data_52417 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52417 _Entry.Title ; B2_3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-04-19 _Entry.Accession_date 2024-04-19 _Entry.Last_release_date 2024-04-20 _Entry.Original_release_date 2024-04-20 _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 ; The 1H,15N,13C resonance assignments of a Variable New Antigen Receptor (VNAR) derived from shark, a type of single domain antibody, which recognizes the hyaluronan synthase. ; _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 Yunchen Bi . . . . 52417 2 Yujie Wu . . . . 52417 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52417 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 52417 '15N chemical shifts' 97 52417 '1H chemical shifts' 474 52417 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-06-26 . original BMRB . 52417 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52417 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments of a variable domain of shark new antigen receptor against hyaluronan synthase ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuxin Liu . . . . 52417 1 2 Yujie Wu . . . . 52417 1 3 Yunchen Bi . . . . 52417 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52417 _Assembly.ID 1 _Assembly.Name 'A type of single domain antibody' _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 'A type of single domain antibody' 1 $entity_1 . . no native no no . . . 52417 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52417 _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 ; MAERVEQTPTTTTKEAGESL TVNCVLKGSSCALGNTYWYF TKKGATKKASLSTGGRYSDT KNTASKSFSLRISDLRVEDS GTYHCEAYTCAGGTPWRHYI EGGGTILTVK ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . 52417 1 2 . ALA . 52417 1 3 . GLU . 52417 1 4 . ARG . 52417 1 5 . VAL . 52417 1 6 . GLU . 52417 1 7 . GLN . 52417 1 8 . THR . 52417 1 9 . PRO . 52417 1 10 . THR . 52417 1 11 . THR . 52417 1 12 . THR . 52417 1 13 . THR . 52417 1 14 . LYS . 52417 1 15 . GLU . 52417 1 16 . ALA . 52417 1 17 . GLY . 52417 1 18 . GLU . 52417 1 19 . SER . 52417 1 20 . LEU . 52417 1 21 . THR . 52417 1 22 . VAL . 52417 1 23 . ASN . 52417 1 24 . CYS . 52417 1 25 . VAL . 52417 1 26 . LEU . 52417 1 27 . LYS . 52417 1 28 . GLY . 52417 1 29 . SER . 52417 1 30 . SER . 52417 1 31 . CYS . 52417 1 32 . ALA . 52417 1 33 . LEU . 52417 1 34 . GLY . 52417 1 35 . ASN . 52417 1 36 . THR . 52417 1 37 . TYR . 52417 1 38 . TRP . 52417 1 39 . TYR . 52417 1 40 . PHE . 52417 1 41 . THR . 52417 1 42 . LYS . 52417 1 43 . LYS . 52417 1 44 . GLY . 52417 1 45 . ALA . 52417 1 46 . THR . 52417 1 47 . LYS . 52417 1 48 . LYS . 52417 1 49 . ALA . 52417 1 50 . SER . 52417 1 51 . LEU . 52417 1 52 . SER . 52417 1 53 . THR . 52417 1 54 . GLY . 52417 1 55 . GLY . 52417 1 56 . ARG . 52417 1 57 . TYR . 52417 1 58 . SER . 52417 1 59 . ASP . 52417 1 60 . THR . 52417 1 61 . LYS . 52417 1 62 . ASN . 52417 1 63 . THR . 52417 1 64 . ALA . 52417 1 65 . SER . 52417 1 66 . LYS . 52417 1 67 . SER . 52417 1 68 . PHE . 52417 1 69 . SER . 52417 1 70 . LEU . 52417 1 71 . ARG . 52417 1 72 . ILE . 52417 1 73 . SER . 52417 1 74 . ASP . 52417 1 75 . LEU . 52417 1 76 . ARG . 52417 1 77 . VAL . 52417 1 78 . GLU . 