1 14 14 SER CA C 13 57.875 0.08 . . . . . . . 14 SER CA . 50523 1 144 . 1 . 1 14 14 SER CB C 13 63.592 0.14 . . . . . . . 14 SER CB . 50523 1 145 . 1 . 1 14 14 SER N N 15 112.264 0.12 . . . . . . . 14 SER N . 50523 1 146 . 1 . 1 15 15 VAL H H 1 9.190 0.01 . . . . . . . 15 VAL H . 50523 1 147 . 1 . 1 15 15 VAL HA H 1 4.594 0.01 . . . . . . . 15 VAL HA . 50523 1 148 . 1 . 1 15 15 VAL HB H 1 1.929 0.01 . . . . . . . 15 VAL HB . 50523 1 149 . 1 . 1 15 15 VAL HG11 H 1 0.996 0.01 . . . . . . . 15 VAL HG1 . 50523 1 150 . 1 . 1 15 15 VAL HG12 H 1 0.996 0.01 . . . . . . . 15 VAL HG1 . 50523 1 151 . 1 . 1 15 15 VAL HG13 H 1 0.996 0.01 . . . . . . . 15 VAL HG1 . 50523 1 152 . 1 . 1 15 15 VAL HG21 H 1 0.874 0.02 . . . . . . . 15 VAL HG2 . 50523 1 153 . 1 . 1 15 15 VAL HG22 H 1 0.874 0.02 . . . . . . . 15 VAL HG2 . 50523 1 154 . 1 . 1 15 15 VAL HG23 H 1 0.874 0.02 . . . . . . . 15 VAL HG2 . 50523 1 155 . 1 . 1 15 15 VAL C C 13 173.753 0.00 . . . . . . . 15 VAL C . 50523 1 156 . 1 . 1 15 15 VAL CA C 13 61.212 0.06 . . . . . . . 15 VAL CA . 50523 1 157 . 1 . 1 15 15 VAL CB C 13 34.519 0.05 . . . . . . . 15 VAL CB . 50523 1 158 . 1 . 1 15 15 VAL CG1 C 13 22.121 0.10 . . . . . . . 15 VAL CG1 . 50523 1 159 . 1 . 1 15 15 VAL CG2 C 13 21.199 0.12 . . . . . . . 15 VAL CG2 . 50523 1 160 . 1 . 1 15 15 VAL N N 15 125.204 0.09 . . . . . . . 15 VAL N . 50523 1 161 . 1 . 1 16 16 ASN H H 1 8.491 0.01 . . . . . . . 16 ASN H . 50523 1 162 . 1 . 1 16 16 ASN HA H 1 6.116 0.00 . . . . . . . 16 ASN HA . 50523 1 163 . 1 . 1 16 16 ASN HB2 H 1 3.065 0.01 . . . . . . . 16 ASN HB2 . 50523 1 164 . 1 . 1 16 16 ASN HB3 H 1 3.167 0.01 . . . . . . . 16 ASN HB3 . 50523 1 165 . 1 . 1 16 16 ASN C C 13 175.250 0.00 . . . . . . . 16 ASN C . 50523 1 166 . 1 . 1 16 16 ASN CA C 13 50.582 0.12 . . . . . . . 16 ASN CA . 50523 1 167 . 1 . 1 16 16 ASN CB C 13 39.705 0.07 . . . . . . . 16 ASN CB . 50523 1 168 . 1 . 1 16 16 ASN N N 15 125.787 0.07 . . . . . . . 16 ASN N . 50523 1 169 . 1 . 1 17 17 VAL H H 1 8.920 0.01 . . . . . . . 17 VAL H . 50523 1 170 . 1 . 1 17 17 VAL HA H 1 5.116 0.00 . . . . . . . 17 VAL HA . 50523 1 171 . 1 . 1 17 17 VAL HB H 1 2.284 0.01 . . . . . . . 17 VAL HB . 50523 1 172 . 1 . 1 17 17 VAL HG11 H 1 0.915 0.02 . . . . . . . 17 VAL HG1 . 50523 1 173 . 1 . 1 17 17 VAL HG12 H 1 0.915 0.02 . . . . . . . 17 VAL HG1 . 50523 1 174 . 1 . 1 17 17 VAL HG13 H 1 0.915 0.02 . . . . . . . 17 VAL HG1 . 50523 1 175 . 1 . 1 17 17 VAL HG21 H 1 0.770 0.01 . . . . . . . 17 VAL HG2 . 50523 1 176 . 1 . 1 17 17 VAL HG22 H 1 0.770 0.01 . . . . . . . 17 VAL HG2 . 50523 1 177 . 1 . 1 17 17 VAL HG23 H 1 0.770 0.01 . . . . . . . 17 VAL HG2 . 50523 1 178 . 1 . 1 17 17 VAL C C 13 175.115 0.01 . . . . . . . 17 VAL C . 50523 1 179 . 1 . 1 17 17 VAL CA C 13 59.318 0.08 . . . . . . . 17 VAL CA . 50523 1 180 . 1 . 1 17 17 VAL CB C 13 35.789 0.10 . . . . . . . 17 VAL CB . 50523 1 181 . 1 . 1 17 17 VAL CG1 C 13 21.319 0.10 . . . . . . . 17 VAL CG1 . 50523 1 182 . 1 . 1 17 17 VAL CG2 C 13 20.431 0.03 . . . . . . . 17 VAL CG2 . 50523 1 183 . 1 . 1 17 17 VAL N N 15 113.986 0.10 . . . . . . . 17 VAL N . 50523 1 184 . 1 . 1 18 18 THR H H 1 8.568 0.01 . . . . . . . 18 THR H . 50523 1 185 . 1 . 1 18 18 THR HA H 1 5.304 0.00 . . . . . . . 18 THR HA . 50523 1 186 . 1 . 1 18 18 THR HB H 1 4.199 0.00 . . . . . . . 18 THR HB . 50523 1 187 . 1 . 1 18 18 THR HG21 H 1 0.932 0.00 . . . . . . . 18 THR HG2 . 50523 1 188 . 1 . 1 18 18 THR HG22 H 1 0.932 0.00 . . . . . . . 18 THR HG2 . 50523 1 189 . 1 . 1 18 18 THR HG23 H 1 0.932 0.00 . . . . . . . 18 THR HG2 . 50523 1 190 . 1 . 1 18 18 THR C C 13 174.714 0.00 . . . . . . . 18 THR C . 50523 1 191 . 1 . 1 18 18 THR CA C 13 63.132 0.11 . . . . . . . 18 THR CA . 50523 1 192 . 1 . 1 18 18 THR CB C 13 69.618 0.07 . . . . . . . 18 THR CB . 50523 1 193 . 1 . 1 18 18 THR CG2 C 13 21.132 0.00 . . . . . . . 18 THR CG2 . 50523 1 194 . 1 . 1 18 18 THR N N 15 121.865 0.06 . . . . . . . 18 THR N . 50523 1 195 . 1 . 1 19 19 VAL H H 1 8.829 0.01 . . . . . . . 19 VAL H . 50523 1 196 . 1 . 1 19 19 VAL HA H 1 5.256 0.01 . . . . . . . 19 VAL HA . 50523 1 197 . 1 . 1 19 19 VAL HB H 1 2.269 0.00 . . . . . . . 19 VAL HB . 50523 1 198 . 1 . 1 19 19 VAL HG11 H 1 0.742 0.00 . . . . . . . 19 VAL HG1 . 50523 1 199 . 1 . 1 19 19 VAL HG12 H 1 0.742 0.00 . . . . . . . 19 VAL HG1 . 50523 1 200 . 1 . 1 19 19 VAL HG13 H 1 0.742 0.00 . . . . . . . 19 VAL HG1 . 50523 1 201 . 1 . 1 19 19 VAL HG21 H 1 0.634 0.00 . . . . . . . 19 VAL HG2 . 50523 1 202 . 1 . 1 19 19 VAL HG22 H 1 0.634 0.00 . . . . . . . 19 VAL HG2 . 50523 1 203 . 1 . 1 19 19 VAL HG23 H 1 0.634 0.00 . . . . . . . 19 VAL HG2 . 50523 1 204 . 1 . 1 19 19 VAL C C 13 173.715 0.01 . . . . . . . 19 VAL C . 50523 1 205 . 1 . 1 19 19 VAL CA C 13 58.222 0.04 . . . . . . . 19 VAL CA . 50523 1 206 . 1 . 1 19 19 VAL CB C 13 37.338 0.05 . . . . . . . 19 VAL CB . 50523 1 207 . 1 . 1 19 19 VAL CG1 C 13 23.430 0.01 . . . . . . . 19 VAL CG1 . 50523 1 208 . 1 . 1 19 19 VAL CG2 C 13 17.618 0.00 . . . . . . . 19 VAL CG2 . 50523 1 209 . 1 . 1 19 19 VAL N N 15 114.679 0.04 . . . . . . . 19 VAL N . 50523 1 210 . 1 . 1 20 20 ARG H H 1 9.503 0.01 . . . . . . . 20 ARG H . 50523 1 211 . 1 . 1 20 20 ARG HA H 1 5.245 0.02 . . . . . . . 20 ARG HA . 50523 1 212 . 1 . 1 20 20 ARG HB2 H 1 1.839 0.01 . . . . . . . 20 ARG HB2 . 50523 1 213 . 1 . 1 20 20 ARG HB3 H 1 2.231 0.00 . . . . . . . 20 ARG HB3 . 50523 1 214 . 1 . 1 20 20 ARG HG2 H 1 1.534 0.01 . . . . . . . 20 ARG HG . 50523 1 215 . 1 . 1 20 20 ARG HG3 H 1 1.534 0.01 . . . . . . . 20 ARG HG . 50523 1 216 . 1 . 1 20 20 ARG HD2 H 1 3.058 0.00 . . . . . . . 20 ARG HD . 50523 1 217 . 1 . 1 20 20 ARG HD3 H 1 3.058 0.00 . . . . . . . 20 ARG HD . 50523 1 218 . 1 . 1 20 20 ARG C C 13 177.014 0.01 . . . . . . . 20 ARG C . 50523 1 219 . 1 . 1 20 20 ARG CA C 13 53.327 0.10 . . . . . . . 20 ARG CA . 50523 1 220 . 1 . 1 20 20 ARG CB C 13 31.940 0.11 . . . . . . . 20 ARG CB . 50523 1 221 . 1 . 1 20 20 ARG CG C 13 26.804 0.13 . . . . . . . 20 ARG CG . 50523 1 222 . 1 . 1 20 20 ARG CD C 13 36.298 0.00 . . . . . . . 20 ARG CD . 50523 1 223 . 1 . 1 20 20 ARG N N 15 120.449 0.04 . . . . . . . 20 ARG N . 50523 1 224 . 1 . 1 21 21 VAL H H 1 9.201 0.00 . . . . . . . 21 VAL H . 50523 1 225 . 1 . 1 21 21 VAL HA H 1 4.161 0.01 . . . . . . . 21 VAL HA . 50523 1 226 . 1 . 1 21 21 VAL HB H 1 2.556 0.00 . . . . . . . 21 VAL HB . 50523 1 227 . 1 . 1 21 21 VAL HG11 H 1 0.946 0.01 . . . . . . . 21 VAL HG1 . 50523 1 228 . 1 . 1 21 21 VAL HG12 H 1 0.946 0.01 . . . . . . . 21 VAL HG1 . 50523 1 229 . 1 . 1 21 21 VAL HG13 H 1 0.946 0.01 . . . . . . . 21 VAL HG1 . 50523 1 230 . 1 . 1 21 21 VAL HG21 H 1 0.723 0.00 . . . . . . . 21 VAL HG2 . 50523 1 231 . 1 . 1 21 21 VAL HG22 H 1 0.723 0.00 . . . . . . . 21 VAL HG2 . 50523 1 232 . 1 . 1 21 21 VAL HG23 H 1 0.723 0.00 . . . . . . . 21 VAL HG2 . 50523 1 233 . 1 . 1 21 21 VAL C C 13 176.972 0.01 . . . . . . . 21 VAL C . 50523 1 234 . 1 . 1 21 21 VAL CA C 13 62.907 0.05 . . . . . . . 21 VAL CA . 50523 1 235 . 1 . 1 21 21 VAL CB C 13 31.019 0.04 . . . . . . . 21 VAL CB . 50523 1 236 . 1 . 1 21 21 VAL CG1 C 13 22.504 0.03 . . . . . . . 21 VAL CG1 . 50523 1 237 . 1 . 1 21 21 VAL CG2 C 13 21.673 0.09 . . . . . . . 21 VAL CG2 . 50523 1 238 . 1 . 1 21 21 VAL N N 15 126.755 0.05 . . . . . . . 21 VAL N . 50523 1 239 . 1 . 1 22 22 LEU H H 1 9.474 0.01 . . . . . . . 22 LEU H . 50523 1 240 . 1 . 1 22 22 LEU HA H 1 4.534 0.01 . . . . . . . 22 LEU HA . 50523 1 241 . 1 . 1 22 22 LEU HB2 H 1 1.660 0.01 . . . . . . . 22 LEU HB2 . 50523 1 242 . 1 . 1 22 22 LEU HB3 H 1 1.755 0.00 . . . . . . . 22 LEU HB3 . 50523 1 243 . 1 . 1 22 22 LEU HG H 1 1.780 0.00 . . . . . . . 22 LEU HG . 50523 1 244 . 1 . 1 22 22 LEU HD11 H 1 0.939 0.02 . . . . . . . 22 LEU HD1 . 50523 1 245 . 1 . 1 22 22 LEU HD12 H 1 0.939 0.02 . . . . . . . 22 LEU HD1 . 50523 1 246 . 1 . 1 22 22 LEU HD13 H 1 0.939 0.02 . . . . . . . 22 LEU HD1 . 50523 1 247 . 1 . 1 22 22 LEU HD21 H 1 0.932 0.01 . . . . . . . 22 LEU HD2 . 50523 1 248 . 1 . 1 22 22 LEU HD22 H 1 0.932 0.01 . . . . . . . 22 LEU HD2 . 50523 1 249 . 1 . 1 22 22 LEU HD23 H 1 0.932 0.01 . . . . . . . 22 LEU HD2 . 50523 1 250 . 1 . 1 22 22 LEU C C 13 177.305 0.01 . . . . . . . 22 LEU C . 50523 1 251 . 1 . 1 22 22 LEU CA C 13 57.072 0.09 . . . . . . . 22 LEU CA . 50523 1 252 . 1 . 1 22 22 LEU CB C 13 41.834 0.01 . . . . . . . 22 LEU CB . 50523 1 253 . 1 . 1 22 22 LEU CG C 13 27.777 0.03 . . . . . . . 22 LEU CG . 50523 1 254 . 1 . 1 22 22 LEU CD1 C 13 25.290 0.08 . . . . . . . 22 LEU CD1 . 50523 1 255 . 1 . 1 22 22 LEU CD2 C 13 23.671 0.22 . . . . . . . 22 LEU CD2 . 50523 1 256 . 1 . 1 22 22 LEU N N 15 132.370 0.07 . . . . . . . 22 LEU N . 50523 1 257 . 1 . 1 23 23 GLU H H 1 7.766 0.01 . . . . . . . 23 GLU H . 50523 1 258 . 1 . 1 23 23 GLU HA H 1 4.642 0.00 . . . . . . . 23 GLU HA . 50523 1 259 . 1 . 1 23 23 GLU HB2 H 1 2.040 0.00 . . . . . . . 23 GLU HB . 50523 1 260 . 1 . 1 23 23 GLU HB3 H 1 2.040 0.00 . . . . . . . 23 GLU HB . 50523 1 261 . 1 . 1 23 23 GLU HG2 H 1 2.268 0.00 . . . . . . . 23 GLU HG . 50523 1 262 . 1 . 1 23 23 GLU HG3 H 1 2.268 0.00 . . . . . . . 23 GLU HG . 50523 1 263 . 1 . 1 23 23 GLU C C 13 174.792 0.01 . . . . . . . 23 GLU C . 50523 1 264 . 1 . 1 23 23 GLU CA C 13 55.514 0.05 . . . . . . . 23 GLU CA . 50523 1 265 . 1 . 1 23 23 GLU CB C 13 33.548 0.18 . . . . . . . 23 GLU CB . 50523 1 266 . 1 . 1 23 23 GLU CG C 13 36.053 0.00 . . . . . . . 23 GLU CG . 50523 1 267 . 1 . 1 23 23 GLU N N 15 116.179 0.05 . . . . . . . 23 GLU N . 50523 1 268 . 1 . 1 24 24 ALA H H 1 9.304 0.00 . . . . . . . 24 ALA H . 50523 1 269 . 1 . 1 24 24 ALA HA H 1 5.037 0.00 . . . . . . . 24 ALA HA . 50523 1 270 . 1 . 1 24 24 ALA HB1 H 1 1.384 0.00 . . . . . . . 24 ALA HB . 50523 1 271 . 1 . 1 24 24 ALA HB2 H 1 1.384 0.00 . . . . . . . 24 ALA HB . 50523 1 272 . 1 . 1 24 24 ALA HB3 H 1 1.384 0.00 . . . . . . . 24 ALA HB . 50523 1 273 . 1 . 1 24 24 ALA C C 13 176.348 0.01 . . . . . . . 24 ALA C . 50523 1 274 . 1 . 1 24 24 ALA CA C 13 52.136 0.11 . . . . . . . 24 ALA CA . 50523 1 275 . 1 . 1 24 24 ALA CB C 13 21.520 0.03 . . . . . . . 24 ALA CB . 50523 1 276 . 1 . 1 24 24 ALA N N 15 126.498 0.07 . . . . . . . 24 ALA N . 50523 1 277 . 1 . 1 25 25 SER H H 1 8.649 0.01 . . . . . . . 25 SER H . 50523 1 278 . 1 . 1 25 25 SER HA H 1 4.933 0.00 . . . . . . . 25 SER HA . 50523 1 279 . 1 . 1 25 25 SER HB2 H 1 4.382 0.00 . . . . . . . 25 SER HB2 . 50523 1 280 . 1 . 1 25 25 SER HB3 H 1 4.099 0.00 . . . . . . . 25 SER HB3 . 50523 1 281 . 1 . 1 25 25 SER C C 13 175.409 0.00 . . . . . . . 25 SER C . 50523 1 282 . 1 . 1 25 25 SER CA C 13 57.489 0.22 . . . . . . . 25 SER CA . 50523 1 283 . 1 . 1 25 25 SER CB C 13 65.942 0.06 . . . . . . . 25 SER CB . 50523 1 284 . 1 . 1 25 25 SER N N 15 118.443 0.08 . . . . . . . 25 SER N . 50523 1 285 . 1 . 1 26 26 GLU H H 1 8.849 0.00 . . . . . . . 26 GLU H . 50523 1 286 . 1 . 1 26 26 GLU HA H 1 4.508 0.00 . . . . . . . 26 GLU HA . 50523 1 287 . 1 . 1 26 26 GLU HB2 H 1 2.178 0.00 . . . . . . . 26 GLU HB2 . 50523 1 288 . 1 . 1 26 26 GLU HB3 H 1 2.314 0.00 . . . . . . . 26 GLU HB3 . 50523 1 289 . 1 . 1 26 26 GLU HG2 H 1 2.535 0.00 . . . . . . . 26 GLU HG . 50523 1 290 . 1 . 1 26 26 GLU HG3 H 1 2.535 0.00 . . . . . . . 26 GLU HG . 50523 1 291 . 1 . 1 26 26 GLU C C 13 177.475 0.01 . . . . . . . 26 GLU C . 50523 1 292 . 1 . 1 26 26 GLU CA C 13 56.272 0.16 . . . . . . . 26 GLU CA . 50523 1 293 . 1 . 1 26 26 GLU CB C 13 30.578 0.09 . . . . . . . 26 GLU CB . 50523 1 294 . 1 . 1 26 26 GLU CG C 13 36.128 0.02 . . . . . . . 26 GLU CG . 50523 1 295 . 1 . 1 26 26 GLU N N 15 120.306 0.04 . . . . . . . 26 GLU N . 50523 1 296 . 