52417 1 79 . ASP . 52417 1 80 . SER . 52417 1 81 . GLY . 52417 1 82 . THR . 52417 1 83 . TYR . 52417 1 84 . HIS . 52417 1 85 . CYS . 52417 1 86 . GLU . 52417 1 87 . ALA . 52417 1 88 . TYR . 52417 1 89 . THR . 52417 1 90 . CYS . 52417 1 91 . ALA . 52417 1 92 . GLY . 52417 1 93 . GLY . 52417 1 94 . THR . 52417 1 95 . PRO . 52417 1 96 . TRP . 52417 1 97 . ARG . 52417 1 98 . HIS . 52417 1 99 . TYR . 52417 1 100 . ILE . 52417 1 101 . GLU . 52417 1 102 . GLY . 52417 1 103 . GLY . 52417 1 104 . GLY . 52417 1 105 . THR . 52417 1 106 . ILE . 52417 1 107 . LEU . 52417 1 108 . THR . 52417 1 109 . VAL . 52417 1 110 . LYS . 52417 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 52417 1 . ALA 2 2 52417 1 . GLU 3 3 52417 1 . ARG 4 4 52417 1 . VAL 5 5 52417 1 . GLU 6 6 52417 1 . GLN 7 7 52417 1 . THR 8 8 52417 1 . PRO 9 9 52417 1 . THR 10 10 52417 1 . THR 11 11 52417 1 . THR 12 12 52417 1 . THR 13 13 52417 1 . LYS 14 14 52417 1 . GLU 15 15 52417 1 . ALA 16 16 52417 1 . GLY 17 17 52417 1 . GLU 18 18 52417 1 . SER 19 19 52417 1 . LEU 20 20 52417 1 . THR 21 21 52417 1 . VAL 22 22 52417 1 . ASN 23 23 52417 1 . CYS 24 24 52417 1 . VAL 25 25 52417 1 . LEU 26 26 52417 1 . LYS 27 27 52417 1 . GLY 28 28 52417 1 . SER 29 29 52417 1 . SER 30 30 52417 1 . CYS 31 31 52417 1 . ALA 32 32 52417 1 . LEU 33 33 52417 1 . GLY 34 34 52417 1 . ASN 35 35 52417 1 . THR 36 36 52417 1 . TYR 37 37 52417 1 . TRP 38 38 52417 1 . TYR 39 39 52417 1 . PHE 40 40 52417 1 . THR 41 41 52417 1 . LYS 42 42 52417 1 . LYS 43 43 52417 1 . GLY 44 44 52417 1 . ALA 45 45 52417 1 . THR 46 46 52417 1 . LYS 47 47 52417 1 . LYS 48 48 52417 1 . ALA 49 49 52417 1 . SER 50 50 52417 1 . LEU 51 51 52417 1 . SER 52 52 52417 1 . THR 53 53 52417 1 . GLY 54 54 52417 1 . GLY 55 55 52417 1 . ARG 56 56 52417 1 . TYR 57 57 52417 1 . SER 58 58 52417 1 . ASP 59 59 52417 1 . THR 60 60 52417 1 . LYS 61 61 52417 1 . ASN 62 62 52417 1 . THR 63 63 52417 1 . ALA 64 64 52417 1 . SER 65 65 52417 1 . LYS 66 66 52417 1 . SER 67 67 52417 1 . PHE 68 68 52417 1 . SER 69 69 52417 1 . LEU 70 70 52417 1 . ARG 71 71 52417 1 . ILE 72 72 52417 1 . SER 73 73 52417 1 . ASP 74 74 52417 1 . LEU 75 75 52417 1 . ARG 76 76 52417 1 . VAL 77 77 52417 1 . GLU 78 78 52417 1 . ASP 79 79 52417 1 . SER 80 80 52417 1 . GLY 81 81 52417 1 . THR 82 82 52417 1 . TYR 83 83 52417 1 . HIS 84 84 52417 1 . CYS 85 85 52417 1 . GLU 86 86 52417 1 . ALA 87 87 52417 1 . TYR 88 88 52417 1 . THR 89 89 52417 1 . CYS 90 90 52417 1 . ALA 91 91 52417 1 . GLY 92 92 52417 1 . GLY 93 93 52417 1 . THR 94 94 52417 1 . PRO 95 95 52417 1 . TRP 96 96 52417 1 . ARG 97 97 52417 1 . HIS 98 98 52417 1 . TYR 99 99 52417 1 . ILE 100 100 52417 1 . GLU 101 101 52417 1 . GLY 102 102 52417 1 . GLY 103 103 52417 1 . GLY 104 104 52417 1 . THR 105 105 52417 1 . ILE 106 106 52417 1 . LEU 107 107 52417 1 . THR 108 108 52417 1 . VAL 109 109 52417 1 . LYS 110 110 52417 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 52417 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52417 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 52417 _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 . . pET22b . . . 