1 . 1 27 27 ALA H H 1 8.821 0.00 . . . . . . . 27 ALA H . 50523 1 297 . 1 . 1 27 27 ALA HA H 1 4.707 0.01 . . . . . . . 27 ALA HA . 50523 1 298 . 1 . 1 27 27 ALA HB1 H 1 1.266 0.00 . . . . . . . 27 ALA HB . 50523 1 299 . 1 . 1 27 27 ALA HB2 H 1 1.266 0.00 . . . . . . . 27 ALA HB . 50523 1 300 . 1 . 1 27 27 ALA HB3 H 1 1.266 0.00 . . . . . . . 27 ALA HB . 50523 1 301 . 1 . 1 27 27 ALA C C 13 177.630 0.02 . . . . . . . 27 ALA C . 50523 1 302 . 1 . 1 27 27 ALA CA C 13 51.995 0.09 . . . . . . . 27 ALA CA . 50523 1 303 . 1 . 1 27 27 ALA CB C 13 19.178 0.05 . . . . . . . 27 ALA CB . 50523 1 304 . 1 . 1 27 27 ALA N N 15 124.110 0.06 . . . . . . . 27 ALA N . 50523 1 305 . 1 . 1 28 28 ARG H H 1 9.441 0.02 . . . . . . . 28 ARG H . 50523 1 306 . 1 . 1 28 28 ARG HA H 1 4.842 0.00 . . . . . . . 28 ARG HA . 50523 1 307 . 1 . 1 28 28 ARG HB2 H 1 1.871 0.00 . . . . . . . 28 ARG HB2 . 50523 1 308 . 1 . 1 28 28 ARG HB3 H 1 1.930 0.00 . . . . . . . 28 ARG HB3 . 50523 1 309 . 1 . 1 28 28 ARG HG2 H 1 1.699 0.00 . . . . . . . 28 ARG HG . 50523 1 310 . 1 . 1 28 28 ARG HG3 H 1 1.699 0.00 . . . . . . . 28 ARG HG . 50523 1 311 . 1 . 1 28 28 ARG HD2 H 1 3.242 0.00 . . . . . . . 28 ARG HD . 50523 1 312 . 1 . 1 28 28 ARG HD3 H 1 3.242 0.00 . . . . . . . 28 ARG HD . 50523 1 313 . 1 . 1 28 28 ARG C C 13 174.427 0.01 . . . . . . . 28 ARG C . 50523 1 314 . 1 . 1 28 28 ARG CA C 13 54.282 0.03 . . . . . . . 28 ARG CA . 50523 1 315 . 1 . 1 28 28 ARG CB C 13 33.079 0.07 . . . . . . . 28 ARG CB . 50523 1 316 . 1 . 1 28 28 ARG CG C 13 26.146 0.03 . . . . . . . 28 ARG CG . 50523 1 317 . 1 . 1 28 28 ARG CD C 13 43.584 0.05 . . . . . . . 28 ARG CD . 50523 1 318 . 1 . 1 28 28 ARG N N 15 119.604 0.04 . . . . . . . 28 ARG N . 50523 1 319 . 1 . 1 29 29 GLN H H 1 8.404 0.00 . . . . . . . 29 GLN H . 50523 1 320 . 1 . 1 29 29 GLN HA H 1 5.367 0.00 . . . . . . . 29 GLN HA . 50523 1 321 . 1 . 1 29 29 GLN HB2 H 1 1.938 0.00 . . . . . . . 29 GLN HB2 . 50523 1 322 . 1 . 1 29 29 GLN HB3 H 1 2.103 0.00 . . . . . . . 29 GLN HB3 . 50523 1 323 . 1 . 1 29 29 GLN HG2 H 1 2.370 0.00 . . . . . . . 29 GLN HG2 . 50523 1 324 . 1 . 1 29 29 GLN HG3 H 1 2.451 0.00 . . . . . . . 29 GLN HG3 . 50523 1 325 . 1 . 1 29 29 GLN C C 13 177.153 0.00 . . . . . . . 29 GLN C . 50523 1 326 . 1 . 1 29 29 GLN CA C 13 54.997 0.05 . . . . . . . 29 GLN CA . 50523 1 327 . 1 . 1 29 29 GLN CB C 13 30.642 0.04 . . . . . . . 29 GLN CB . 50523 1 328 . 1 . 1 29 29 GLN CG C 13 34.811 0.00 . . . . . . . 29 GLN CG . 50523 1 329 . 1 . 1 29 29 GLN N N 15 118.490 0.04 . . . . . . . 29 GLN N . 50523 1 330 . 1 . 1 30 30 ILE H H 1 9.308 0.01 . . . . . . . 30 ILE H . 50523 1 331 . 1 . 1 30 30 ILE HA H 1 4.801 0.01 . . . . . . . 30 ILE HA . 50523 1 332 . 1 . 1 30 30 ILE HB H 1 1.921 0.01 . . . . . . . 30 ILE HB . 50523 1 333 . 1 . 1 30 30 ILE HG12 H 1 0.946 0.00 . . . . . . . 30 ILE HG12 . 50523 1 334 . 1 . 1 30 30 ILE HG13 H 1 1.451 0.24 . . . . . . . 30 ILE HG13 . 50523 1 335 . 1 . 1 30 30 ILE HG21 H 1 1.027 0.02 . . . . . . . 30 ILE HG2 . 50523 1 336 . 1 . 1 30 30 ILE HG22 H 1 1.027 0.02 . . . . . . . 30 ILE HG2 . 50523 1 337 . 1 . 1 30 30 ILE HG23 H 1 1.027 0.02 . . . . . . . 30 ILE HG2 . 50523 1 338 . 1 . 1 30 30 ILE HD11 H 1 0.878 0.16 . . . . . . . 30 ILE HD1 . 50523 1 339 . 1 . 1 30 30 ILE HD12 H 1 0.878 0.16 . . . . . . . 30 ILE HD1 . 50523 1 340 . 1 . 1 30 30 ILE HD13 H 1 0.878 0.16 . . . . . . . 30 ILE HD1 . 50523 1 341 . 1 . 1 30 30 ILE C C 13 174.926 0.00 . . . . . . . 30 ILE C . 50523 1 342 . 1 . 1 30 30 ILE CA C 13 59.309 0.13 . . . . . . . 30 ILE CA . 50523 1 343 . 1 . 1 30 30 ILE CB C 13 41.877 0.08 . . . . . . . 30 ILE CB . 50523 1 344 . 1 . 1 30 30 ILE CG1 C 13 26.202 0.05 . . . . . . . 30 ILE CG1 . 50523 1 345 . 1 . 1 30 30 ILE CG2 C 13 17.492 0.01 . . . . . . . 30 ILE CG2 . 50523 1 346 . 1 . 1 30 30 ILE CD1 C 13 13.937 0.03 . . . . . . . 30 ILE CD1 . 50523 1 347 . 1 . 1 30 30 ILE N N 15 119.513 0.06 . . . . . . . 30 ILE N . 50523 1 348 . 1 . 1 31 31 GLN H H 1 8.652 0.01 . . . . . . . 31 GLN H . 50523 1 349 . 1 . 1 31 31 GLN HA H 1 4.588 0.01 . . . . . . . 31 GLN HA . 50523 1 350 . 1 . 1 31 31 GLN HB2 H 1 2.078 0.01 . . . . . . . 31 GLN HB2 . 50523 1 351 . 1 . 1 31 31 GLN HB3 H 1 2.224 0.01 . . . . . . . 31 GLN HB3 . 50523 1 352 . 1 . 1 31 31 GLN HG2 H 1 2.493 0.01 . . . . . . . 31 GLN HG . 50523 1 353 . 1 . 1 31 31 GLN HG3 H 1 2.493 0.01 . . . . . . . 31 GLN HG . 50523 1 354 . 1 . 1 31 31 GLN C C 13 176.558 0.04 . . . . . . . 31 GLN C . 50523 1 355 . 1 . 1 31 31 GLN CA C 13 55.735 0.04 . . . . . . . 31 GLN CA . 50523 1 356 . 1 . 1 31 31 GLN CB C 13 29.209 0.14 . . . . . . . 31 GLN CB . 50523 1 357 . 1 . 1 31 31 GLN CG C 13 33.615 0.07 . . . . . . . 31 GLN CG . 50523 1 358 . 1 . 1 31 31 GLN N N 15 122.838 0.15 . . . . . . . 31 GLN N . 50523 1 359 . 1 . 1 32 32 THR H H 1 7.962 0.03 . . . . . . . 32 THR H . 50523 1 360 . 1 . 1 32 32 THR HA H 1 5.133 0.02 . . . . . . . 32 THR HA . 50523 1 361 . 1 . 1 32 32 THR HB H 1 4.765 0.00 . . . . . . . 32 THR HB . 50523 1 362 . 1 . 1 32 32 THR HG21 H 1 1.467 0.00 . . . . . . . 32 THR HG2 . 50523 1 363 . 1 . 1 32 32 THR HG22 H 1 1.467 0.00 . . . . . . . 32 THR HG2 . 50523 1 364 . 1 . 1 32 32 THR HG23 H 1 1.467 0.00 . . . . . . . 32 THR HG2 . 50523 1 365 . 1 . 1 32 32 THR C C 13 176.900 0.02 . . . . . . . 32 THR C . 50523 1 366 . 1 . 1 32 32 THR CA C 13 59.928 0.37 . . . . . . . 32 THR CA . 50523 1 367 . 1 . 1 32 32 THR CB C 13 72.801 0.09 . . . . . . . 32 THR CB . 50523 1 368 . 1 . 1 32 32 THR CG2 C 13 36.170 0.00 . . . . . . . 32 THR CG2 . 50523 1 369 . 1 . 1 32 32 THR N N 15 116.071 0.10 . . . . . . . 32 THR N . 50523 1 370 . 1 . 1 33 33 LYS H H 1 8.870 0.00 . . . . . . . 33 LYS H . 50523 1 371 . 1 . 1 33 33 LYS HA H 1 4.336 0.00 . . . . . . . 33 LYS HA . 50523 1 372 . 1 . 1 33 33 LYS HB2 H 1 2.019 0.01 . . . . . . . 33 LYS HB . 50523 1 373 . 1 . 1 33 33 LYS HB3 H 1 2.019 0.01 . . . . . . . 33 LYS HB . 50523 1 374 . 1 . 1 33 33 LYS HG2 H 1 1.637 0.00 . . . . . . . 33 LYS HG . 50523 1 375 . 1 . 1 33 33 LYS HG3 H 1 1.637 0.00 . . . . . . . 33 LYS HG . 50523 1 376 . 1 . 1 33 33 LYS HD2 H 1 1.865 0.00 . . . . . . . 33 LYS HD . 50523 1 377 . 1 . 1 33 33 LYS HD3 H 1 1.865 0.00 . . . . . . . 33 LYS HD . 50523 1 378 . 1 . 1 33 33 LYS HE2 H 1 3.168 0.00 . . . . . . . 33 LYS HE . 50523 1 379 . 1 . 1 33 33 LYS HE3 H 1 3.168 0.00 . . . . . . . 33 LYS HE . 50523 1 380 . 1 . 1 33 33 LYS C C 13 177.464 0.00 . . . . . . . 33 LYS C . 50523 1 381 . 1 . 1 33 33 LYS CA C 13 58.608 0.07 . . . . . . . 33 LYS CA . 50523 1 382 . 1 . 1 33 33 LYS CB C 13 32.064 0.11 . . . . . . . 33 LYS CB . 50523 1 383 . 1 . 1 33 33 LYS CG C 13 24.611 0.03 . . . . . . . 33 LYS CG . 50523 1 384 . 1 . 1 33 33 LYS CD C 13 29.001 0.07 . . . . . . . 33 LYS CD . 50523 1 385 . 1 . 1 33 33 LYS CE C 13 42.210 0.01 . . . . . . . 33 LYS CE . 50523 1 386 . 1 . 1 33 33 LYS N N 15 118.707 0.23 . . . . . . . 33 LYS N . 50523 1 387 . 1 . 1 34 34 ASN H H 1 8.147 0.01 . . . . . . . 34 ASN H . 50523 1 388 . 1 . 1 34 34 ASN HA H 1 5.117 0.00 . . . . . . . 34 ASN HA . 50523 1 389 . 1 . 1 34 34 ASN HB2 H 1 2.571 0.00 . . . . . . . 34 ASN HB2 . 50523 1 390 . 1 . 1 34 34 ASN HB3 H 1 3.124 0.00 . . . . . . . 34 ASN HB3 . 50523 1 391 . 1 . 1 34 34 ASN C C 13 175.069 0.00 . . . . . . . 34 ASN C . 50523 1 392 . 1 . 1 34 34 ASN CA C 13 52.451 0.10 . . . . . . . 34 ASN CA . 50523 1 393 . 1 . 1 34 34 ASN CB C 13 39.650 0.05 . . . . . . . 34 ASN CB . 50523 1 394 . 1 . 1 34 34 ASN N N 15 115.040 0.09 . . . . . . . 34 ASN N . 50523 1 395 . 1 . 1 35 35 GLY H H 1 7.634 0.01 . . . . . . . 35 GLY H . 50523 1 396 . 1 . 1 35 35 GLY HA2 H 1 4.083 0.00 . . . . . . . 35 GLY HA2 . 50523 1 397 . 1 . 1 35 35 GLY HA3 H 1 4.738 0.01 . . . . . . . 35 GLY HA3 . 50523 1 398 . 1 . 1 35 35 GLY C C 13 175.214 0.01 . . . . . . . 35 GLY C . 50523 1 399 . 1 . 1 35 35 GLY CA C 13 44.089 0.14 . . . . . . . 35 GLY CA . 50523 1 400 . 1 . 1 35 35 GLY N N 15 107.910 0.07 . . . . . . . 35 GLY N . 50523 1 401 . 1 . 1 36 36 VAL H H 1 8.693 0.00 . . . . . . . 36 VAL H . 50523 1 402 . 1 . 1 36 36 VAL HA H 1 4.869 0.01 . . . . . . . 36 VAL HA . 50523 1 403 . 1 . 1 36 36 VAL HB H 1 2.133 0.01 . . . . . . . 36 VAL HB . 50523 1 404 . 1 . 1 36 36 VAL HG11 H 1 1.141 0.00 . . . . . . . 36 VAL HG1 . 50523 1 405 . 1 . 1 36 36 VAL HG12 H 1 1.141 0.00 . . . . . . . 36 VAL HG1 . 50523 1 406 . 1 . 1 36 36 VAL HG13 H 1 1.141 0.00 . . . . . . . 36 VAL HG1 . 50523 1 407 . 1 . 1 36 36 VAL HG21 H 1 1.058 0.00 . . . . . . . 36 VAL HG2 . 50523 1 408 . 1 . 1 36 36 VAL HG22 H 1 1.058 0.00 . . . . . . . 36 VAL HG2 . 50523 1 409 . 1 . 1 36 36 VAL HG23 H 1 1.058 0.00 . . . . . . . 36 VAL HG2 . 50523 1 410 . 1 . 1 36 36 VAL C C 13 177.577 0.01 . . . . . . . 36 VAL C . 50523 1 411 . 1 . 1 36 36 VAL CA C 13 62.679 0.07 . . . . . . . 36 VAL CA . 50523 1 412 . 1 . 1 36 36 VAL CB C 13 32.364 0.12 . . . . . . . 36 VAL CB . 50523 1 413 . 1 . 1 36 36 VAL CG1 C 13 21.206 0.03 . . . . . . . 36 VAL CG# . 50523 1 414 . 1 . 1 36 36 VAL CG2 C 13 21.206 0.03 . . . . . . . 36 VAL CG# . 50523 1 415 . 1 . 1 36 36 VAL N N 15 122.347 0.13 . . . . . . . 36 VAL N . 50523 1 416 . 1 . 1 37 37 ARG H H 1 9.191 0.00 . . . . . . . 37 ARG H . 50523 1 417 . 1 . 1 37 37 ARG HA H 1 5.143 0.01 . . . . . . . 37 ARG HA . 50523 1 418 . 1 . 1 37 37 ARG HB2 H 1 1.931 0.01 . . . . . . . 37 ARG HB2 . 50523 1 419 . 1 . 1 37 37 ARG HB3 H 1 2.311 0.01 . . . . . . . 37 ARG HB3 . 50523 1 420 . 1 . 1 37 37 ARG HG2 H 1 2.107 0.00 . . . . . . . 37 ARG HG2 . 50523 1 421 . 1 . 1 37 37 ARG HG3 H 1 2.159 0.00 . . . . . . . 37 ARG HG3 . 50523 1 422 . 1 . 1 37 37 ARG HD2 H 1 3.458 0.00 . . . . . . . 37 ARG HD2 . 50523 1 423 . 1 . 1 37 37 ARG HD3 H 1 3.616 0.01 . . . . . . . 37 ARG HD3 . 50523 1 424 . 1 . 1 37 37 ARG C C 13 175.453 0.01 . . . . . . . 37 ARG C . 50523 1 425 . 1 . 1 37 37 ARG CA C 13 53.608 0.05 . . . . . . . 37 ARG CA . 50523 1 426 . 1 . 1 37 37 ARG CB C 13 34.026 0.06 . . . . . . . 37 ARG CB . 50523 1 427 . 1 . 1 37 37 ARG CG C 13 27.299 0.03 . . . . . . . 37 ARG CG . 50523 1 428 . 1 . 1 37 37 ARG CD C 13 43.306 0.03 . . . . . . . 37 ARG CD . 50523 1 429 . 1 . 1 37 37 ARG N N 15 126.401 0.05 . . . . . . . 37 ARG N . 50523 1 430 . 1 . 1 38 38 THR H H 1 8.828 0.03 . . . . . . . 38 THR H . 50523 1 431 . 1 . 1 38 38 THR HA H 1 5.218 0.00 . . . . . . . 38 THR HA . 50523 1 432 . 1 . 1 38 38 THR HB H 1 4.073 0.00 . . . . . . . 38 THR HB . 50523 1 433 . 1 . 1 38 38 THR HG21 H 1 1.253 0.00 . . . . . . . 38 THR HG2 . 50523 1 434 . 1 . 1 38 38 THR HG22 H 1 1.253 0.00 . . . . . . . 38 THR HG2 . 50523 1 435 . 1 . 1 38 38 THR HG23 H 1 1.253 0.00 . . . . . . . 38 THR HG2 . 50523 1 436 . 1 . 1 38 38 THR C C 13 174.153 0.01 . . . . . . . 38 THR C . 50523 1 437 . 1 . 1 38 38 THR CA C 13 62.289 0.10 . . . . . . . 38 THR CA . 50523 1 438 . 1 . 1 38 38 THR CB C 13 70.000 0.03 . . . . . . . 38 THR CB . 50523 1 439 . 1 . 1 38 38 THR CG2 C 13 22.257 0.01 . . . . . . . 38 THR CG2 . 50523 1 440 . 1 . 1 38 38 THR N N 15 118.843 0.27 . . . . . . . 38 THR N . 50523 1 441 . 1 . 1 39 39 ILE H H 1 8.990 0.01 . . . . . . . 39 ILE H . 50523 1 442 . 1 . 1 39 39 ILE HA H 1 5.565 0.00 . . . . . . . 39 ILE HA . 50523 1 443 . 1 . 1 39 39 ILE HB H 1 1.385 0.00 . . . . . . . 39 ILE HB . 50523 1 444 . 1 . 1 39 39 ILE HG12 H 1 0.650 0.00 . . . . . . . 39 ILE HG12 . 50523 1 445 . 1 . 1 39 39 ILE HG13 H 1 0.960 0.01 . . . . . . . 39 ILE HG13 . 50523 1 446 . 1 . 1 39 39 ILE HG21 H 1 0.259 0.00 . . . . . . . 39 ILE HG2 . 50523 1 447 . 1 . 1 39 39 ILE HG22 H 1 0.259 0.00 . . . . . . . 39 ILE HG2 . 50523 1 448 . 1 . 1 39 39 ILE HG23 H 1 0.259 0.00 . . . . . . . 39 ILE HG2 . 50523 1 449 . 1 . 1 39 39 ILE HD11 H 1 0.381 0.00 . . . . . . . 39 ILE HD1 . 50523 1 450 . 1 . 1 39 39 ILE HD12 H 1 0.381 0.00 . . . . . . . 39 ILE HD1 . 50523 1 451 . 1 . 1 39 39 ILE HD13 H 1 0.381 0.00 . . . . . . . 39 ILE HD1 . 50523 1 452 . 1 . 1 39 39 ILE C C 13 176.446 0.00 . . . . . . . 39 ILE C . 50523 1 453 . 1 . 1 39 39 ILE CA C 13 58.829 0.08 . . . . . . . 39 ILE CA . 50523 1 454 . 1 . 1 39 39 ILE CB C 13 43.527 0.04 . . . . . . . 39 ILE CB . 50523 1 455 . 1 . 1 39 39 ILE CG1 C 13 26.172 0.02 . . . . . . . 39 ILE CG1 . 50523 1 456 . 1 . 1 39 39 ILE CG2 C 13 18.077 0.07 . . . . . . . 39 ILE CG2 . 50523 1 457 . 1 . 1 39 39 ILE CD1 C 13 13.976 0.04 . . . . . . . 39 ILE CD1 . 50523 1 458 . 1 . 1 39 39 ILE N N 15 120.602 0.10 . . . . . . . 39 ILE N . 50523 1 459 . 1 . 1 40 40 SER H H 1 8.913 0.02 . . . . . . . 40 SER H . 50523 1 460 . 1 . 1 40 40 SER HA H 1 4.676 0.01 . . . . . . . 40 SER HA . 50523 1 461 . 1 . 1 40 40 SER HB2 H 1 3.493 0.00 . . . . . . . 40 SER HB2 . 50523 1 462 . 1 . 1 40 40 SER HB3 H 1 4.234 0.01 . . . . . . . 40 SER HB3 . 50523 1 463 . 1 . 1 40 40 SER C C 13 172.171 0.01 . . . . . . . 40 SER C . 50523 1 464 . 1 . 1 40 40 SER CA C 13 58.893 0.06 . . . . . . . 40 SER CA . 50523 1 465 . 1 . 1 40 40 SER CB C 13 65.782 0.10 . . . . . . . 40 SER CB . 50523 1 466 . 1 . 1 40 40 SER N N 15 115.341 0.06 . . . . . . . 40 SER N . 50523 1 467 . 1 . 1 41 41 GLU H H 1 8.232 0.01 . . . . . . . 41 GLU H . 50523 1 468 . 1 . 1 41 41 GLU HA H 1 5.550 0.00 . . . . . . . 41 GLU HA . 50523 1 469 . 1 . 1 41 41 GLU HB2 H 1 1.912 0.00 . . . . . . . 41 GLU HB2 . 50523 1 470 . 1 . 1 41 41 GLU HB3 H 1 2.016 0.00 . . . . . . . 41 GLU HB3 . 50523 1 471 . 1 . 1 41 41 GLU HG2 H 1 2.152 0.00 . . . . . . . 41 GLU HG2 . 50523 1 472 . 1 . 1 41 41 GLU HG3 H 1 2.082 0.00 . . . . . . . 41 GLU HG3 . 50523 1 473 . 1 . 1 41 41 GLU C C 13 176.631 0.00 . . . . . . . 41 GLU C . 50523 1 474 . 1 . 1 41 41 GLU CA C 13 54.706 0.05 . . . . . . . 41 GLU CA . 50523 1 475 . 1 . 1 41 41 GLU CB C 13 34.144 0.06 . . . . . . . 41 GLU CB . 50523 1 476 . 1 . 1 41 41 GLU CG C 13 37.036 0.04 . . . . . . . 41 GLU CG . 50523 1 477 . 1 . 1 41 41 GLU N N 15 117.590 0.06 . . . . . . . 41 GLU N . 50523 1 478 . 1 . 1 42 42 ALA H H 1 9.516 0.02 . . . . . . . 42 ALA H . 50523 1 479 . 1 . 1 42 42 ALA HA H 1 5.252 0.00 . . . . . . . 42 ALA HA . 50523 1 480 . 1 . 1 42 42 ALA HB1 H 1 1.458 0.00 . . . . . . . 42 ALA HB . 50523 1 481 . 1 . 1 42 42 ALA HB2 H 1 1.458 0.00 . . . . . . . 42 ALA HB . 50523 1 482 . 1 . 1 42 42 ALA HB3 H 1 1.458 0.00 . . . . . . . 42 ALA HB . 50523 1 483 . 1 . 1 42 42 ALA C C 13 176.213 0.01 . . . . . . . 42 ALA C . 50523 1 484 . 1 . 1 42 42 ALA CA C 13 50.838 0.14 . . . . . . . 42 ALA CA . 50523 1 485 . 1 . 1 42 42 ALA CB C 13 23.124 0.05 . . . . . . . 42 ALA CB . 50523 1 486 . 1 . 1 42 42 ALA N N 15 126.291 0.07 . . . . . . . 42 ALA N . 50523 1 487 . 1 . 1 43 43 ILE H H 1 8.727 0.00 . . . . . . . 43 ILE H . 50523 1 488 . 1 . 1 43 43 ILE HA H 1 4.942 0.00 . . . . . . . 43 ILE HA . 50523 1 489 . 1 . 1 43 43 ILE HB H 1 1.902 0.00 . . . . . . . 43 ILE HB . 50523 1 490 . 1 . 1 43 43 ILE HG12 H 1 1.325 0.01 . . . . . . . 43 ILE HG12 . 50523 1 491 . 1 . 1 43 43 ILE HG13 H 1 1.625 0.01 . . . . . . . 43 ILE HG13 . 50523 1 492 . 1 . 1 43 43 ILE HG21 H 1 0.985 0.00 . . . . . . . 43 ILE HG2 . 50523 1 493 . 1 . 1 43 43 ILE HG22 H 1 0.985 0.00 . . . . . . . 43 ILE HG2 . 50523 1 494 . 1 . 1 43 43 ILE HG23 H 1 0.985 0.00 . . . . . . . 43 ILE HG2 . 50523 1 495 . 1 . 1 43 43 ILE HD11 H 1 0.869 0.00 . . . . . . . 43 ILE HD1 . 50523 1 496 . 1 . 1 43 43 ILE HD12 H 1 0.869 0.00 . . . . . . . 43 ILE HD1 . 50523 1 497 . 1 . 1 43 43 ILE HD13 H 1 0.869 0.00 . . . . . . . 43 ILE HD1 . 50523 1 498 . 1 . 1 43 43 ILE C C 13 176.860 0.01 . . . . . . . 43 ILE C . 50523 1 499 . 1 . 1 43 43 ILE CA C 13 60.333 0.20 . . . . . . . 43 ILE CA . 50523 1 500 . 1 . 1 43 43 ILE CB C 13 38.077 0.07 . . . . . . . 43 ILE CB . 50523 1 501 . 1 . 1 43 43 ILE CG1 C 13 26.573 0.04 . . . . . . . 43 ILE CG1 . 50523 1 502 . 1 . 1 43 43 ILE CG2 C 13 17.485 0.00 . . . . . . . 43 ILE CG2 . 50523 1 503 . 1 . 1 43 43 ILE CD1 C 13 10.830 0.05 . . . . . . . 43 ILE CD1 . 50523 1 504 . 1 . 1 43 43 ILE N N 15 120.780 0.05 . . . . . . . 43 ILE N . 50523 1 505 . 1 . 1 44 44 VAL H H 1 9.172 0.01 . . . . . . . 44 VAL H . 50523 1 506 . 1 . 1 44 44 VAL HA H 1 5.779 0.01 . . . . . . . 44 VAL HA . 50523 1 507 . 1 . 1 44 44 VAL HB H 1 2.101 0.00 . . . . . . . 44 VAL HB . 50523 1 508 . 1 . 1 44 44 VAL HG11 H 1 0.857 0.00 . . . . . . . 44 VAL HG1 . 50523 1 509 . 1 . 1 44 44 VAL HG12 H 1 0.857 0.00 . . . . . . . 44 VAL HG1 . 50523 1 510 . 1 . 1 44 44 VAL HG13 H 1 0.857 0.00 . . . . . . . 44 VAL HG1 . 50523 1 511 . 1 . 1 44 44 VAL HG21 H 1 0.772 0.00 . . . . . . . 44 VAL HG2 . 50523 1 512 . 1 . 1 44 44 VAL HG22 H 1 0.772 0.00 . . . . . . . 44 VAL HG2 . 50523 1 513 . 1 . 1 44 44 VAL HG23 H 1 0.772 0.00 . . . . . . . 44 VAL HG2 . 50523 1 514 . 1 . 1 44 44 VAL C C 13 175.562 0.01 . . . . . . . 44 VAL C . 50523 1 515 . 1 . 1 44 44 VAL CA C 13 57.768 0.04 . . . . . . . 44 VAL CA . 50523 1 516 . 1 . 1 44 44 VAL CB C 13 34.568 0.02 . . . . . . . 44 VAL CB . 50523 1 517 . 1 . 1 44 44 VAL CG1 C 13 22.410 0.08 . . . . . . . 44 VAL CG1 . 50523 1 518 . 1 . 1 44 44 VAL CG2 C 13 19.046 0.03 . . . . . . . 44 VAL CG2 . 50523 1 519 . 1 . 1 44 44 VAL N N 15 119.776 0.04 . . . . . . . 44 VAL N . 50523 1 520 . 1 . 1 45 45 GLY H H 1 9.079 0.01 . . . . . . . 45 GLY H . 50523 1 521 . 1 . 1 45 45 GLY HA2 H 1 5.183 0.00 . . . . . . . 45 GLY HA2 . 50523 1 522 . 1 . 1 45 45 GLY HA3 H 1 4.371 0.00 . . . . . . . 45 GLY HA3 . 50523 1 523 . 1 . 1 45 45 GLY C C 13 171.776 0.01 . . . . . . . 45 GLY C . 50523 1 524 . 1 . 1 45 45 GLY CA C 13 47.321 0.05 . . . . . . . 45 GLY CA . 50523 1 525 . 1 . 1 45 45 GLY N N 15 105.140 0.04 . . . . . . . 45 GLY N . 50523 1 526 . 1 . 1 46 46 ASP H H 1 9.409 0.01 . . . . . . . 46 ASP H . 50523 1 527 . 1 . 1 46 46 ASP HA H 1 4.949 0.01 . . . . . . . 46 ASP HA . 50523 1 528 . 1 . 1 46 46 ASP HB2 H 1 3.474 0.00 . . . . . . . 46 ASP HB . 50523 1 529 . 1 . 1 46 46 ASP HB3 H 1 3.474 0.00 . . . . . . . 46 ASP HB . 50523 1 530 . 1 . 1 46 46 ASP C C 13 175.632 0.01 . . . . . . . 46 ASP C . 50523 1 531 . 1 . 1 46 46 ASP CA C 13 53.138 0.08 . . . . . . . 46 ASP CA . 50523 1 532 . 1 . 1 46 46 ASP CB C 13 42.328 0.03 . . . . . . . 46 ASP CB . 50523 1 533 . 1 . 1 46 46 ASP N N 15 121.164 0.06 . . . . . . . 46 ASP N . 50523 1 534 . 1 . 1 47 47 GLU H H 1 10.202 0.01 . . . . . . . 47 GLU H . 50523 1 535 . 1 . 1 47 47 GLU HA H 1 4.523 0.00 . . . . . . . 47 GLU HA . 50523 1 536 . 1 . 1 47 47 GLU HB2 H 1 2.332 0.01 . . . . . . . 47 GLU HB2 . 50523 1 537 . 1 . 1 47 47 GLU HB3 H 1 2.056 0.00 . . . . . . . 47 GLU HB3 . 50523 1 538 . 1 . 1 47 47 GLU HG2 H 1 2.553 0.00 . . . . . . . 47 GLU HG2 . 50523 1 539 . 1 . 1 47 47 GLU HG3 H 1 2.470 0.00 . . . . . . . 47 GLU HG3 . 50523 1 540 . 1 . 1 47 47 GLU C C 13 176.975 0.01 . . . . . . . 47 GLU C . 50523 1 541 . 1 . 1 47 47 GLU CA C 13 59.119 0.06 . . . . . . . 47 GLU CA . 50523 1 542 . 1 . 1 47 47 GLU CB C 13 27.693 0.12 . . . . . . . 47 GLU CB . 50523 1 543 . 1 . 1 47 47 GLU CG C 13 35.503 0.04 . . . . . . . 47 GLU CG . 50523 1 544 . 1 . 1 47 47 GLU N N 15 116.216 0.06 . . . . . . . 47 GLU N . 50523 1 545 . 1 . 1 48 48 THR H H 1 9.707 0.01 . . . . . . . 48 THR H . 50523 1 546 . 1 . 1 48 48 THR HA H 1 4.740 0.00 . . . . . . . 48 THR HA . 50523 1 547 . 1 . 1 48 48 THR HB H 1 4.516 0.00 . . . . . . . 48 THR HB . 50523 1 548 . 1 . 1 48 48 THR HG21 H 1 1.274 0.00 . . . . . . . 48 THR HG2 . 50523 1 549 . 1 . 1 48 48 THR HG22 H 1 1.274 0.00 . . . . . . . 48 THR HG2 . 50523 1 550 . 1 . 1 48 48 THR HG23 H 1 1.274 0.00 . . . . . . . 48 THR HG2 . 50523 1 551 . 1 . 1 48 48 THR C C 13 175.910 0.01 . . . . . . . 48 THR C . 50523 1 552 . 1 . 1 48 48 THR CA C 13 62.280 0.06 . . . . . . . 48 THR CA . 50523 1 553 . 1 . 1 48 48 THR CB C 13 71.270 0.04 . . . . . . . 48 THR CB . 50523 1 554 . 1 . 1 48 48 THR CG2 C 13 23.135 0.09 . . . . . . . 48 THR CG2 . 50523 1 555 . 1 . 1 48 48 THR N N 15 111.783 0.04 . . . . . . . 48 THR N . 50523 1 556 . 1 . 1 49 49 GLY H H 1 7.878 0.01 . . . . . . . 49 GLY H . 50523 1 557 . 1 . 1 49 49 GLY HA2 H 1 4.400 0.00 . . . . . . . 49 GLY HA2 . 50523 1 558 . 1 . 1 49 49 GLY HA3 H 1 4.025 0.00 . . . . . . . 49 GLY HA3 . 50523 1 559 . 1 . 1 49 49 GLY C C 13 169.903 0.01 . . . . . . . 49 GLY C . 50523 1 560 . 1 . 1 49 49 GLY CA C 13 45.366 0.03 . . . . . . . 49 GLY CA . 50523 1 561 . 1 . 1 49 49 GLY N N 15 110.537 0.06 . . . . . . . 49 GLY N . 50523 1 562 . 1 . 1 50 50 ARG H H 1 8.789 0.01 . . . . . . . 50 ARG H . 50523 1 563 . 1 . 1 50 50 ARG HA H 1 5.783 0.01 . . . . . . . 50 ARG HA . 50523 1 564 . 1 . 1 50 50 ARG HB2 H 1 1.788 0.00 . . . . . . . 50 ARG HB2 . 50523 1 565 . 1 . 1 50 50 ARG HB3 H 1 1.599 0.00 . . . . . . . 50 ARG HB3 . 50523 1 566 . 1 . 1 50 50 ARG HG2 H 1 1.645 0.01 . . . . . . . 50 ARG HG . 50523 1 567 . 1 . 1 50 50 ARG HG3 H 1 1.645 0.01 . . . . . . . 50 ARG HG . 50523 1 568 . 1 . 1 50 50 ARG HD2 H 1 3.385 0.01 . . . . . . . 50 ARG HD . 50523 1 569 . 1 . 1 50 50 ARG HD3 H 1 3.385 0.01 . . . . . . . 50 ARG HD . 50523 1 570 . 1 . 1 50 50 ARG C C 13 174.341 0.01 . . . . . . . 50 ARG C . 50523 1 571 . 1 . 1 50 50 ARG CA C 13 53.628 0.09 . . . . . . . 50 ARG CA . 50523 1 572 . 1 . 1 50 50 ARG CB C 13 34.683 0.03 . . . . . . . 50 ARG CB . 50523 1 573 . 1 . 1 50 50 ARG CG C 13 24.313 0.07 . . . . . . . 50 ARG CG . 50523 1 574 . 1 . 1 50 50 ARG CD C 13 44.215 0.02 . . . . . . . 50 ARG CD . 50523 1 575 . 1 . 1 50 50 ARG N N 15 114.458 0.08 . . . . . . . 50 ARG N . 50523 1 576 . 1 . 1 51 51 VAL H H 1 9.356 0.01 . . . . . . . 51 VAL H . 50523 1 577 . 1 . 1 51 51 VAL HA H 1 4.801 0.01 . . . . . . . 51 VAL HA . 50523 1 578 . 1 . 1 51 51 VAL HB H 1 2.066 0.00 . . . . . . . 51 VAL HB . 50523 1 579 . 1 . 1 51 51 VAL HG11 H 1 1.148 0.00 . . . . . . . 51 VAL HG1 . 50523 1 580 . 1 . 1 51 51 VAL HG12 H 1 1.148 0.00 . . . . . . . 51 VAL HG1 . 50523 1 581 . 1 . 1 51 51 VAL HG13 H 1 1.148 0.00 . . . . . . . 51 VAL HG1 . 50523 1 582 . 1 . 1 51 51 VAL HG21 H 1 0.757 0.00 . . . . . . . 51 VAL HG2 . 50523 1 583 . 1 . 1 51 51 VAL HG22 H 1 0.757 0.00 . . . . . . . 51 VAL HG2 . 50523 1 584 . 1 . 1 51 51 VAL HG23 H 1 0.757 0.00 . . . . . . . 51 VAL HG2 . 50523 1 585 . 1 . 1 51 51 VAL C C 13 173.101 0.01 . . . . . . . 51 VAL C . 50523 1 586 . 1 . 1 51 51 VAL CA C 13 59.750 0.17 . . . . . . . 51 VAL CA . 50523 1 587 . 1 . 1 51 51 VAL CB C 13 35.589 0.11 . . . . . . . 51 VAL CB . 50523 1 588 . 1 . 1 51 51 VAL CG1 C 13 21.370 0.09 . . . . . . . 51 VAL CG# . 50523 1 589 . 1 . 1 51 51 VAL CG2 C 13 21.370 0.09 . . . . . . . 51 VAL CG# . 50523 1 590 . 1 . 1 51 51 VAL N N 15 116.323 0.03 . . . . . . . 51 VAL N . 50523 1 591 . 1 . 1 52 52 LYS H H 1 8.816 0.01 . . . . . . . 52 LYS H . 50523 1 592 . 1 . 1 52 52 LYS HA H 1 4.861 0.02 . . . . . . . 52 LYS HA . 50523 1 593 . 1 . 1 52 52 LYS HB2 H 1 1.848 0.00 . . . . . . . 52 LYS HB2 . 50523 1 594 . 1 . 1 52 52 LYS HB3 H 1 1.939 0.01 . . . . . . . 52 LYS HB3 . 50523 1 595 . 1 . 1 52 52 LYS HG2 H 1 1.511 0.02 . . . . . . . 52 LYS HG . 50523 1 596 . 1 . 1 52 52 LYS HG3 H 1 1.511 0.02 . . . . . . . 52 LYS HG . 50523 1 597 . 1 . 1 52 52 LYS HD2 H 1 1.675 0.01 . . . . . . . 52 LYS HD . 50523 1 598 . 1 . 1 52 52 LYS HD3 H 1 1.675 0.01 . . . . . . . 52 LYS HD . 50523 1 599 . 1 . 1 52 52 LYS HE2 H 1 2.873 0.01 . . . . . . . 52 LYS HE . 50523 1 600 . 1 . 1 52 52 LYS HE3 H 1 2.873 0.01 . . . . . . . 52 LYS HE . 50523 1 601 . 1 . 1 52 52 LYS C C 13 174.752 0.00 . . . . . . . 52 LYS C . 50523 1 602 . 1 . 