52417 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52417 _Sample.ID 1 _Sample.Name B2-3 _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 'A type of single domain antibody' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 52417 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52417 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 52417 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52417 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 52417 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Normal conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 . M 52417 1 pH 7.4 . pH 52417 1 pressure 1 . atm 52417 1 temperature 298 . K 52417 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52417 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52417 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 52417 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 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 52417 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52417 1 2 '2D 1H-15N HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52417 1 3 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52417 1 4 '3D CBCA(CO)NH' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52417 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52417 1 6 '3D HNCA' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52417 1 7 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52417 1 8 '3D HNCO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52417 1 9 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52417 1 10 '3D CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52417 1 11 '3D HCCH-COSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52417 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 2 '2D 1H-15N HSQC' 10_HSQC_15N.zip . 'NMR experiment directory' . . 52417 1 4 '3D CBCA(CO)NH' 2_CBCA.zip . 'NMR experiment directory' . . 52417 1 6 '3D HNCA' 1_HNCA.zip . 'NMR experiment directory' . . 52417 1 8 '3D HNCO' 12_HNCO.zip . 'NMR experiment directory' . . 52417 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 52417 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 1H/13C/15N_Chem_shift_reference.B2_C _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . MHz 150.927954 internal indirect . . . . . . 52417 1 H 1 DSS 'methyl protons' . . . . MHz 600.23000420 internal direct 1.0 . . . . . 52417 1 N 15 DSS 'methyl protons' . . . . MHz 60.820778 internal indirect . . . . . . 52417 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 52417 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1H/13C/15N_Assigned_chem_shift_list.B2_C _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 4 '3D CBCA(CO)NH' . . . 52417 1 6 '3D HNCA' . . . 52417 1 8 '3D HNCO' . . . 52417 1 9 '3D HN(CA)CO' . . . 52417 1 10 '3D CCH-TOCSY' . . . 52417 1 11 '3D HCCH-COSY' . . . 52417 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 . . 52417 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 ALA HA H 1 4.340 0.02 . 1 . . . . . 2 ALA HA . 52417 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.320 0.02 . 1 . . . . . 2 ALA MB . 52417 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.320 0.02 . 1 . . . . . 2 ALA MB . 