1 52 52 LYS CA C 13 56.828 0.15 . . . . . . . 52 LYS CA . 50523 1 603 . 1 . 1 52 52 LYS CB C 13 32.883 0.06 . . . . . . . 52 LYS CB . 50523 1 604 . 1 . 1 52 52 LYS CG C 13 25.326 0.05 . . . . . . . 52 LYS CG . 50523 1 605 . 1 . 1 52 52 LYS CD C 13 29.032 0.04 . . . . . . . 52 LYS CD . 50523 1 606 . 1 . 1 52 52 LYS CE C 13 42.094 0.04 . . . . . . . 52 LYS CE . 50523 1 607 . 1 . 1 52 52 LYS N N 15 126.337 0.09 . . . . . . . 52 LYS N . 50523 1 608 . 1 . 1 53 53 LEU H H 1 9.314 0.01 . . . . . . . 53 LEU H . 50523 1 609 . 1 . 1 53 53 LEU HA H 1 5.170 0.00 . . . . . . . 53 LEU HA . 50523 1 610 . 1 . 1 53 53 LEU HB2 H 1 1.115 0.01 . . . . . . . 53 LEU HB2 . 50523 1 611 . 1 . 1 53 53 LEU HB3 H 1 1.712 0.02 . . . . . . . 53 LEU HB3 . 50523 1 612 . 1 . 1 53 53 LEU HG H 1 1.301 0.01 . . . . . . . 53 LEU HG . 50523 1 613 . 1 . 1 53 53 LEU HD11 H 1 0.642 0.02 . . . . . . . 53 LEU HD1 . 50523 1 614 . 1 . 1 53 53 LEU HD12 H 1 0.642 0.02 . . . . . . . 53 LEU HD1 . 50523 1 615 . 1 . 1 53 53 LEU HD13 H 1 0.642 0.02 . . . . . . . 53 LEU HD1 . 50523 1 616 . 1 . 1 53 53 LEU HD21 H 1 0.588 0.00 . . . . . . . 53 LEU HD2 . 50523 1 617 . 1 . 1 53 53 LEU HD22 H 1 0.588 0.00 . . . . . . . 53 LEU HD2 . 50523 1 618 . 1 . 1 53 53 LEU HD23 H 1 0.588 0.00 . . . . . . . 53 LEU HD2 . 50523 1 619 . 1 . 1 53 53 LEU C C 13 175.271 0.03 . . . . . . . 53 LEU C . 50523 1 620 . 1 . 1 53 53 LEU CA C 13 52.212 0.07 . . . . . . . 53 LEU CA . 50523 1 621 . 1 . 1 53 53 LEU CB C 13 46.196 0.12 . . . . . . . 53 LEU CB . 50523 1 622 . 1 . 1 53 53 LEU CG C 13 27.554 0.22 . . . . . . . 53 LEU CG . 50523 1 623 . 1 . 1 53 53 LEU CD1 C 13 22.655 0.04 . . . . . . . 53 LEU CD1 . 50523 1 624 . 1 . 1 53 53 LEU CD2 C 13 21.881 0.00 . . . . . . . 53 LEU CD2 . 50523 1 625 . 1 . 1 53 53 LEU N N 15 128.532 0.06 . . . . . . . 53 LEU N . 50523 1 626 . 1 . 1 54 54 THR H H 1 8.777 0.02 . . . . . . . 54 THR H . 50523 1 627 . 1 . 1 54 54 THR HA H 1 4.601 0.01 . . . . . . . 54 THR HA . 50523 1 628 . 1 . 1 54 54 THR HB H 1 3.965 0.00 . . . . . . . 54 THR HB . 50523 1 629 . 1 . 1 54 54 THR HG21 H 1 0.403 0.00 . . . . . . . 54 THR HG2 . 50523 1 630 . 1 . 1 54 54 THR HG22 H 1 0.403 0.00 . . . . . . . 54 THR HG2 . 50523 1 631 . 1 . 1 54 54 THR HG23 H 1 0.403 0.00 . . . . . . . 54 THR HG2 . 50523 1 632 . 1 . 1 54 54 THR C C 13 173.239 0.01 . . . . . . . 54 THR C . 50523 1 633 . 1 . 1 54 54 THR CA C 13 62.830 0.19 . . . . . . . 54 THR CA . 50523 1 634 . 1 . 1 54 54 THR CB C 13 69.031 0.18 . . . . . . . 54 THR CB . 50523 1 635 . 1 . 1 54 54 THR CG2 C 13 21.270 0.09 . . . . . . . 54 THR CG2 . 50523 1 636 . 1 . 1 54 54 THR N N 15 123.958 0.12 . . . . . . . 54 THR N . 50523 1 637 . 1 . 1 55 55 LEU H H 1 9.011 0.01 . . . . . . . 55 LEU H . 50523 1 638 . 1 . 1 55 55 LEU HA H 1 4.635 0.01 . . . . . . . 55 LEU HA . 50523 1 639 . 1 . 1 55 55 LEU HB2 H 1 1.101 0.02 . . . . . . . 55 LEU HB . 50523 1 640 . 1 . 1 55 55 LEU HB3 H 1 1.101 0.02 . . . . . . . 55 LEU HB . 50523 1 641 . 1 . 1 55 55 LEU HG H 1 2.123 0.00 . . . . . . . 55 LEU HG . 50523 1 642 . 1 . 1 55 55 LEU HD11 H 1 0.833 0.00 . . . . . . . 55 LEU HD1 . 50523 1 643 . 1 . 1 55 55 LEU HD12 H 1 0.833 0.00 . . . . . . . 55 LEU HD1 . 50523 1 644 . 1 . 1 55 55 LEU HD13 H 1 0.833 0.00 . . . . . . . 55 LEU HD1 . 50523 1 645 . 1 . 1 55 55 LEU HD21 H 1 0.767 0.00 . . . . . . . 55 LEU HD2 . 50523 1 646 . 1 . 1 55 55 LEU HD22 H 1 0.767 0.00 . . . . . . . 55 LEU HD2 . 50523 1 647 . 1 . 1 55 55 LEU HD23 H 1 0.767 0.00 . . . . . . . 55 LEU HD2 . 50523 1 648 . 1 . 1 55 55 LEU C C 13 174.884 0.01 . . . . . . . 55 LEU C . 50523 1 649 . 1 . 1 55 55 LEU CA C 13 54.872 0.14 . . . . . . . 55 LEU CA . 50523 1 650 . 1 . 1 55 55 LEU CB C 13 40.543 0.05 . . . . . . . 55 LEU CB . 50523 1 651 . 1 . 1 55 55 LEU CG C 13 28.059 0.00 . . . . . . . 55 LEU CG . 50523 1 652 . 1 . 1 55 55 LEU CD1 C 13 26.000 0.00 . . . . . . . 55 LEU CD1 . 50523 1 653 . 1 . 1 55 55 LEU CD2 C 13 24.094 0.00 . . . . . . . 55 LEU CD2 . 50523 1 654 . 1 . 1 55 55 LEU N N 15 128.357 0.03 . . . . . . . 55 LEU N . 50523 1 655 . 1 . 1 56 56 TRP H H 1 8.794 0.02 . . . . . . . 56 TRP H . 50523 1 656 . 1 . 1 56 56 TRP HA H 1 5.188 0.00 . . . . . . . 56 TRP HA . 50523 1 657 . 1 . 1 56 56 TRP HB2 H 1 3.711 0.00 . . . . . . . 56 TRP HB . 50523 1 658 . 1 . 1 56 56 TRP HB3 H 1 3.711 0.00 . . . . . . . 56 TRP HB . 50523 1 659 . 1 . 1 56 56 TRP C C 13 180.473 0.01 . . . . . . . 56 TRP C . 50523 1 660 . 1 . 1 56 56 TRP CA C 13 56.695 0.13 . . . . . . . 56 TRP CA . 50523 1 661 . 1 . 1 56 56 TRP CB C 13 31.244 0.02 . . . . . . . 56 TRP CB . 50523 1 662 . 1 . 1 56 56 TRP N N 15 121.419 0.08 . . . . . . . 56 TRP N . 50523 1 663 . 1 . 1 57 57 GLY H H 1 9.411 0.01 . . . . . . . 57 GLY H . 50523 1 664 . 1 . 1 57 57 GLY HA2 H 1 4.122 0.00 . . . . . . . 57 GLY HA2 . 50523 1 665 . 1 . 1 57 57 GLY HA3 H 1 4.232 0.00 . . . . . . . 57 GLY HA3 . 50523 1 666 . 1 . 1 57 57 GLY C C 13 178.172 0.01 . . . . . . . 57 GLY C . 50523 1 667 . 1 . 1 57 57 GLY CA C 13 47.684 0.17 . . . . . . . 57 GLY CA . 50523 1 668 . 1 . 1 57 57 GLY N N 15 111.231 0.05 . . . . . . . 57 GLY N . 50523 1 669 . 1 . 1 58 58 LYS H H 1 8.889 0.03 . . . . . . . 58 LYS H . 50523 1 670 . 1 . 1 58 58 LYS HA H 1 4.260 0.01 . . . . . . . 58 LYS HA . 50523 1 671 . 1 . 1 58 58 LYS HB2 H 1 1.850 0.00 . . . . . . . 58 LYS HB2 . 50523 1 672 . 1 . 1 58 58 LYS HB3 H 1 1.930 0.00 . . . . . . . 58 LYS HB3 . 50523 1 673 . 1 . 1 58 58 LYS HG2 H 1 1.411 0.00 . . . . . . . 58 LYS HG2 . 50523 1 674 . 1 . 1 58 58 LYS HG3 H 1 1.061 0.00 . . . . . . . 58 LYS HG3 . 50523 1 675 . 1 . 1 58 58 LYS HD2 H 1 1.741 0.00 . . . . . . . 58 LYS HD . 50523 1 676 . 1 . 1 58 58 LYS HD3 H 1 1.741 0.00 . . . . . . . 58 LYS HD . 50523 1 677 . 1 . 1 58 58 LYS HE2 H 1 3.027 0.00 . . . . . . . 58 LYS HE . 50523 1 678 . 1 . 1 58 58 LYS HE3 H 1 3.027 0.00 . . . . . . . 58 LYS HE . 50523 1 679 . 1 . 1 58 58 LYS C C 13 177.383 0.00 . . . . . . . 58 LYS C . 50523 1 680 . 1 . 1 58 58 LYS CA C 13 58.016 0.10 . . . . . . . 58 LYS CA . 50523 1 681 . 1 . 1 58 58 LYS CB C 13 31.445 0.06 . . . . . . . 58 LYS CB . 50523 1 682 . 1 . 1 58 58 LYS CG C 13 23.668 0.04 . . . . . . . 58 LYS CG . 50523 1 683 . 1 . 1 58 58 LYS CD C 13 29.142 0.05 . . . . . . . 58 LYS CD . 50523 1 684 . 1 . 1 58 58 LYS CE C 13 42.162 0.00 . . . . . . . 58 LYS CE . 50523 1 685 . 1 . 1 58 58 LYS N N 15 127.281 0.13 . . . . . . . 58 LYS N . 50523 1 686 . 1 . 1 59 59 HIS H H 1 7.548 0.04 . . . . . . . 59 HIS H . 50523 1 687 . 1 . 1 59 59 HIS HA H 1 4.734 0.01 . . . . . . . 59 HIS HA . 50523 1 688 . 1 . 1 59 59 HIS HB2 H 1 2.942 0.00 . . . . . . . 59 HIS HB2 . 50523 1 689 . 1 . 1 59 59 HIS HB3 H 1 3.109 0.00 . . . . . . . 59 HIS HB3 . 50523 1 690 . 1 . 1 59 59 HIS C C 13 178.567 0.00 . . . . . . . 59 HIS C . 50523 1 691 . 1 . 1 59 59 HIS CA C 13 55.846 0.06 . . . . . . . 59 HIS CA . 50523 1 692 . 1 . 1 59 59 HIS CB C 13 32.446 0.07 . . . . . . . 59 HIS CB . 50523 1 693 . 1 . 1 59 59 HIS N N 15 114.343 0.14 . . . . . . . 59 HIS N . 50523 1 694 . 1 . 1 60 60 ALA H H 1 8.001 0.02 . . . . . . . 60 ALA H . 50523 1 695 . 1 . 1 60 60 ALA HA H 1 4.152 0.00 . . . . . . . 60 ALA HA . 50523 1 696 . 1 . 1 60 60 ALA HB1 H 1 1.356 0.00 . . . . . . . 60 ALA HB . 50523 1 697 . 1 . 1 60 60 ALA HB2 H 1 1.356 0.00 . . . . . . . 60 ALA HB . 50523 1 698 . 1 . 1 60 60 ALA HB3 H 1 1.356 0.00 . . . . . . . 60 ALA HB . 50523 1 699 . 1 . 1 60 60 ALA C C 13 179.670 0.00 . . . . . . . 60 ALA C . 50523 1 700 . 1 . 1 60 60 ALA CA C 13 53.591 0.06 . . . . . . . 60 ALA CA . 50523 1 701 . 1 . 1 60 60 ALA CB C 13 18.600 0.05 . . . . . . . 60 ALA CB . 50523 1 702 . 1 . 1 60 60 ALA N N 15 124.911 0.12 . . . . . . . 60 ALA N . 50523 1 703 . 1 . 1 61 61 GLY H H 1 9.339 0.02 . . . . . . . 61 GLY H . 50523 1 704 . 1 . 1 61 61 GLY HA2 H 1 4.084 0.00 . . . . . . . 61 GLY HA2 . 50523 1 705 . 1 . 1 61 61 GLY HA3 H 1 4.242 0.00 . . . . . . . 61 GLY HA3 . 50523 1 706 . 1 . 1 61 61 GLY C C 13 176.707 0.01 . . . . . . . 61 GLY C . 50523 1 707 . 1 . 1 61 61 GLY CA C 13 45.929 0.14 . . . . . . . 61 GLY CA . 50523 1 708 . 1 . 1 61 61 GLY N N 15 109.063 0.03 . . . . . . . 61 GLY N . 50523 1 709 . 1 . 1 62 62 SER H H 1 7.841 0.01 . . . . . . . 62 SER H . 50523 1 710 . 1 . 1 62 62 SER HA H 1 4.403 0.00 . . . . . . . 62 SER HA . 50523 1 711 . 1 . 1 62 62 SER HB2 H 1 3.895 0.00 . . . . . . . 62 SER HB2 . 50523 1 712 . 1 . 1 62 62 SER HB3 H 1 4.202 0.00 . . . . . . . 62 SER HB3 . 50523 1 713 . 1 . 1 62 62 SER C C 13 175.176 0.00 . . . . . . . 62 SER C . 50523 1 714 . 1 . 1 62 62 SER CA C 13 60.733 0.11 . . . . . . . 62 SER CA . 50523 1 715 . 1 . 1 62 62 SER CB C 13 64.807 0.05 . . . . . . . 62 SER CB . 50523 1 716 . 1 . 1 62 62 SER N N 15 111.483 0.03 . . . . . . . 62 SER N . 50523 1 717 . 1 . 1 63 63 ILE H H 1 7.258 0.01 . . . . . . . 63 ILE H . 50523 1 718 . 1 . 1 63 63 ILE HA H 1 5.114 0.02 . . . . . . . 63 ILE HA . 50523 1 719 . 1 . 1 63 63 ILE HB H 1 1.903 0.02 . . . . . . . 63 ILE HB . 50523 1 720 . 1 . 1 63 63 ILE HG12 H 1 1.065 0.01 . . . . . . . 63 ILE HG12 . 50523 1 721 . 1 . 1 63 63 ILE HG13 H 1 1.230 0.01 . . . . . . . 63 ILE HG13 . 50523 1 722 . 1 . 1 63 63 ILE HG21 H 1 0.860 0.01 . . . . . . . 63 ILE HG2 . 50523 1 723 . 1 . 1 63 63 ILE HG22 H 1 0.860 0.01 . . . . . . . 63 ILE HG2 . 50523 1 724 . 1 . 1 63 63 ILE HG23 H 1 0.860 0.01 . . . . . . . 63 ILE HG2 . 50523 1 725 . 1 . 1 63 63 ILE HD11 H 1 0.651 0.00 . . . . . . . 63 ILE HD1 . 50523 1 726 . 1 . 1 63 63 ILE HD12 H 1 0.651 0.00 . . . . . . . 63 ILE HD1 . 50523 1 727 . 1 . 1 63 63 ILE HD13 H 1 0.651 0.00 . . . . . . . 63 ILE HD1 . 50523 1 728 . 1 . 1 63 63 ILE C C 13 175.261 0.00 . . . . . . . 63 ILE C . 50523 1 729 . 1 . 1 63 63 ILE CA C 13 59.150 0.35 . . . . . . . 63 ILE CA . 50523 1 730 . 1 . 1 63 63 ILE CB C 13 40.556 0.18 . . . . . . . 63 ILE CB . 50523 1 731 . 1 . 1 63 63 ILE CG1 C 13 23.971 0.02 . . . . . . . 63 ILE CG1 . 50523 1 732 . 1 . 1 63 63 ILE CG2 C 13 17.271 0.06 . . . . . . . 63 ILE CG2 . 50523 1 733 . 1 . 1 63 63 ILE CD1 C 13 13.735 0.08 . . . . . . . 63 ILE CD1 . 50523 1 734 . 1 . 1 63 63 ILE N N 15 113.537 0.05 . . . . . . . 63 ILE N . 50523 1 735 . 1 . 1 64 64 LYS H H 1 8.504 0.01 . . . . . . . 64 LYS H . 50523 1 736 . 1 . 1 64 64 LYS HA H 1 4.675 0.00 . . . . . . . 64 LYS HA . 50523 1 737 . 1 . 1 64 64 LYS HB2 H 1 1.872 0.01 . . . . . . . 64 LYS HB2 . 50523 1 738 . 1 . 1 64 64 LYS HB3 H 1 1.659 0.01 . . . . . . . 64 LYS HB3 . 50523 1 739 . 1 . 1 64 64 LYS HG2 H 1 0.738 0.01 . . . . . . . 64 LYS HG . 50523 1 740 . 1 . 1 64 64 LYS HG3 H 1 0.738 0.01 . . . . . . . 64 LYS HG . 50523 1 741 . 1 . 1 64 64 LYS HD2 H 1 1.424 0.01 . . . . . . . 64 LYS HD2 . 50523 1 742 . 1 . 1 64 64 LYS HD3 H 1 1.524 0.00 . . . . . . . 64 LYS HD3 . 50523 1 743 . 1 . 1 64 64 LYS HE2 H 1 3.051 0.02 . . . . . . . 64 LYS HE . 50523 1 744 . 1 . 1 64 64 LYS HE3 H 1 3.051 0.02 . . . . . . . 64 LYS HE . 50523 1 745 . 1 . 1 64 64 LYS C C 13 175.900 0.00 . . . . . . . 64 LYS C . 50523 1 746 . 1 . 1 64 64 LYS CA C 13 54.032 0.06 . . . . . . . 64 LYS CA . 50523 1 747 . 1 . 1 64 64 LYS CB C 13 35.944 0.03 . . . . . . . 64 LYS CB . 50523 1 748 . 1 . 1 64 64 LYS CG C 13 23.990 0.02 . . . . . . . 64 LYS CG . 50523 1 749 . 1 . 1 64 64 LYS CD C 13 28.796 0.00 . . . . . . . 64 LYS CD . 50523 1 750 . 1 . 1 64 64 LYS CE C 13 42.239 0.05 . . . . . . . 64 LYS CE . 50523 1 751 . 1 . 1 64 64 LYS N N 15 120.371 0.04 . . . . . . . 64 LYS N . 50523 1 752 . 1 . 1 65 65 GLU H H 1 8.777 0.01 . . . . . . . 65 GLU H . 50523 1 753 . 1 . 1 65 65 GLU HA H 1 3.577 0.00 . . . . . . . 65 GLU HA . 50523 1 754 . 1 . 1 65 65 GLU HB2 H 1 2.043 0.00 . . . . . . . 65 GLU HB2 . 50523 1 755 . 1 . 1 65 65 GLU HB3 H 1 2.075 0.00 . . . . . . . 65 GLU HB3 . 50523 1 756 . 1 . 1 65 65 GLU HG2 H 1 2.301 0.00 . . . . . . . 65 GLU HG2 . 50523 1 757 . 1 . 1 65 65 GLU HG3 H 1 2.426 0.00 . . . . . . . 65 GLU HG3 . 50523 1 758 . 1 . 1 65 65 GLU C C 13 177.334 0.01 . . . . . . . 65 GLU C . 50523 1 759 . 1 . 1 65 65 GLU CA C 13 58.511 0.05 . . . . . . . 65 GLU CA . 50523 1 760 . 1 . 1 65 65 GLU CB C 13 29.282 0.07 . . . . . . . 65 GLU CB . 50523 1 761 . 1 . 1 65 65 GLU CG C 13 36.130 0.00 . . . . . . . 65 GLU CG . 50523 1 762 . 1 . 1 65 65 GLU N N 15 120.602 0.05 . . . . . . . 65 GLU N . 50523 1 763 . 1 . 1 66 66 GLY H H 1 9.149 0.01 . . . . . . . 66 GLY H . 50523 1 764 . 1 . 1 66 66 GLY HA2 H 1 4.622 0.00 . . . . . . . 66 GLY HA2 . 50523 1 765 . 1 . 1 66 66 GLY HA3 H 1 3.831 0.00 . . . . . . . 66 GLY HA3 . 50523 1 766 . 1 . 1 66 66 GLY C C 13 175.572 0.00 . . . . . . . 66 GLY C . 50523 1 767 . 1 . 1 66 66 GLY CA C 13 45.194 0.07 . . . . . . . 66 GLY CA . 50523 1 768 . 1 . 1 66 66 GLY N N 15 113.536 0.04 . . . . . . . 66 GLY N . 50523 1 769 . 1 . 1 67 67 GLN H H 1 7.705 0.01 . . . . . . . 67 GLN H . 50523 1 770 . 1 . 1 67 67 GLN HA H 1 4.408 0.00 . . . . . . . 67 GLN HA . 50523 1 771 . 1 . 1 67 67 GLN HB2 H 1 1.982 0.00 . . . . . . . 67 GLN HB2 . 50523 1 772 . 1 . 1 67 67 GLN HB3 H 1 2.263 0.00 . . . . . . . 67 GLN HB3 . 50523 1 773 . 1 . 1 67 67 GLN HG2 H 1 2.499 0.00 . . . . . . . 67 GLN HG . 50523 1 774 . 1 . 1 67 67 GLN HG3 H 1 2.499 0.00 . . . . . . . 67 GLN HG . 50523 1 775 . 1 . 1 67 67 GLN C C 13 175.833 0.00 . . . . . . . 67 GLN C . 50523 1 776 . 1 . 1 67 67 GLN CA C 13 56.900 0.08 . . . . . . . 67 GLN CA . 50523 1 777 . 1 . 1 67 67 GLN CB C 13 31.113 0.06 . . . . . . . 67 GLN CB . 50523 1 778 . 1 . 1 67 67 GLN CG C 13 35.399 0.00 . . . . . . . 67 GLN CG . 50523 1 779 . 1 . 1 67 67 GLN N N 15 119.199 0.05 . . . . . . . 67 GLN N . 50523 1 780 . 1 . 1 68 68 VAL H H 1 8.577 0.02 . . . . . . . 68 VAL H . 50523 1 781 . 1 . 1 68 68 VAL HA H 1 4.823 0.00 . . . . . . . 68 VAL HA . 50523 1 782 . 1 . 1 68 68 VAL HB H 1 1.779 0.00 . . . . . . . 68 VAL HB . 50523 1 783 . 1 . 1 68 68 VAL HG11 H 1 0.793 0.00 . . . . . . . 68 VAL HG1 . 50523 1 784 . 1 . 1 68 68 VAL HG12 H 1 0.793 0.00 . . . . . . . 68 VAL HG1 . 50523 1 785 . 1 . 1 68 68 VAL HG13 H 1 0.793 0.00 . . . . . . . 68 VAL HG1 . 50523 1 786 . 1 . 1 68 68 VAL HG21 H 1 0.035 0.00 . . . . . . . 68 VAL HG2 . 50523 1 787 . 1 . 1 68 68 VAL HG22 H 1 0.035 0.00 . . . . . . . 68 VAL HG2 . 50523 1 788 . 1 . 1 68 68 VAL HG23 H 1 0.035 0.00 . . . . . . . 68 VAL HG2 . 50523 1 789 . 1 . 1 68 68 VAL C C 13 176.702 0.00 . . . . . . . 68 VAL C . 50523 1 790 . 1 . 1 68 68 VAL CA C 13 61.590 0.14 . . . . . . . 68 VAL CA . 50523 1 791 . 1 . 1 68 68 VAL CB C 13 31.498 0.07 . . . . . . . 68 VAL CB . 50523 1 792 . 1 . 1 68 68 VAL CG1 C 13 21.443 0.05 . . . . . . . 68 VAL CG1 . 50523 1 793 . 1 . 1 68 68 VAL CG2 C 13 20.356 0.22 . . . . . . . 68 VAL CG2 . 50523 1 794 . 1 . 1 68 68 VAL N N 15 122.902 0.15 . . . . . . . 68 VAL N . 50523 1 795 . 1 . 1 69 69 VAL H H 1 9.126 0.01 . . . . . . . 69 VAL H . 50523 1 796 . 1 . 1 69 69 VAL HA H 1 5.126 0.00 . . . . . . . 69 VAL HA . 50523 1 797 . 1 . 1 69 69 VAL HB H 1 1.908 0.01 . . . . . . . 69 VAL HB . 50523 1 798 . 1 . 1 69 69 VAL HG11 H 1 0.716 0.00 . . . . . . . 69 VAL HG1 . 50523 1 799 . 1 . 1 69 69 VAL HG12 H 1 0.716 0.00 . . . . . . . 69 VAL HG1 . 50523 1 800 . 1 . 1 69 69 VAL HG13 H 1 0.716 0.00 . . . . . . . 69 VAL HG1 . 50523 1 801 . 1 . 1 69 69 VAL HG21 H 1 0.625 0.00 . . . . . . . 69 VAL HG2 . 50523 1 802 . 1 . 1 69 69 VAL HG22 H 1 0.625 0.00 . . . . . . . 69 VAL HG2 . 50523 1 803 . 1 . 1 69 69 VAL HG23 H 1 0.625 0.00 . . . . . . . 69 VAL HG2 . 50523 1 804 . 1 . 1 69 69 VAL C C 13 174.339 0.00 . . . . . . . 69 VAL C . 50523 1 805 . 1 . 1 69 69 VAL CA C 13 58.021 0.03 . . . . . . . 69 VAL CA . 50523 1 806 . 1 . 1 69 69 VAL CB C 13 34.952 0.13 . . . . . . . 69 VAL CB . 50523 1 807 . 1 . 1 69 69 VAL CG1 C 13 21.643 0.00 . . . . . . . 69 VAL CG1 . 50523 1 808 . 1 . 1 69 69 VAL CG2 C 13 17.979 0.00 . . . . . . . 69 VAL CG2 . 50523 1 809 . 1 . 1 69 69 VAL N N 15 117.940 0.08 . . . . . . . 69 VAL N . 50523 1 810 . 1 . 1 70 70 LYS H H 1 9.225 0.01 . . . . . . . 70 LYS H . 50523 1 811 . 1 . 1 70 70 LYS HA H 1 5.000 0.01 . . . . . . . 70 LYS HA . 50523 1 812 . 1 . 1 70 70 LYS HB2 H 1 1.880 0.02 . . . . . . . 70 LYS HB2 . 50523 1 813 . 1 . 1 70 70 LYS HB3 H 1 1.671 0.01 . . . . . . . 70 LYS HB3 . 50523 1 814 . 1 . 1 70 70 LYS HG2 H 1 1.454 0.00 . . . . . . . 70 LYS HG . 50523 1 815 . 1 . 1 70 70 LYS HG3 H 1 1.454 0.00 . . . . . . . 70 LYS HG . 50523 1 816 . 1 . 1 70 70 LYS HD2 H 1 1.753 0.01 . . . . . . . 70 LYS HD . 50523 1 817 . 1 . 1 70 70 LYS HD3 H 1 1.753 0.01 . . . . . . . 70 LYS HD . 50523 1 818 . 1 . 1 70 70 LYS HE2 H 1 3.013 0.01 . . . . . . . 70 LYS HE . 50523 1 819 . 1 . 1 70 70 LYS HE3 H 1 3.013 0.01 . . . . . . . 70 LYS HE . 50523 1 820 . 1 . 1 70 70 LYS C C 13 176.136 0.02 . . . . . . . 70 LYS C . 50523 1 821 . 1 . 1 70 70 LYS CA C 13 55.248 0.06 . . . . . . . 70 LYS CA . 50523 1 822 . 1 . 1 70 70 LYS CB C 13 34.009 0.11 . . . . . . . 70 LYS CB . 50523 1 823 . 1 . 1 70 70 LYS CG C 13 25.235 0.00 . . . . . . . 70 LYS CG . 50523 1 824 . 1 . 1 70 70 LYS CD C 13 29.035 0.04 . . . . . . . 70 LYS CD . 50523 1 825 . 1 . 1 70 70 LYS CE C 13 41.703 0.00 . . . . . . . 70 LYS CE . 50523 1 826 . 1 . 1 70 70 LYS N N 15 123.026 0.08 . . . . . . . 70 LYS N . 50523 1 827 . 1 . 1 71 71 ILE H H 1 9.290 0.01 . . . . . . . 71 ILE H . 50523 1 828 . 1 . 1 71 71 ILE HA H 1 4.871 0.01 . . . . . . . 71 ILE HA . 50523 1 829 . 1 . 1 71 71 ILE HB H 1 1.932 0.00 . . . . . . . 71 ILE HB . 50523 1 830 . 1 . 1 71 71 ILE HG12 H 1 0.797 0.00 . . . . . . . 71 ILE HG12 . 50523 1 831 . 1 . 1 71 71 ILE HG13 H 1 1.631 0.01 . . . . . . . 71 ILE HG13 . 50523 1 832 . 1 . 1 71 71 ILE HG21 H 1 0.756 0.01 . . . . . . . 71 ILE HG2 . 50523 1 833 . 1 . 1 71 71 ILE HG22 H 1 0.756 0.01 . . . . . . . 71 ILE HG2 . 50523 1 834 . 1 . 1 71 71 ILE HG23 H 1 0.756 0.01 . . . . . . . 71 ILE HG2 . 50523 1 835 . 1 . 1 71 71 ILE HD11 H 1 0.571 0.00 . . . . . . . 71 ILE HD1 . 50523 1 836 . 1 . 1 71 71 ILE HD12 H 1 0.571 0.00 . . . . . . . 71 ILE HD1 . 50523 1 837 . 1 . 1 71 71 ILE HD13 H 1 0.571 0.00 . . . . . . . 71 ILE HD1 . 50523 1 838 . 1 . 1 71 71 ILE C C 13 175.771 0.00 . . . . . . . 71 ILE C . 50523 1 839 . 1 . 1 71 71 ILE CA C 13 60.465 0.10 . . . . . . . 71 ILE CA . 50523 1 840 . 1 . 1 71 71 ILE CB C 13 38.551 0.04 . . . . . . . 71 ILE CB . 50523 1 841 . 1 . 1 71 71 ILE CG1 C 13 27.102 0.00 . . . . . . . 71 ILE CG1 . 50523 1 842 . 1 . 1 71 71 ILE CG2 C 13 18.212 0.05 . . . . . . . 71 ILE CG2 . 50523 1 843 . 1 . 1 71 71 ILE CD1 C 13 13.685 0.09 . . . . . . . 71 ILE CD1 . 50523 1 844 . 1 . 1 71 71 ILE N N 15 126.968 0.09 . . . . . . . 71 ILE N . 50523 1 845 . 1 . 1 72 72 GLU H H 1 9.399 0.01 . . . . . . . 72 GLU H . 50523 1 846 . 1 . 1 72 72 GLU HA H 1 5.123 0.00 . . . . . . . 72 GLU HA . 50523 1 847 . 1 . 1 72 72 GLU HB2 H 1 2.013 0.00 . . . . . . . 72 GLU HB2 . 50523 1 848 . 1 . 1 72 72 GLU HB3 H 1 2.112 0.01 . . . . . . . 72 GLU HB3 . 50523 1 849 . 1 . 1 72 72 GLU HG2 H 1 2.211 0.02 . . . . . . . 72 GLU HG . 50523 1 850 . 1 . 1 72 72 GLU HG3 H 1 2.211 0.02 . . . . . . . 72 GLU HG . 50523 1 851 . 1 . 1 72 72 GLU C C 13 176.753 0.00 . . . . . . . 72 GLU C . 50523 1 852 . 1 . 1 72 72 GLU CA C 13 53.950 0.03 . . . . . . . 72 GLU CA . 50523 1 853 . 1 . 1 72 72 GLU CB C 13 33.032 0.04 . . . . . . . 72 GLU CB . 50523 1 854 . 1 . 1 72 72 GLU CG C 13 36.632 0.07 . . . . . . . 72 GLU CG . 50523 1 855 . 1 . 1 72 72 GLU N N 15 125.976 0.03 . . . . . . . 72 GLU N . 50523 1 856 . 1 . 1 73 73 ASN H H 1 9.069 0.00 . . . . . . . 73 ASN H . 50523 1 857 . 1 . 1 73 73 ASN HA H 1 4.530 0.00 . . . . . . . 73 ASN HA . 50523 1 858 . 1 . 1 73 73 ASN HB2 H 1 3.880 0.00 . . . . . . . 73 ASN HB2 . 50523 1 859 . 1 . 1 73 73 ASN HB3 H 1 3.011 0.00 . . . . . . . 73 ASN HB3 . 50523 1 860 . 1 . 1 73 73 ASN C C 13 177.993 0.01 . . . . . . . 73 ASN C . 50523 1 861 . 1 . 1 73 73 ASN CA C 13 54.535 0.11 . . . . . . . 73 ASN CA . 50523 1 862 . 1 . 1 73 73 ASN CB C 13 36.851 0.04 . . . . . . . 73 ASN CB . 50523 1 863 . 1 . 1 73 73 ASN N N 15 121.414 0.04 . . . . . . . 73 ASN N . 50523 1 864 . 1 . 1 74 74 ALA H H 1 9.232 0.01 . . . . . . . 74 ALA H . 50523 1 865 . 1 . 1 74 74 ALA HA H 1 5.038 0.00 . . . . . . . 74 ALA HA . 50523 1 866 . 1 . 1 74 74 ALA HB1 H 1 1.430 0.00 . . . . . . . 74 ALA HB . 50523 1 867 . 1 . 1 74 74 ALA HB2 H 1 1.430 0.00 . . . . . . . 74 ALA HB . 50523 1 868 . 1 . 1 74 74 ALA HB3 H 1 1.430 0.00 . . . . . . . 74 ALA HB . 50523 1 869 . 1 . 1 74 74 ALA C C 13 176.002 0.01 . . . . . . . 74 ALA C . 50523 1 870 . 1 . 1 74 74 ALA CA C 13 52.028 0.12 . . . . . . . 74 ALA CA . 50523 1 871 . 1 . 1 74 74 ALA CB C 13 20.664 0.05 . . . . . . . 74 ALA CB . 50523 1 872 . 1 . 1 74 74 ALA N N 15 124.023 0.08 . . . . . . . 74 ALA N . 50523 1 873 . 1 . 1 75 75 TRP H H 1 8.237 0.01 . . . . . . . 75 TRP H . 50523 1 874 . 1 . 1 75 75 TRP HA H 1 5.655 0.00 . . . . . . . 75 TRP HA . 50523 1 875 . 1 . 1 75 75 TRP HB2 H 1 3.883 0.00 . . . . . . . 75 TRP HB2 . 50523 1 876 . 1 . 1 75 75 TRP HB3 H 1 3.510 0.00 . . . . . . . 75 TRP HB3 . 50523 1 877 . 1 . 1 75 75 TRP C C 13 177.331 0.01 . . . . . . . 75 TRP C . 50523 1 878 . 1 . 1 75 75 TRP CA C 13 56.715 0.05 . . . . . . . 75 TRP CA . 50523 1 879 . 1 . 1 75 75 TRP CB C 13 32.338 0.03 . . . . . . . 75 TRP CB . 50523 1 880 . 1 . 1 75 75 TRP N N 15 115.014 0.07 . . . . . . . 75 TRP N . 50523 1 881 . 1 . 1 76 76 THR H H 1 9.255 0.01 . . . . . . . 76 THR H . 50523 1 882 . 1 . 1 76 76 THR HA H 1 5.942 0.00 . . . . . . . 76 THR HA . 50523 1 883 . 1 . 1 76 76 THR HB H 1 4.554 0.00 . . . . . . . 76 THR HB . 50523 1 884 . 1 . 1 76 76 THR HG21 H 1 1.271 0.00 . . . . . . . 76 THR HG2 . 50523 1 885 . 1 . 1 76 76 THR HG22 H 1 1.271 0.00 . . . . . . . 76 THR HG2 . 50523 1 886 . 1 . 1 76 76 THR HG23 H 1 1.271 0.00 . . . . . . . 76 THR HG2 . 50523 1 887 . 1 . 1 76 76 THR C C 13 175.934 0.00 . . . . . . . 76 THR C . 50523 1 888 . 1 . 1 76 76 THR CA C 13 58.298 0.11 . . . . . . . 76 THR CA . 50523 1 889 . 1 . 1 76 76 THR CB C 13 72.127 0.02 . . . . . . . 76 THR CB . 50523 1 890 . 1 . 1 76 76 THR CG2 C 13 24.059 0.01 . . . . . . . 76 THR CG2 . 50523 1 891 . 1 . 1 76 76 THR N N 15 110.680 0.04 . . . . . . . 76 THR N . 50523 1 892 . 1 . 1 77 77 THR H H 1 8.897 0.02 . . . . . . . 77 THR H . 50523 1 893 . 1 . 1 77 77 THR HA H 1 4.976 0.00 . . . . . . . 77 THR HA . 50523 1 894 . 1 . 1 77 77 THR HB H 1 4.685 0.00 . . . . . . . 77 THR HB . 50523 1 895 . 1 . 1 77 77 THR HG21 H 1 1.532 0.01 . . . . . . . 77 THR HG2 . 50523 1 896 . 1 . 1 77 77 THR HG22 H 1 1.532 0.01 . . . . . . . 77 THR HG2 . 50523 1 897 . 1 . 1 77 77 THR HG23 H 1 1.532 0.01 . . . . . . . 77 THR HG2 . 50523 1 898 . 1 . 1 77 77 THR C C 13 173.848 0.01 . . . . . . . 77 THR C . 50523 1 899 . 1 . 1 77 77 THR CA C 13 59.746 0.10 . . . . . . . 77 THR CA . 50523 1 900 . 1 . 1 77 77 THR CB C 13 72.057 0.06 . . . . . . . 77 THR CB . 50523 1 901 . 1 . 1 77 77 THR CG2 C 13 21.818 0.03 . . . . . . . 77 THR CG2 . 50523 1 902 . 1 . 1 77 77 THR N N 15 112.742 0.09 . . . . . . . 77 THR N . 50523 1 903 . 1 . 1 78 78 ALA H H 1 8.707 0.01 . . . . . . . 78 ALA H . 50523 1 904 . 1 . 1 78 78 ALA HA H 1 5.427 0.00 . . . . . . . 78 ALA HA . 50523 1 905 . 1 . 1 78 78 ALA HB1 H 1 1.380 0.00 . . . . . . . 78 ALA HB . 50523 1 906 . 1 . 1 78 78 ALA HB2 H 1 1.380 0.00 . . . . . . . 78 ALA HB . 50523 1 907 . 1 . 1 78 78 ALA HB3 H 1 1.380 0.00 . . . . . . . 78 ALA HB . 50523 1 908 . 1 . 1 78 78 ALA C C 13 177.627 0.01 . . . . . . . 