52417 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.320 0.02 . 1 . . . . . 2 ALA MB . 52417 1 5 . 1 . 1 2 2 ALA C C 13 173.841 0.30 . 1 . . . . . 2 ALA C . 52417 1 6 . 1 . 1 3 3 GLU H H 1 8.380 0.02 . 1 . . . . . 3 GLU H . 52417 1 7 . 1 . 1 3 3 GLU HA H 1 4.550 0.02 . 1 . . . . . 3 GLU HA . 52417 1 8 . 1 . 1 3 3 GLU HB2 H 1 1.530 0.02 . . . . . . . 3 GLU HB2 . 52417 1 9 . 1 . 1 3 3 GLU HB3 H 1 1.850 0.02 . . . . . . . 3 GLU HB3 . 52417 1 10 . 1 . 1 3 3 GLU HG2 H 1 2.19 0.02 . . . . . . . 3 GLU HG2 . 52417 1 11 . 1 . 1 3 3 GLU C C 13 173.250 0.30 . 1 . . . . . 3 GLU C . 52417 1 12 . 1 . 1 3 3 GLU CA C 13 53.916 0.30 . 1 . . . . . 3 GLU CA . 52417 1 13 . 1 . 1 3 3 GLU CB C 13 27.391 0.30 . 1 . . . . . 3 GLU CB . 52417 1 14 . 1 . 1 3 3 GLU CG C 13 34.100 0.30 . 1 . . . . . 3 GLU CG . 52417 1 15 . 1 . 1 3 3 GLU N N 15 120.483 0.30 . 1 . . . . . 3 GLU N . 52417 1 16 . 1 . 1 4 4 ARG H H 1 8.661 0.02 . 1 . . . . . 4 ARG H . 52417 1 17 . 1 . 1 4 4 ARG HA H 1 4.540 0.02 . 1 . . . . . 4 ARG HA . 52417 1 18 . 1 . 1 4 4 ARG HB2 H 1 1.910 0.02 . . . . . . . 4 ARG HB2 . 52417 1 19 . 1 . 1 4 4 ARG HB3 H 1 1.640 0.02 . . . . . . . 4 ARG HB3 . 52417 1 20 . 1 . 1 4 4 ARG C C 13 170.339 0.30 . 1 . . . . . 4 ARG C . 52417 1 21 . 1 . 1 4 4 ARG CA C 13 52.252 0.30 . 1 . . . . . 4 ARG CA . 52417 1 22 . 1 . 1 4 4 ARG CB C 13 29.691 0.30 . 1 . . . . . 4 ARG CB . 52417 1 23 . 1 . 1 4 4 ARG CG C 13 27.970 0.30 . 1 . . . . . 4 ARG CG . 52417 1 24 . 1 . 1 4 4 ARG CD C 13 40.950 0.30 . 1 . . . . . 4 ARG CD . 52417 1 25 . 1 . 1 4 4 ARG N N 15 119.619 0.30 . 1 . . . . . 4 ARG N . 52417 1 26 . 1 . 1 5 5 VAL H H 1 8.760 0.02 . 1 . . . . . 5 VAL H . 52417 1 27 . 1 . 1 5 5 VAL HB H 1 1.810 0.02 . 1 . . . . . 5 VAL HB . 52417 1 28 . 1 . 1 5 5 VAL C C 13 172.886 0.30 . 1 . . . . . 5 VAL C . 52417 1 29 . 1 . 1 5 5 VAL CA C 13 57.846 0.30 . 1 . . . . . 5 VAL CA . 52417 1 30 . 1 . 1 5 5 VAL CB C 13 30.273 0.30 . 1 . . . . . 5 VAL CB . 52417 1 31 . 1 . 1 5 5 VAL CG1 C 13 17.250 0.30 . . . . . . . 5 VAL CG1 . 52417 1 32 . 1 . 1 5 5 VAL CG2 C 13 19.020 0.30 . . . . . . . 5 VAL CG2 . 52417 1 33 . 1 . 1 5 5 VAL N N 15 120.929 0.30 . 1 . . . . . 5 VAL N . 52417 1 34 . 1 . 1 6 6 GLU H H 1 8.992 0.02 . 1 . . . . . 6 GLU H . 52417 1 35 . 1 . 1 6 6 GLU HA H 1 4.480 0.02 . 1 . . . . . 6 GLU HA . 52417 1 36 . 1 . 1 6 6 GLU HB2 H 1 1.810 0.02 . . . . . . . 6 GLU HB2 . 52417 1 37 . 1 . 1 6 6 GLU HB3 H 1 1.940 0.02 . . . . . . . 6 GLU HB3 . 52417 1 38 . 1 . 1 6 6 GLU C C 13 172.158 0.30 . 1 . . . . . 6 GLU C . 52417 1 39 . 1 . 1 6 6 GLU CA C 13 52.720 0.30 . 1 . . . . . 6 GLU CA . 52417 1 40 . 1 . 1 6 6 GLU CB C 13 28.271 0.30 . 1 . . . . . 6 GLU CB . 52417 1 41 . 1 . 1 6 6 GLU CG C 13 33.610 0.30 . 1 . . . . . 6 GLU CG . 52417 1 42 . 1 . 1 6 6 GLU N N 15 127.982 0.30 . 1 . . . . . 6 GLU N . 52417 1 43 . 1 . 1 7 7 GLN H H 1 9.068 0.02 . 1 . . . . . 7 GLN H . 52417 1 44 . 1 . 1 7 7 GLN HA H 1 5.470 0.02 . 1 . . . . . 7 GLN HA . 52417 1 45 . 1 . 1 7 7 GLN HB2 H 1 1.950 0.02 . . . . . . . 7 GLN HB2 . 52417 1 46 . 1 . 1 7 7 GLN HG2 H 1 1.810 0.02 . . . . . . . 7 GLN HG2 . 52417 1 47 . 1 . 1 7 7 GLN C C 13 172.613 0.30 . 1 . . . . . 7 GLN C . 52417 1 48 . 1 . 1 7 7 GLN CA C 13 51.953 0.30 . 