78 ALA C . 50523 1 909 . 1 . 1 78 78 ALA CA C 13 50.991 0.08 . . . . . . . 78 ALA CA . 50523 1 910 . 1 . 1 78 78 ALA CB C 13 21.601 0.05 . . . . . . . 78 ALA CB . 50523 1 911 . 1 . 1 78 78 ALA N N 15 121.516 0.06 . . . . . . . 78 ALA N . 50523 1 912 . 1 . 1 79 79 PHE H H 1 9.108 0.00 . . . . . . . 79 PHE H . 50523 1 913 . 1 . 1 79 79 PHE HA H 1 4.858 0.01 . . . . . . . 79 PHE HA . 50523 1 914 . 1 . 1 79 79 PHE HB2 H 1 3.161 0.00 . . . . . . . 79 PHE HB2 . 50523 1 915 . 1 . 1 79 79 PHE HB3 H 1 2.947 0.00 . . . . . . . 79 PHE HB3 . 50523 1 916 . 1 . 1 79 79 PHE C C 13 175.477 0.00 . . . . . . . 79 PHE C . 50523 1 917 . 1 . 1 79 79 PHE CA C 13 57.720 0.10 . . . . . . . 79 PHE CA . 50523 1 918 . 1 . 1 79 79 PHE CB C 13 41.236 0.08 . . . . . . . 79 PHE CB . 50523 1 919 . 1 . 1 79 79 PHE N N 15 122.547 0.05 . . . . . . . 79 PHE N . 50523 1 920 . 1 . 1 80 80 LYS H H 1 9.181 0.00 . . . . . . . 80 LYS H . 50523 1 921 . 1 . 1 80 80 LYS HA H 1 3.713 0.01 . . . . . . . 80 LYS HA . 50523 1 922 . 1 . 1 80 80 LYS HB2 H 1 1.513 0.01 . . . . . . . 80 LYS HB2 . 50523 1 923 . 1 . 1 80 80 LYS HB3 H 1 1.880 0.00 . . . . . . . 80 LYS HB3 . 50523 1 924 . 1 . 1 80 80 LYS HG2 H 1 0.915 0.01 . . . . . . . 80 LYS HG2 . 50523 1 925 . 1 . 1 80 80 LYS HG3 H 1 0.636 0.01 . . . . . . . 80 LYS HG3 . 50523 1 926 . 1 . 1 80 80 LYS HD2 H 1 1.568 0.00 . . . . . . . 80 LYS HD . 50523 1 927 . 1 . 1 80 80 LYS HD3 H 1 1.568 0.00 . . . . . . . 80 LYS HD . 50523 1 928 . 1 . 1 80 80 LYS HE2 H 1 2.977 0.00 . . . . . . . 80 LYS HE . 50523 1 929 . 1 . 1 80 80 LYS HE3 H 1 2.977 0.00 . . . . . . . 80 LYS HE . 50523 1 930 . 1 . 1 80 80 LYS C C 13 176.958 0.01 . . . . . . . 80 LYS C . 50523 1 931 . 1 . 1 80 80 LYS CA C 13 57.242 0.10 . . . . . . . 80 LYS CA . 50523 1 932 . 1 . 1 80 80 LYS CB C 13 30.147 0.04 . . . . . . . 80 LYS CB . 50523 1 933 . 1 . 1 80 80 LYS CG C 13 24.743 0.03 . . . . . . . 80 LYS CG . 50523 1 934 . 1 . 1 80 80 LYS CD C 13 29.251 0.00 . . . . . . . 80 LYS CD . 50523 1 935 . 1 . 1 80 80 LYS CE C 13 42.075 0.03 . . . . . . . 80 LYS CE . 50523 1 936 . 1 . 1 80 80 LYS N N 15 127.375 0.16 . . . . . . . 80 LYS N . 50523 1 937 . 1 . 1 81 81 GLY H H 1 8.613 0.01 . . . . . . . 81 GLY H . 50523 1 938 . 1 . 1 81 81 GLY HA2 H 1 4.344 0.00 . . . . . . . 81 GLY HA2 . 50523 1 939 . 1 . 1 81 81 GLY HA3 H 1 3.770 0.00 . . . . . . . 81 GLY HA3 . 50523 1 940 . 1 . 1 81 81 GLY C C 13 175.028 0.00 . . . . . . . 81 GLY C . 50523 1 941 . 1 . 1 81 81 GLY CA C 13 45.598 0.08 . . . . . . . 81 GLY CA . 50523 1 942 . 1 . 1 81 81 GLY N N 15 104.070 0.08 . . . . . . . 81 GLY N . 50523 1 943 . 1 . 1 82 82 GLN H H 1 8.221 0.01 . . . . . . . 82 GLN H . 50523 1 944 . 1 . 1 82 82 GLN HA H 1 4.943 0.01 . . . . . . . 82 GLN HA . 50523 1 945 . 1 . 1 82 82 GLN HB2 H 1 2.309 0.00 . . . . . . . 82 GLN HB2 . 50523 1 946 . 1 . 1 82 82 GLN HB3 H 1 2.309 0.00 . . . . . . . 82 GLN HB3 . 50523 1 947 . 1 . 1 82 82 GLN HG2 H 1 2.511 0.00 . . . . . . . 82 GLN HG . 50523 1 948 . 1 . 1 82 82 GLN HG3 H 1 2.511 0.00 . . . . . . . 82 GLN HG . 50523 1 949 . 1 . 1 82 82 GLN C C 13 176.103 0.01 . . . . . . . 82 GLN C . 50523 1 950 . 1 . 1 82 82 GLN CA C 13 54.283 0.06 . . . . . . . 82 GLN CA . 50523 1 951 . 1 . 1 82 82 GLN CB C 13 31.174 0.04 . . . . . . . 82 GLN CB . 50523 1 952 . 1 . 1 82 82 GLN CG C 13 33.974 0.03 . . . . . . . 82 GLN CG . 50523 1 953 . 1 . 1 82 82 GLN N N 15 120.382 0.06 . . . . . . . 82 GLN N . 50523 1 954 . 1 . 1 83 83 VAL H H 1 8.144 0.01 . . . . . . . 83 VAL H . 50523 1 955 . 1 . 1 83 83 VAL HA H 1 4.338 0.01 . . . . . . . 83 VAL HA . 50523 1 956 . 1 . 1 83 83 VAL HB H 1 1.844 0.00 . . . . . . . 83 VAL HB . 50523 1 957 . 1 . 1 83 83 VAL HG11 H 1 0.842 0.00 . . . . . . . 83 VAL HG1 . 50523 1 958 . 1 . 1 83 83 VAL HG12 H 1 0.842 0.00 . . . . . . . 83 VAL HG1 . 50523 1 959 . 1 . 1 83 83 VAL HG13 H 1 0.842 0.00 . . . . . . . 83 VAL HG1 . 50523 1 960 . 1 . 1 83 83 VAL HG21 H 1 0.801 0.00 . . . . . . . 83 VAL HG2 . 50523 1 961 . 1 . 1 83 83 VAL HG22 H 1 0.801 0.00 . . . . . . . 83 VAL HG2 . 50523 1 962 . 1 . 1 83 83 VAL HG23 H 1 0.801 0.00 . . . . . . . 83 VAL HG2 . 50523 1 963 . 1 . 1 83 83 VAL C C 13 174.436 0.01 . . . . . . . 83 VAL C . 50523 1 964 . 1 . 1 83 83 VAL CA C 13 63.163 0.12 . . . . . . . 83 VAL CA . 50523 1 965 . 1 . 1 83 83 VAL CB C 13 32.026 0.13 . . . . . . . 83 VAL CB . 50523 1 966 . 1 . 1 83 83 VAL CG1 C 13 22.395 0.32 . . . . . . . 83 VAL CG1 . 50523 1 967 . 1 . 1 83 83 VAL N N 15 123.510 0.06 . . . . . . . 83 VAL N . 50523 1 968 . 1 . 1 84 84 GLN H H 1 8.780 0.02 . . . . . . . 84 GLN H . 50523 1 969 . 1 . 1 84 84 GLN HA H 1 4.845 0.00 . . . . . . . 84 GLN HA . 50523 1 970 . 1 . 1 84 84 GLN HB2 H 1 2.140 0.00 . . . . . . . 84 GLN HB2 . 50523 1 971 . 1 . 1 84 84 GLN HB3 H 1 2.004 0.00 . . . . . . . 84 GLN HB3 . 50523 1 972 . 1 . 1 84 84 GLN HG2 H 1 2.307 0.00 . . . . . . . 84 GLN HG . 50523 1 973 . 1 . 1 84 84 GLN HG3 H 1 2.307 0.00 . . . . . . . 84 GLN HG . 50523 1 974 . 1 . 1 84 84 GLN C C 13 175.227 0.01 . . . . . . . 84 GLN C . 50523 1 975 . 1 . 1 84 84 GLN CA C 13 54.180 0.04 . . . . . . . 84 GLN CA . 50523 1 976 . 1 . 1 84 84 GLN CB C 13 31.474 0.14 . . . . . . . 84 GLN CB . 50523 1 977 . 1 . 1 84 84 GLN CG C 13 34.111 0.00 . . . . . . . 84 GLN CG . 50523 1 978 . 1 . 1 84 84 GLN N N 15 123.814 0.09 . . . . . . . 84 GLN N . 50523 1 979 . 1 . 1 85 85 LEU H H 1 9.077 0.01 . . . . . . . 85 LEU H . 50523 1 980 . 1 . 1 85 85 LEU HA H 1 4.733 0.00 . . . . . . . 85 LEU HA . 50523 1 981 . 1 . 1 85 85 LEU HB2 H 1 1.263 0.02 . . . . . . . 85 LEU HB2 . 50523 1 982 . 1 . 1 85 85 LEU HB3 H 1 1.681 0.01 . . . . . . . 85 LEU HB3 . 50523 1 983 . 1 . 1 85 85 LEU HG H 1 1.488 0.00 . . . . . . . 85 LEU HG . 50523 1 984 . 1 . 1 85 85 LEU HD11 H 1 0.691 0.00 . . . . . . . 85 LEU HD1 . 50523 1 985 . 1 . 1 85 85 LEU HD12 H 1 0.691 0.00 . . . . . . . 85 LEU HD1 . 50523 1 986 . 1 . 1 85 85 LEU HD13 H 1 0.691 0.00 . . . . . . . 85 LEU HD1 . 50523 1 987 . 1 . 1 85 85 LEU HD21 H 1 0.752 0.01 . . . . . . . 85 LEU HD2 . 50523 1 988 . 1 . 1 85 85 LEU HD22 H 1 0.752 0.01 . . . . . . . 85 LEU HD2 . 50523 1 989 . 1 . 1 85 85 LEU HD23 H 1 0.752 0.01 . . . . . . . 85 LEU HD2 . 50523 1 990 . 1 . 1 85 85 LEU C C 13 175.845 0.02 . . . . . . . 85 LEU C . 50523 1 991 . 1 . 1 85 85 LEU CA C 13 53.520 0.08 . . . . . . . 85 LEU CA . 50523 1 992 . 1 . 1 85 85 LEU CB C 13 46.384 0.11 . . . . . . . 85 LEU CB . 50523 1 993 . 1 . 1 85 85 LEU CG C 13 26.689 0.01 . . . . . . . 85 LEU CG . 50523 1 994 . 1 . 1 85 85 LEU CD1 C 13 25.644 0.00 . . . . . . . 85 LEU CD1 . 50523 1 995 . 1 . 1 85 85 LEU CD2 C 13 25.160 0.03 . . . . . . . 85 LEU CD2 . 50523 1 996 . 1 . 1 85 85 LEU N N 15 124.395 0.08 . . . . . . . 85 LEU N . 50523 1 997 . 1 . 1 86 86 ASN H H 1 8.355 0.01 . . . . . . . 86 ASN H . 50523 1 998 . 1 . 1 86 86 ASN HA H 1 5.433 0.00 . . . . . . . 86 ASN HA . 50523 1 999 . 1 . 1 86 86 ASN HB2 H 1 0.623 0.01 . . . . . . . 86 ASN HB2 . 50523 1 1000 . 1 . 1 86 86 ASN HB3 H 1 1.012 0.00 . . . . . . . 86 ASN HB3 . 50523 1 1001 . 1 . 1 86 86 ASN C C 13 172.647 0.00 . . . . . . . 86 ASN C . 50523 1 1002 . 1 . 1 86 86 ASN CA C 13 52.985 0.07 . . . . . . . 86 ASN CA . 50523 1 1003 . 1 . 1 86 86 ASN CB C 13 42.392 0.06 . . . . . . . 86 ASN CB . 50523 1 1004 . 1 . 1 86 86 ASN N N 15 120.990 0.09 . . . . . . . 86 ASN N . 50523 1 1005 . 1 . 1 87 87 ALA H H 1 8.642 0.01 . . . . . . . 87 ALA H . 50523 1 1006 . 1 . 1 87 87 ALA HA H 1 5.105 0.00 . . . . . . . 87 ALA HA . 50523 1 1007 . 1 . 1 87 87 ALA HB1 H 1 1.127 0.01 . . . . . . . 87 ALA HB . 50523 1 1008 . 1 . 1 87 87 ALA HB2 H 1 1.127 0.01 . . . . . . . 87 ALA HB . 50523 1 1009 . 1 . 1 87 87 ALA HB3 H 1 1.127 0.01 . . . . . . . 87 ALA HB . 50523 1 1010 . 1 . 1 87 87 ALA C C 13 175.979 0.01 . . . . . . . 87 ALA C . 50523 1 1011 . 1 . 1 87 87 ALA CA C 13 49.198 0.12 . . . . . . . 87 ALA CA . 50523 1 1012 . 1 . 1 87 87 ALA CB C 13 21.826 0.08 . . . . . . . 87 ALA CB . 50523 1 1013 . 1 . 1 87 87 ALA N N 15 120.886 0.05 . . . . . . . 87 ALA N . 50523 1 1014 . 1 . 1 88 88 GLY H H 1 8.494 0.00 . . . . . . . 88 GLY H . 50523 1 1015 . 1 . 1 88 88 GLY HA2 H 1 5.381 0.00 . . . . . . . 88 GLY HA2 . 50523 1 1016 . 1 . 1 88 88 GLY HA3 H 1 4.479 0.00 . . . . . . . 88 GLY HA3 . 50523 1 1017 . 1 . 1 88 88 GLY C C 13 176.970 0.00 . . . . . . . 88 GLY C . 50523 1 1018 . 1 . 1 88 88 GLY CA C 13 44.530 0.09 . . . . . . . 88 GLY CA . 50523 1 1019 . 1 . 1 88 88 GLY N N 15 109.886 0.06 . . . . . . . 88 GLY N . 50523 1 1020 . 1 . 1 90 90 LYS H H 1 8.864 0.00 . . . . . . . 90 LYS H . 50523 1 1021 . 1 . 1 90 90 LYS HA H 1 4.755 0.00 . . . . . . . 90 LYS HA . 50523 1 1022 . 1 . 1 90 90 LYS HB2 H 1 2.107 0.00 . . . . . . . 90 LYS HB . 50523 1 1023 . 1 . 1 90 90 LYS HB3 H 1 2.107 0.00 . . . . . . . 90 LYS HB . 50523 1 1024 . 1 . 1 90 90 LYS HG2 H 1 1.615 0.00 . . . . . . . 90 LYS HG2 . 50523 1 1025 . 1 . 1 90 90 LYS HG3 H 1 1.729 0.00 . . . . . . . 90 LYS HG3 . 50523 1 1026 . 1 . 1 90 90 LYS HE2 H 1 3.067 0.01 . . . . . . . 90 LYS HE . 50523 1 1027 . 1 . 1 90 90 LYS HE3 H 1 3.067 0.01 . . . . . . . 90 LYS HE . 50523 1 1028 . 1 . 1 90 90 LYS C C 13 176.914 0.00 . . . . . . . 90 LYS C . 50523 1 1029 . 1 . 1 90 90 LYS CA C 13 55.916 0.06 . . . . . . . 90 LYS CA . 50523 1 1030 . 1 . 1 90 90 LYS CB C 13 32.061 0.02 . . . . . . . 90 LYS CB . 50523 1 1031 . 1 . 1 90 90 LYS CG C 13 24.202 0.00 . . . . . . . 90 LYS CG . 50523 1 1032 . 1 . 1 90 90 LYS CD C 13 29.227 0.00 . . . . . . . 90 LYS CD . 50523 1 1033 . 1 . 1 90 90 LYS CE C 13 42.344 0.01 . . . . . . . 90 LYS CE . 50523 1 1034 . 1 . 1 90 90 LYS N N 15 118.644 0.06 . . . . . . . 90 LYS N . 50523 1 1035 . 1 . 1 91 91 THR H H 1 8.483 0.02 . . . . . . . 91 THR H . 50523 1 1036 . 1 . 1 91 91 THR HA H 1 5.102 0.00 . . . . . . . 91 THR HA . 50523 1 1037 . 1 . 1 91 91 THR HB H 1 4.319 0.00 . . . . . . . 91 THR HB . 50523 1 1038 . 1 . 1 91 91 THR HG21 H 1 1.268 0.00 . . . . . . . 91 THR HG2 . 50523 1 1039 . 1 . 1 91 91 THR HG22 H 1 1.268 0.00 . . . . . . . 91 THR HG2 . 50523 1 1040 . 1 . 1 91 91 THR HG23 H 1 1.268 0.00 . . . . . . . 91 THR HG2 . 50523 1 1041 . 1 . 1 91 91 THR C C 13 174.884 0.01 . . . . . . . 91 THR C . 50523 1 1042 . 1 . 1 91 91 THR CA C 13 62.058 0.08 . . . . . . . 91 THR CA . 50523 1 1043 . 1 . 1 91 91 THR CB C 13 68.743 0.14 . . . . . . . 91 THR CB . 50523 1 1044 . 1 . 1 91 91 THR CG2 C 13 23.517 0.00 . . . . . . . 91 THR CG2 . 50523 1 1045 . 1 . 1 91 91 THR N N 15 121.379 0.08 . . . . . . . 91 THR N . 50523 1 1046 . 1 . 1 92 92 LYS H H 1 9.341 0.01 . . . . . . . 92 LYS H . 50523 1 1047 . 1 . 1 92 92 LYS HA H 1 5.012 0.00 . . . . . . . 92 LYS HA . 50523 1 1048 . 1 . 1 92 92 LYS HB2 H 1 1.915 0.00 . . . . . . . 92 LYS HB2 . 50523 1 1049 . 1 . 1 92 92 LYS HB3 H 1 2.003 0.00 . . . . . . . 92 LYS HB3 . 50523 1 1050 . 1 . 1 92 92 LYS HG2 H 1 1.457 0.00 . . . . . . . 92 LYS HG . 50523 1 1051 . 1 . 1 92 92 LYS HG3 H 1 1.457 0.00 . . . . . . . 92 LYS HG . 50523 1 1052 . 1 . 1 92 92 LYS HD2 H 1 1.579 0.00 . . . . . . . 92 LYS HD . 50523 1 1053 . 1 . 1 92 92 LYS HD3 H 1 1.579 0.00 . . . . . . . 92 LYS HD . 50523 1 1054 . 1 . 1 92 92 LYS HE2 H 1 3.104 0.00 . . . . . . . 92 LYS HE . 50523 1 1055 . 1 . 1 92 92 LYS HE3 H 1 3.104 0.00 . . . . . . . 92 LYS HE . 50523 1 1056 . 1 . 1 92 92 LYS C C 13 175.599 0.00 . . . . . . . 92 LYS C . 50523 1 1057 . 1 . 1 92 92 LYS CA C 13 55.236 0.04 . . . . . . . 92 LYS CA . 50523 1 1058 . 1 . 1 92 92 LYS CB C 13 35.196 0.04 . . . . . . . 92 LYS CB . 50523 1 1059 . 1 . 1 92 92 LYS CG C 13 24.906 0.00 . . . . . . . 92 LYS CG . 50523 1 1060 . 1 . 1 92 92 LYS CD C 13 29.216 0.00 . . . . . . . 92 LYS CD . 50523 1 1061 . 1 . 1 92 92 LYS CE C 13 42.010 0.00 . . . . . . . 92 LYS CE . 50523 1 1062 . 1 . 1 92 92 LYS N N 15 128.566 0.06 . . . . . . . 92 LYS N . 50523 1 1063 . 1 . 1 93 93 ILE H H 1 8.638 0.01 . . . . . . . 93 ILE H . 50523 1 1064 . 1 . 1 93 93 ILE HA H 1 4.941 0.01 . . . . . . . 93 ILE HA . 50523 1 1065 . 1 . 1 93 93 ILE HB H 1 1.786 0.00 . . . . . . . 93 ILE HB . 50523 1 1066 . 1 . 1 93 93 ILE HG12 H 1 1.200 0.00 . . . . . . . 93 ILE HG12 . 50523 1 1067 . 1 . 1 93 93 ILE HG13 H 1 1.268 0.00 . . . . . . . 93 ILE HG13 . 50523 1 1068 . 1 . 1 93 93 ILE HG21 H 1 0.682 0.00 . . . . . . . 93 ILE HG2 . 50523 1 1069 . 1 . 1 93 93 ILE HG22 H 1 0.682 0.00 . . . . . . . 93 ILE HG2 . 50523 1 1070 . 1 . 1 93 93 ILE HG23 H 1 0.682 0.00 . . . . . . . 93 ILE HG2 . 50523 1 1071 . 1 . 1 93 93 ILE HD11 H 1 0.430 0.01 . . . . . . . 93 ILE HD1 . 50523 1 1072 . 1 . 1 93 93 ILE HD12 H 1 0.430 0.01 . . . . . . . 93 ILE HD1 . 50523 1 1073 . 1 . 1 93 93 ILE HD13 H 1 0.430 0.01 . . . . . . . 93 ILE HD1 . 50523 1 1074 . 1 . 1 93 93 ILE C C 13 175.340 0.01 . . . . . . . 93 ILE C . 50523 1 1075 . 1 . 1 93 93 ILE CA C 13 61.065 0.09 . . . . . . . 93 ILE CA . 50523 1 1076 . 1 . 1 93 93 ILE CB C 13 39.676 0.03 . . . . . . . 93 ILE CB . 50523 1 1077 . 1 . 1 93 93 ILE CG1 C 13 27.557 0.00 . . . . . . . 93 ILE CG1 . 50523 1 1078 . 1 . 1 93 93 ILE CG2 C 13 16.232 0.07 . . . . . . . 93 ILE CG2 . 50523 1 1079 . 1 . 1 93 93 ILE CD1 C 13 12.584 0.10 . . . . . . . 93 ILE CD1 . 50523 1 1080 . 1 . 1 93 93 ILE N N 15 123.434 0.03 . . . . . . . 93 ILE N . 50523 1 1081 . 1 . 1 94 94 ALA H H 1 8.843 0.01 . . . . . . . 94 ALA H . 50523 1 1082 . 1 . 1 94 94 ALA HA H 1 4.906 0.00 . . . . . . . 94 ALA HA . 50523 1 1083 . 1 . 1 94 94 ALA HB1 H 1 1.522 0.00 . . . . . . . 94 ALA HB . 50523 1 1084 . 1 . 1 94 94 ALA HB2 H 1 1.522 0.00 . . . . . . . 94 ALA HB . 50523 1 1085 . 1 . 1 94 94 ALA HB3 H 1 1.522 0.00 . . . . . . . 94 ALA HB . 50523 1 1086 . 1 . 1 94 94 ALA C C 13 176.739 0.02 . . . . . . . 94 ALA C . 50523 1 1087 . 1 . 1 94 94 ALA CA C 13 50.262 0.19 . . . . . . . 94 ALA CA . 50523 1 1088 . 1 . 1 94 94 ALA CB C 13 22.676 0.05 . . . . . . . 94 ALA CB . 50523 1 1089 . 1 . 1 94 94 ALA N N 15 130.035 0.03 . . . . . . . 94 ALA N . 50523 1 1090 . 1 . 1 95 95 GLU H H 1 8.799 0.00 . . . . . . . 95 GLU H . 50523 1 1091 . 1 . 1 95 95 GLU HA H 1 4.490 0.00 . . . . . . . 95 GLU HA . 50523 1 1092 . 1 . 1 95 95 GLU HB2 H 1 2.092 0.00 . . . . . . . 95 GLU HB2 . 50523 1 1093 . 1 . 1 95 95 GLU HB3 H 1 2.193 0.00 . . . . . . . 95 GLU HB3 . 50523 1 1094 . 1 . 1 95 95 GLU HG2 H 1 2.529 0.00 . . . . . . . 95 GLU HG2 . 50523 1 1095 . 1 . 1 95 95 GLU HG3 H 1 2.444 0.00 . . . . . . . 95 GLU HG3 . 50523 1 1096 . 1 . 1 95 95 GLU C C 13 176.297 0.01 . . . . . . . 95 GLU C . 50523 1 1097 . 1 . 1 95 95 GLU CA C 13 57.809 0.02 . . . . . . . 95 GLU CA . 50523 1 1098 . 1 . 1 95 95 GLU CB C 13 30.117 0.11 . . . . . . . 95 GLU CB . 50523 1 1099 . 1 . 1 95 95 GLU CG C 13 36.639 0.00 . . . . . . . 95 GLU CG . 50523 1 1100 . 1 . 1 95 95 GLU N N 15 121.713 0.06 . . . . . . . 95 GLU N . 50523 1 1101 . 1 . 1 96 96 ALA H H 1 8.669 0.01 . . . . . . . 96 ALA H . 50523 1 1102 . 1 . 1 96 96 ALA HA H 1 4.766 0.00 . . . . . . . 96 ALA HA . 50523 1 1103 . 1 . 1 96 96 ALA HB1 H 1 1.288 0.00 . . . . . . . 96 ALA HB . 50523 1 1104 . 1 . 1 96 96 ALA HB2 H 1 1.288 0.00 . . . . . . . 96 ALA HB . 50523 1 1105 . 1 . 1 96 96 ALA HB3 H 1 1.288 0.00 . . . . . . . 96 ALA HB . 50523 1 1106 . 1 . 1 96 96 ALA C C 13 176.779 0.00 . . . . . . . 96 ALA C . 50523 1 1107 . 1 . 1 96 96 ALA CA C 13 50.051 0.12 . . . . . . . 96 ALA CA . 50523 1 1108 . 1 . 1 96 96 ALA CB C 13 21.677 0.05 . . . . . . . 96 ALA CB . 50523 1 1109 . 1 . 1 96 96 ALA N N 15 128.447 0.04 . . . . . . . 96 ALA N . 50523 1 1110 . 1 . 1 97 97 SER H H 1 8.291 0.01 . . . . . . . 97 SER H . 50523 1 1111 . 1 . 1 97 97 SER HA H 1 4.497 0.01 . . . . . . . 97 SER HA . 50523 1 1112 . 1 . 1 97 97 SER HB2 H 1 3.974 0.00 . . . . . . . 97 SER HB2 . 50523 1 1113 . 1 . 1 97 97 SER HB3 H 1 4.054 0.00 . . . . . . . 97 SER HB3 . 50523 1 1114 . 1 . 1 97 97 SER C C 13 175.707 0.01 . . . . . . . 97 SER C . 50523 1 1115 . 1 . 1 97 97 SER CA C 13 58.227 0.10 . . . . . . . 97 SER CA . 50523 1 1116 . 1 . 1 97 97 SER CB C 13 63.500 0.07 . . . . . . . 97 SER CB . 50523 1 1117 . 1 . 1 97 97 SER N N 15 114.261 0.06 . . . . . . . 97 SER N . 50523 1 1118 . 1 . 1 98 98 GLU H H 1 8.537 0.01 . . . . . . . 98 GLU H . 50523 1 1119 . 1 . 1 98 98 GLU HA H 1 4.446 0.00 . . . . . . . 98 GLU HA . 50523 1 1120 . 1 . 1 98 98 GLU HB2 H 1 2.198 0.01 . . . . . . . 98 GLU HB2 . 50523 1 1121 . 1 . 1 98 98 GLU HB3 H 1 2.293 0.00 . . . . . . . 98 GLU HB3 . 50523 1 1122 . 1 . 1 98 98 GLU HG2 H 1 2.464 0.00 . . . . . . . 98 GLU HG . 50523 1 1123 . 1 . 1 98 98 GLU HG3 H 1 2.464 0.00 . . . . . . . 98 GLU HG . 50523 1 1124 . 1 . 1 98 98 GLU C C 13 177.518 0.01 . . . . . . . 98 GLU C . 50523 1 1125 . 1 . 1 98 98 GLU CA C 13 56.326 0.02 . . . . . . . 98 GLU CA . 50523 1 1126 . 1 . 1 98 98 GLU CB C 13 30.410 0.05 . . . . . . . 98 GLU CB . 50523 1 1127 . 1 . 1 98 98 GLU CG C 13 35.527 0.01 . . . . . . . 98 GLU CG . 50523 1 1128 . 1 . 1 98 98 GLU N N 15 123.439 0.06 . . . . . . . 98 GLU N . 50523 1 1129 . 1 . 1 99 99 ASP H H 1 8.350 0.01 . . . . . . . 99 ASP H . 50523 1 1130 . 1 . 1 99 99 ASP HA H 1 4.601 0.01 . . . . . . . 99 ASP HA . 50523 1 1131 . 1 . 1 99 99 ASP HB2 H 1 2.736 0.00 . . . . . . . 99 ASP HB2 . 50523 1 1132 . 1 . 1 99 99 ASP HB3 H 1 2.782 0.00 . . . . . . . 99 ASP HB3 . 50523 1 1133 . 1 . 1 99 99 ASP C C 13 178.106 0.01 . . . . . . . 99 ASP C . 50523 1 1134 . 1 . 1 99 99 ASP CA C 13 55.580 0.08 . . . . . . . 99 ASP CA . 50523 1 1135 . 1 . 1 99 99 ASP CB C 13 40.708 0.06 . . . . . . . 99 ASP CB . 50523 1 1136 . 1 . 1 99 99 ASP N N 15 122.233 0.04 . . . . . . . 99 ASP N . 50523 1 1137 . 1 . 1 100 100 GLY H H 1 8.924 0.01 . . . . . . . 100 GLY H . 50523 1 1138 . 1 . 1 100 100 GLY HA2 H 1 4.177 0.00 . . . . . . . 100 GLY HA2 . 50523 1 1139 . 1 . 1 100 100 GLY HA3 H 1 3.932 0.00 . . . . . . . 100 GLY HA3 . 50523 1 1140 . 1 . 1 100 100 GLY C C 13 174.354 0.01 . . . . . . . 100 GLY C . 50523 1 1141 . 1 . 1 100 100 GLY CA C 13 45.641 0.08 . . . . . . . 100 GLY CA . 50523 1 1142 . 1 . 1 100 100 GLY N N 15 112.899 0.06 . . . . . . . 100 GLY N . 50523 1 1143 . 1 . 1 101 101 PHE H H 1 8.196 0.01 . . . . . . . 101 PHE H . 50523 1 1144 . 1 . 1 101 101 PHE C C 13 175.161 0.00 . . . . . . . 101 PHE C . 50523 1 1145 . 1 . 1 101 101 PHE CA C 13 57.349 0.00 . . . . . . . 101 PHE CA . 50523 1 1146 . 1 . 1 101 101 PHE CB C 13 41.189 0.00 . . . . . . . 101 PHE CB . 50523 1 1147 . 1 . 1 101 101 PHE N N 15 125.452 0.10 . . . . . . . 101 PHE N . 50523 1 1148 . 1 . 1 102 102 PRO HA H 1 4.372 0.01 . . . . . . . 102 PRO HA . 50523 1 1149 . 1 . 1 102 102 PRO HB2 H 1 1.771 0.05 . . . . . . . 102 PRO HB . 50523 1 1150 . 1 . 1 102 102 PRO HB3 H 1 1.771 0.05 . . . . . . . 102 PRO HB . 50523 1 1151 . 1 . 1 102 102 PRO HD2 H 1 3.717 0.00 . . . . . . . 102 PRO HD . 50523 1 1152 . 1 . 1 102 102 PRO HD3 H 1 3.717 0.00 . . . . . . . 102 PRO HD . 50523 1 1153 . 1 . 1 102 102 PRO C C 13 177.760 0.01 . . . . . . . 102 PRO C . 50523 1 1154 . 1 . 1 102 102 PRO CA C 13 63.569 0.05 . . . . . . . 102 PRO CA . 50523 1 1155 . 1 . 1 102 102 PRO CB C 13 31.660 0.16 . . . . . . . 102 PRO CB . 50523 1 1156 . 1 . 1 102 102 PRO CG C 13 27.364 0.00 . . . . . . . 102 PRO CG . 50523 1 1157 . 1 . 1 102 102 PRO CD C 13 49.892 0.00 . . . . . . . 102 PRO CD . 50523 1 1158 . 1 . 1 103 103 GLU H H 1 8.604 0.01 . . . . . . . 103 GLU H . 50523 1 1159 . 1 . 1 103 103 GLU HA H 1 4.428 0.00 . . . . . . . 103 GLU HA . 50523 1 1160 . 1 . 1 103 103 GLU HB2 H 1 2.470 0.00 . . . . . . . 103 GLU HB2 . 50523 1 1161 . 1 . 1 103 103 GLU HB3 H 1 2.020 0.00 . . . . . . . 103 GLU HB3 . 50523 1 1162 . 1 . 1 103 103 GLU HG2 H 1 2.585 0.00 . . . . . . . 103 GLU HG . 50523 1 1163 . 1 . 1 103 103 GLU HG3 H 1 2.585 0.00 . . . . . . . 103 GLU HG . 50523 1 1164 . 1 . 1 103 103 GLU C C 13 178.417 0.01 . . . . . . . 103 GLU C . 50523 1 1165 . 1 . 1 103 103 GLU CA C 13 55.679 0.04 . . . . . . . 103 GLU CA . 50523 1 1166 . 1 . 1 103 103 GLU CB C 13 31.103 0.07 . . . . . . . 103 GLU CB . 50523 1 1167 . 1 . 1 103 103 GLU CG C 13 36.107 0.00 . . . . . . . 103 GLU CG . 50523 1 1168 . 1 . 1 103 103 GLU N N 15 122.993 0.06 . . . . . . . 103 GLU N . 50523 1 1169 . 1 . 1 104 104 SER H H 1 9.411 0.01 . . . . . . . 104 SER H . 50523 1 1170 . 1 . 1 104 104 SER HA H 1 4.064 0.00 . . . . . . . 104 SER HA . 50523 1 1171 . 1 . 1 104 104 SER HB2 H 1 4.064 0.00 . . . . . . . 104 SER HB . 50523 1 1172 . 1 . 1 104 104 SER HB3 H 1 4.064 0.00 . . . . . . . 104 SER HB . 50523 1 1173 . 1 . 1 104 104 SER C C 13 177.007 0.00 . . . . . . . 104 SER C . 50523 1 1174 . 1 . 1 104 104 SER CA C 13 62.522 0.06 . . . . . . . 104 SER CA . 50523 1 1175 . 1 . 1 104 104 SER CB C 13 62.522 0.06 . . . . . . . 104 SER CB . 50523 1 1176 . 1 . 1 104 104 SER N N 15 116.465 0.04 . . . . . . . 104 SER N . 50523 1 1177 . 1 . 1 105 105 SER H H 1 8.078 0.01 . . . . . . . 105 SER H . 50523 1 1178 . 1 . 1 105 105 SER HA H 1 4.410 0.03 . . . . . . . 105 SER HA . 50523 1 1179 . 1 . 1 105 105 SER HB2 H 1 4.066 0.02 . . . . . . . 105 SER HB . 50523 1 1180 . 1 . 1 105 105 SER HB3 H 1 4.066 0.02 . . . . . . . 105 SER HB . 50523 1 1181 . 1 . 1 105 105 SER C C 13 175.444 0.49 . . . . . . . 105 SER C . 50523 1 1182 . 1 . 1 105 105 SER CA C 13 60.031 0.06 . . . . . . . 105 SER CA . 50523 1 1183 . 1 . 1 105 105 SER CB C 13 62.789 0.06 . . . . . . . 105 SER CB . 50523 1 1184 . 1 . 1 105 105 SER N N 15 113.286 0.05 . . . . . . . 105 SER N . 50523 1 1185 . 1 . 1 106 106 GLN H H 1 8.106 0.01 . . . . . . . 106 GLN H . 50523 1 1186 . 1 . 1 106 106 GLN HA H 1 4.507 0.00 . . . . . . . 106 GLN HA . 50523 1 1187 . 1 . 1 106 106 GLN HB2 H 1 2.187 0.00 . . . . . . . 106 GLN HB2 . 50523 1 1188 . 1 . 1 106 106 GLN HB3 H 1 2.448 0.00 . . . . . . . 106 GLN HB3 . 50523 1 1189 . 1 . 1 106 106 GLN HG2 H 1 2.357 0.00 . . . . . . . 106 GLN HG . 50523 1 1190 . 1 . 1 106 106 GLN HG3 H 1 2.357 0.00 . . . . . . . 106 GLN HG . 50523 1 1191 . 1 . 1 106 106 GLN C C 13 175.870 0.15 . . . . . . . 106 GLN C . 50523 1 1192 . 1 . 1 106 106 GLN CA C 13 55.147 0.06 . . . . . . . 106 GLN CA . 50523 1 1193 . 1 . 1 106 106 GLN CB C 13 30.157 0.07 . . . . . . . 106 GLN CB . 50523 1 1194 . 1 . 1 106 106 GLN CG C 13 34.450 0.00 . . . . . . . 106 GLN CG . 50523 1 1195 . 1 . 1 106 106 GLN N N 15 119.916 0.15 . . . . . . . 106 GLN N . 50523 1 1196 . 1 . 1 107 107 ILE H H 1 7.274 0.01 . . . . . . . 107 ILE H . 50523 1 1197 . 1 . 1 107 107 ILE HA H 1 4.549 0.00 . . . . . . . 107 ILE HA . 50523 1 1198 . 1 . 1 107 107 ILE C C 13 175.698 0.00 . . . . . . . 107 ILE C . 50523 1 1199 . 1 . 1 107 107 ILE CA C 13 57.991 0.00 . . . . . . . 107 ILE CA . 50523 1 1200 . 1 . 1 107 107 ILE CB C 13 37.908 0.00 . . . . . . . 107 ILE CB . 50523 1 1201 . 1 . 1 107 107 ILE N N 15 123.568 0.05 . . . . . . . 107 ILE N . 50523 1 1202 . 1 . 1 108 108 PRO HA H 1 4.654 0.01 . . . . . . . 108 PRO HA . 50523 1 1203 . 1 . 1 108 108 PRO HB2 H 1 2.154 0.01 . . . . . . . 108 PRO HB2 . 50523 1 1204 . 1 . 1 108 108 PRO HB3 H 1 2.516 0.01 . . . . . . . 108 PRO HB3 . 50523 1 1205 . 1 . 1 108 108 PRO HG3 H 1 1.864 0.00 . . . . . . . 108 PRO HG3 . 50523 1 1206 . 1 . 1 108 108 PRO HD2 H 1 4.101 0.01 . . . . . . . 108 PRO HD . 50523 1 1207 . 1 . 1 108 108 PRO HD3 H 1 4.101 0.01 . . . . . . . 108 PRO HD . 50523 1 1208 . 1 . 1 108 108 PRO C C 13 177.835 0.00 . . . . . . . 108 PRO C . 50523 1 1209 . 1 . 1 108 108 PRO CA C 13 63.172 0.07 . . . . . . . 108 PRO CA . 50523 1 1210 . 1 . 1 108 108 PRO CB C 13 32.966 0.05 . . . . . . . 108 PRO CB . 50523 1 1211 . 1 . 1 108 108 PRO CG C 13 22.520 0.06 . . . . . . . 108 PRO CG . 50523 1 1212 . 1 . 1 108 108 PRO CD C 13 51.513 0.06 . . . . . . . 108 PRO CD . 50523 1 1213 . 1 . 1 109 109 GLU H H 1 8.813 0.01 . . . . . . . 109 GLU H . 50523 1 1214 . 1 . 1 109 109 GLU HA H 1 4.059 0.00 . . . . . . . 109 GLU HA . 50523 1 1215 . 1 . 1 109 109 GLU HB2 H 1 2.274 0.00 . . . . . . . 109 GLU HB2 . 50523 1 1216 . 1 . 1 109 109 GLU HB3 H 1 2.009 0.00 . . . . . . . 109 GLU HB3 . 50523 1 1217 . 1 . 1 109 109 GLU HG2 H 1 2.442 0.00 . . . . . . . 109 GLU HG . 50523 1 1218 . 1 . 1 109 109 GLU HG3 H 1 2.442 0.00 . . . . . . . 109 GLU HG . 50523 1 1219 . 1 . 1 109 109 GLU C C 13 176.428 0.00 . . . . . . . 109 GLU C . 50523 1 1220 . 1 . 1 109 109 GLU CA C 13 57.087 0.06 . . . . . . . 109 GLU CA . 50523 1 1221 . 1 . 1 109 109 GLU CB C 13 29.661 0.03 . . . . . . . 109 GLU CB . 50523 1 1222 . 1 . 1 109 109 GLU CG C 13 36.501 0.00 . . . . . . . 109 GLU CG . 50523 1 1223 . 1 . 1 109 109 GLU N N 15 119.279 0.12 . . . . . . . 109 GLU N . 50523 1 1224 . 1 . 1 110 110 ASN H H 1 7.885 0.00 . . . . . . . 110 ASN H . 50523 1 1225 . 1 . 1 110 110 ASN HA H 1 4.775 0.01 . . . . . . . 110 ASN HA . 50523 1 1226 . 1 . 1 110 110 ASN HB2 H 1 2.873 0.00 . . . . . . . 110 ASN HB . 50523 1 1227 . 1 . 1 110 110 ASN HB3 H 1 2.873 0.00 . . . . . . . 110 ASN HB . 50523 1 1228 . 1 . 1 110 110 ASN C C 13 173.811 0.00 . . . . . . . 110 ASN C . 50523 1 1229 . 1 . 1 110 110 ASN CA C 13 54.069 0.20 . . . . . . . 110 ASN CA . 50523 1 1230 . 1 . 1 110 110 ASN CB C 13 39.645 0.06 . . . . . . . 110 ASN CB . 50523 1 1231 . 1 . 1 110 110 ASN N N 15 116.421 0.05 . . . . . . . 110 ASN N . 50523 1 1232 . 1 . 1 111 111 THR H H 1 8.177 0.01 . . . . . . . 111 THR H . 50523 1 1233 . 1 . 1 111 111 THR HA H 1 5.829 0.01 . . . . . . . 111 THR HA . 50523 1 1234 . 1 . 1 111 111 THR HB H 1 4.259 0.00 . . . . . . . 111 THR HB . 50523 1 1235 . 1 . 1 111 111 THR HG21 H 1 1.520 0.00 . . . . . . . 111 THR HG2 . 50523 1 1236 . 1 . 1 111 111 THR HG22 H 1 1.520 0.00 . . . . . . . 111 THR HG2 . 50523 1 1237 . 1 . 1 111 111 THR HG23 H 1 1.520 0.00 . . . . . . . 111 THR HG2 . 50523 1 1238 . 1 . 1 111 111 THR C C 13 173.929 0.00 . . . . . . . 111 THR C . 50523 1 1239 . 1 . 1 111 111 THR CA C 13 58.013 0.02 . . . . . . . 111 THR CA . 50523 1 1240 . 1 . 1 111 111 THR CB C 13 72.098 0.02 . . . . . . . 111 THR CB . 50523 1 1241 . 1 . 1 111 111 THR N N 15 116.958 0.05 . . . . . . . 111 THR N . 50523 1 1242 . 1 . 1 112 112 PRO HA H 1 4.789 0.00 . . . . . . . 112 PRO HA . 50523 1 1243 . 1 . 1 112 112 PRO HB2 H 1 2.477 0.00 . . . . . . . 112 PRO HB2 . 50523 1 1244 . 1 . 1 112 112 PRO HB3 H 1 2.080 0.00 . . . . . . . 112 PRO HB3 . 50523 1 1245 . 1 . 1 112 112 PRO HG2 H 1 2.290 0.02 . . . . . . . 112 PRO HG . 50523 1 1246 . 1 . 1 112 112 PRO HG3 H 1 2.290 0.02 . . . . . . . 112 PRO HG . 50523 1 1247 . 1 . 1 112 112 PRO HD2 H 1 3.644 0.00 . . . . . . . 112 PRO HD . 50523 1 1248 . 1 . 1 112 112 PRO HD3 H 1 3.644 0.00 . . . . . . . 112 PRO HD . 50523 1 1249 . 1 . 1 112 112 PRO C C 13 177.392 0.01 . . . . . . . 112 PRO C . 50523 1 1250 . 1 . 1 112 112 PRO CA C 13 62.851 0.06 . . . . . . . 112 PRO CA . 50523 1 1251 . 1 . 1 112 112 PRO CB C 13 31.839 0.05 . . . . . . . 112 PRO CB . 50523 1 1252 . 1 . 1 112 112 PRO CG C 13 27.496 0.00 . . . . . . . 112 PRO CG . 50523 1 1253 . 1 . 1 112 112 PRO CD C 13 51.097 0.07 . . . . . . . 112 PRO CD . 50523 1 1254 . 1 . 1 113 113 THR H H 1 8.411 0.01 . . . . . . . 113 THR H . 50523 1 1255 . 1 . 1 113 113 THR HA H 1 4.890 0.00 . . . . . . . 113 THR HA . 50523 1 1256 . 1 . 1 113 113 THR HB H 1 4.264 0.00 . . . . . . . 113 THR HB . 50523 1 1257 . 1 . 1 113 113 THR HG21 H 1 1.452 0.00 . . . . . . . 113 THR HG2 . 50523 1 1258 . 1 . 1 113 113 THR HG22 H 1 1.452 0.00 . . . . . . . 113 THR HG2 . 50523 1 1259 . 1 . 1 113 113 THR HG23 H 1 1.452 0.00 . . . . . . . 113 THR HG2 . 50523 1 1260 . 1 . 1 113 113 THR C C 13 174.792 0.00 . . . . . . . 113 THR C . 50523 1 1261 . 1 . 1 113 113 THR CA C 13 60.938 0.06 . . . . . . . 113 THR CA . 50523 1 1262 . 1 . 1 113 113 THR CB C 13 71.360 0.28 . . . . . . . 113 THR CB . 50523 1 1263 . 1 . 1 113 113 THR CG2 C 13 21.505 0.03 . . . . . . . 113 THR CG2 . 50523 1 1264 . 1 . 1 113 113 THR N N 15 114.688 0.07 . . . . . . . 113 THR N . 50523 1 1265 . 1 . 1 114 114 ALA H H 1 8.425 0.00 . . . . . . . 114 ALA H . 50523 1 1266 . 1 . 1 114 114 ALA HA H 1 4.425 0.00 . . . . . . . 114 ALA HA . 50523 1 1267 . 1 . 1 114 114 ALA HB1 H 1 1.326 0.00 . . . . . . . 114 ALA HB . 50523 1 1268 . 1 . 1 114 114 ALA HB2 H 1 1.326 0.00 . . . . . . . 114 ALA HB . 50523 1 1269 . 1 . 1 114 114 ALA HB3 H 1 1.326 0.00 . . . . . . . 114 ALA HB . 50523 1 1270 . 1 . 1 114 114 ALA C C 13 177.313 0.00 . . . . . . . 114 ALA C . 50523 1 1271 . 1 . 1 114 114 ALA CA C 13 51.610 0.17 . . . . . . . 114 ALA CA . 50523 1 1272 . 1 . 1 114 114 ALA CB C 13 19.756 0.05 . . . . . . . 114 ALA CB . 50523 1 1273 . 1 . 1 114 114 ALA N N 15 124.593 0.10 . . . . . . . 114 ALA N . 50523 1 1274 . 1 . 1 115 115 GLU H H 1 8.448 0.02 . . . . . . . 115 GLU H . 50523 1 1275 . 1 . 1 115 115 GLU HA H 1 4.397 0.00 . . . . . . . 115 GLU HA . 50523 1 1276 . 1 . 1 115 115 GLU HB2 H 1 1.765 0.00 . . . . . . . 115 GLU HB2 . 50523 1 1277 . 1 . 1 115 115 GLU HB3 H 1 2.127 0.00 . . . . . . . 115 GLU HB3 . 50523 1 1278 . 1 . 1 115 115 GLU HG2 H 1 2.393 0.00 . . . . . . . 115 GLU HG . 50523 1 1279 . 1 . 1 115 115 GLU HG3 H 1 2.393 0.00 . . . . . . . 115 GLU HG . 50523 1 1280 . 1 . 1 115 115 GLU C C 13 176.868 0.00 . . . . . . . 115 GLU C . 50523 1 1281 . 1 . 1 115 115 GLU CA C 13 56.737 0.06 . . . . . . . 115 GLU CA . 50523 1 1282 . 1 . 1 115 115 GLU CB C 13 30.558 0.12 . . . . . . . 115 GLU CB . 50523 1 1283 . 1 . 1 115 115 GLU CG C 13 36.188 0.01 . . . . . . . 115 GLU CG . 50523 1 1284 . 1 . 1 115 115 GLU N N 15 119.974 0.23 . . . . . . . 115 GLU N . 50523 1 1285 . 1 . 1 116 116 ASN H H 1 8.539 0.01 . . . . . . . 116 ASN H . 50523 1 1286 . 1 . 1 116 116 ASN HA H 1 4.764 0.00 . . . . . . . 116 ASN HA . 50523 1 1287 . 1 . 1 116 116 ASN HB2 H 1 2.860 0.01 . . . . . . . 116 ASN HB2 . 50523 1 1288 . 1 . 1 116 116 ASN HB3 H 1 2.925 0.00 . . . . . . . 116 ASN HB3 . 50523 1 1289 . 1 . 1 116 116 ASN C C 13 175.864 0.01 . . . . . . . 116 ASN C . 50523 1 1290 . 1 . 1 116 116 ASN CA C 13 53.623 0.10 . . . . . . . 116 ASN CA . 50523 1 1291 . 1 . 1 116 116 ASN CB C 13 38.702 0.06 . . . . . . . 116 ASN CB . 50523 1 1292 . 1 . 1 116 116 ASN N N 15 119.390 0.05 . . . . . . . 116 ASN N . 50523 1 1293 . 1 . 1 117 117 LEU H H 1 8.133 0.01 . . . . . . . 117 LEU H . 50523 1 1294 . 1 . 1 117 117 LEU HA H 1 4.340 0.00 . . . . . . . 117 LEU HA . 50523 1 1295 . 1 . 1 117 117 LEU HB2 H 1 1.480 0.00 . . . . . . . 117 LEU HB2 . 50523 1 1296 . 1 . 1 117 117 LEU HB3 H 1 1.586 0.00 . . . . . . . 117 LEU HB3 . 50523 1 1297 . 1 . 1 117 117 LEU HG H 1 1.148 0.00 . . . . . . . 117 LEU HG . 50523 1 1298 . 1 . 1 117 117 LEU HD11 H 1 0.965 0.01 . . . . . . . 117 LEU HD1 . 50523 1 1299 . 1 . 1 117 117 LEU HD12 H 1 0.965 0.01 . . . . . . . 117 LEU HD1 . 50523 1 1300 . 1 . 1 117 117 LEU HD13 H 1 0.965 0.01 . . . . . . . 117 LEU HD1 . 50523 1 1301 . 1 . 1 117 117 LEU HD21 H 1 0.764 0.00 . . . . . . . 117 LEU HD2 . 50523 1 1302 . 1 . 1 117 117 LEU HD22 H 1 0.764 0.00 . . . . . . . 117 LEU HD2 . 50523 1 1303 . 1 . 1 117 117 LEU HD23 H 1 0.764 0.00 . . . . . . . 117 LEU HD2 . 50523 1 1304 . 1 . 1 117 117 LEU C C 13 177.738 0.01 . . . . . . . 117 LEU C . 50523 1 1305 . 1 . 1 117 117 LEU CA C 13 55.490 0.03 . . . . . . . 117 LEU CA . 50523 1 1306 . 1 . 1 117 117 LEU CB C 13 42.307 0.06 . . . . . . . 117 LEU CB . 50523 1 1307 . 1 . 1 117 117 LEU CG C 13 26.966 0.11 . . . . . . . 117 LEU CG . 50523 1 1308 . 1 . 1 117 117 LEU CD1 C 13 24.792 0.05 . . . . . . . 117 LEU CD1 . 50523 1 1309 . 1 . 1 117 117 LEU CD2 C 13 23.586 0.00 . . . . . . . 117 LEU CD2 . 50523 1 1310 . 1 . 1 117 117 LEU N N 15 122.059 0.05 . . . . . . . 117 LEU N . 50523 1 1311 . 1 . 1 118 118 TYR H H 1 8.060 0.01 . . . . . . . 118 TYR H . 50523 1 1312 . 1 . 1 118 118 TYR HA H 1 4.608 0.00 . . . . . . . 118 TYR HA . 50523 1 1313 . 1 . 1 118 118 TYR HB2 H 1 2.989 0.00 . . . . . . . 118 TYR HB2 . 50523 1 1314 . 1 . 1 118 118 TYR HB3 H 1 3.091 0.00 . . . . . . . 118 TYR HB3 . 50523 1 1315 . 1 . 1 118 118 TYR C C 13 176.374 0.00 . . . . . . . 118 TYR C . 50523 1 1316 . 1 . 1 118 118 TYR CA C 13 58.062 0.14 . . . . . . . 118 TYR CA . 50523 1 1317 . 1 . 1 118 118 TYR CB C 13 38.532 0.02 . . . . . . . 118 TYR CB . 50523 1 1318 . 1 . 1 118 118 TYR N N 15 119.509 0.07 . . . . . . . 118 TYR N . 50523 1 1319 . 1 . 1 119 119 PHE H H 1 8.010 0.01 . . . . . . . 119 PHE H . 50523 1 1320 . 1 . 1 119 119 PHE HA H 1 4.698 0.00 . . . . . . . 119 PHE HA . 50523 1 1321 . 1 . 1 119 119 PHE HB2 H 1 3.129 0.00 . . . . . . . 119 PHE HB2 . 50523 1 1322 . 1 . 1 119 119 PHE HB3 H 1 3.221 0.00 . . . . . . . 119 PHE HB3 . 50523 1 1323 . 1 . 1 119 119 PHE C C 13 176.275 0.01 . . . . . . . 119 PHE C . 50523 1 1324 . 1 . 1 119 119 PHE CA C 13 57.567 0.15 . . . . . . . 119 PHE CA . 50523 1 1325 . 1 . 1 119 119 PHE CB C 13 39.392 0.03 . . . . . . . 119 PHE CB . 50523 1 1326 . 1 . 1 119 119 PHE N N 15 120.834 0.05 . . . . . . . 119 PHE N . 50523 1 1327 . 1 . 1 120 120 GLN H H 1 8.253 0.01 . . . . . . . 120 GLN H . 50523 1 1328 . 1 . 1 120 120 GLN HA H 1 4.441 0.00 . . . . . . . 120 GLN HA . 50523 1 1329 . 1 . 1 120 120 GLN HB2 H 1 2.119 0.00 . . . . . . . 120 GLN HB2 . 50523 1 1330 . 1 . 1 120 120 GLN HB3 H 1 2.210 0.00 . . . . . . . 120 GLN HB3 . 50523 1 1331 . 1 . 1 120 120 GLN HG2 H 1 2.427 0.00 . . . . . . . 120 GLN HG . 50523 1 1332 . 1 . 1 120 120 GLN HG3 H 1 2.427 0.00 . . . . . . . 120 GLN HG . 50523 1 1333 . 1 . 1 120 120 GLN C C 13 176.611 0.02 . . . . . . . 120 GLN C . 50523 1 1334 . 1 . 1 120 120 GLN CA C 13 55.909 0.03 . . . . . . . 120 GLN CA . 50523 1 1335 . 1 . 1 120 120 GLN CB C 13 29.514 0.16 . . . . . . . 120 GLN CB . 50523 1 1336 . 1 . 1 120 120 GLN CG C 13 33.690 0.05 . . . . . . . 120 GLN CG . 50523 1 1337 . 1 . 1 120 120 GLN N N 15 121.630 0.05 . . . . . . . 120 GLN N . 50523 1 1338 . 1 . 1 121 121 SER H H 1 8.350 0.01 . . . . . . . 121 SER H . 50523 1 1339 . 1 . 1 121 121 SER HA H 1 4.544 0.00 . . . . . . . 121 SER HA . 50523 1 1340 . 1 . 1 121 121 SER HB2 H 1 4.044 0.00 . . . . . . . 121 SER HB2 . 50523 1 1341 . 1 . 1 121 121 SER HB3 H 1 4.006 0.00 . . . . . . . 121 SER HB3 . 50523 1 1342 . 1 . 1 121 121 SER C C 13 177.104 0.00 . . . . . . . 121 SER C . 50523 1 1343 . 1 . 1 121 121 SER CA C 13 58.659 0.18 . . . . . . . 121 SER CA . 50523 1 1344 . 1 . 1 121 121 SER CB C 13 63.950 0.07 . . . . . . . 121 SER CB . 50523 1 1345 . 1 . 1 121 121 SER N N 15 116.723 0.18 . . . . . . . 121 SER N . 50523 1 1346 . 1 . 1 122 122 GLY H H 1 8.505 0.00 . . . . . . . 122 GLY H . 50523 1 1347 . 1 . 1 122 122 GLY HA2 H 1 4.125 0.01 . . . . . . . 122 GLY HA . 50523 1 1348 . 1 . 1 122 122 GLY HA3 H 1 4.125 0.01 . . . . . . . 122 GLY HA . 50523 1 1349 . 1 . 1 122 122 GLY C C 13 175.070 0.01 . . . . . . . 122 GLY C . 50523 1 1350 . 1 . 1 122 122 GLY CA C 13 45.455 0.05 . . . . . . . 122 GLY CA . 50523 1 1351 . 1 . 1 122 122 GLY N N 15 110.807 0.06 . . . . . . . 122 GLY N . 50523 1 1352 . 1 . 1 123 123 SER H H 1 8.221 0.01 . . . . . . . 123 SER H . 50523 1 1353 . 1 . 1 123 123 SER CA C 13 58.593 0.00 . . . . . . . 123 SER CA . 50523 1 1354 . 1 . 1 123 123 SER CB C 13 63.703 0.00 . . . . . . . 123 SER CB . 50523 1 1355 . 1 . 1 123 123 SER N N 15 115.310 0.07 . . . . . . . 123 SER N . 50523 1 stop_ save_