1 . . . . . 7 GLN CA . 52417 1 49 . 1 . 1 7 7 GLN CB C 13 26.927 0.30 . 1 . . . . . 7 GLN CB . 52417 1 50 . 1 . 1 7 7 GLN CG C 13 30.020 0.30 . 1 . . . . . 7 GLN CG . 52417 1 51 . 1 . 1 7 7 GLN N N 15 131.725 0.30 . 1 . . . . . 7 GLN N . 52417 1 52 . 1 . 1 8 8 THR H H 1 9.191 0.02 . 1 . . . . . 8 THR H . 52417 1 53 . 1 . 1 8 8 THR HA H 1 4.510 0.02 . 1 . . . . . 8 THR HA . 52417 1 54 . 1 . 1 8 8 THR HB H 1 4.110 0.02 . 1 . . . . . 8 THR HB . 52417 1 55 . 1 . 1 8 8 THR HG21 H 1 1.140 0.02 . 1 . . . . . 8 THR MG . 52417 1 56 . 1 . 1 8 8 THR HG22 H 1 1.140 0.02 . 1 . . . . . 8 THR MG . 52417 1 57 . 1 . 1 8 8 THR HG23 H 1 1.140 0.02 . 1 . . . . . 8 THR MG . 52417 1 58 . 1 . 1 8 8 THR C C 13 168.383 0.30 . 1 . . . . . 8 THR C . 52417 1 59 . 1 . 1 8 8 THR CA C 13 55.361 0.30 . 1 . . . . . 8 THR CA . 52417 1 60 . 1 . 1 8 8 THR CB C 13 68.463 0.30 . 1 . . . . . 8 THR CB . 52417 1 61 . 1 . 1 8 8 THR CG2 C 13 19.450 0.30 . 1 . . . . . 8 THR CG2 . 52417 1 62 . 1 . 1 8 8 THR N N 15 119.804 0.30 . 1 . . . . . 8 THR N . 52417 1 63 . 1 . 1 9 9 PRO HA H 1 4.920 0.02 . 1 . . . . . 9 PRO HA . 52417 1 64 . 1 . 1 9 9 PRO C C 13 173.477 0.30 . 1 . . . . . 9 PRO C . 52417 1 65 . 1 . 1 10 10 THR H H 1 9.098 0.02 . 1 . . . . . 10 THR H . 52417 1 66 . 1 . 1 10 10 THR HA H 1 4.560 0.02 . 1 . . . . . 10 THR HA . 52417 1 67 . 1 . 1 10 10 THR HB H 1 4.280 0.02 . 1 . . . . . 10 THR HB . 52417 1 68 . 1 . 1 10 10 THR HG21 H 1 1.410 0.02 . 1 . . . . . 10 THR MG . 52417 1 69 . 1 . 1 10 10 THR HG22 H 1 1.410 0.02 . 1 . . . . . 10 THR MG . 52417 1 70 . 1 . 1 10 10 THR HG23 H 1 1.410 0.02 . 1 . . . . . 10 THR MG . 52417 1 71 . 1 . 1 10 10 THR C C 13 173.431 0.30 . 1 . . . . . 10 THR C . 52417 1 72 . 1 . 1 10 10 THR CA C 13 61.903 0.30 . 1 . . . . . 10 THR CA . 52417 1 73 . 1 . 1 10 10 THR CB C 13 65.688 0.30 . 1 . . . . . 10 THR CB . 52417 1 74 . 1 . 1 10 10 THR CG2 C 13 20.040 0.30 . 1 . . . . . 10 THR CG2 . 52417 1 75 . 1 . 1 10 10 THR N N 15 115.436 0.30 . 1 . . . . . 10 THR N . 52417 1 76 . 1 . 1 11 11 THR H H 1 7.457 0.02 . 1 . . . . . 11 THR H . 52417 1 77 . 1 . 1 11 11 THR HA H 1 5.220 0.02 . 1 . . . . . 11 THR HA . 52417 1 78 . 1 . 1 11 11 THR HB H 1 4.110 0.02 . 1 . . . . . 11 THR HB . 52417 1 79 . 1 . 1 11 11 THR HG21 H 1 1.170 0.02 . 1 . . . . . 11 THR MG . 52417 1 80 . 1 . 1 11 11 THR HG22 H 1 1.170 0.02 . 1 . . . . . 11 THR MG . 52417 1 81 . 1 . 1 11 11 THR HG23 H 1 1.170 0.02 . 1 . . . . . 11 THR MG . 52417 1 82 . 1 . 1 11 11 THR C C 13 169.952 0.30 . 1 . . . . . 11 THR C . 52417 1 83 . 1 . 1 11 11 THR CA C 13 57.095 0.30 . 1 . . . . . 11 THR CA . 52417 1 84 . 1 . 1 11 11 THR CB C 13 68.444 0.30 . 1 . . . . . 11 THR CB . 52417 1 85 . 1 . 1 11 11 THR CG2 C 13 18.680 0.30 . 1 . . . . . 11 THR CG2 . 52417 1 86 . 1 . 1 11 11 THR N N 15 114.051 0.30 . 1 . . . . . 11 THR N . 52417 1 87 . 1 . 1 12 12 THR H H 1 8.569 0.02 . 1 . . . . . 12 THR H . 52417 1 88 . 1 . 1 12 12 THR HA H 1 4.040 0.02 . 1 . . . . . 12 THR HA . 52417 1 89 . 1 . 1 12 12 THR C C 13 168.747 0.30 . 1 . . . . . 12 THR C . 52417 1 90 . 1 . 1 12 12 THR CA C 13 58.602 0.30 . 1 . . . . . 12 THR CA . 52417 1 91 . 1 . 1 12 12 THR CB C 13 65.773 0.30 . 1 . . . . . 12 THR CB . 52417 1 92 . 1 . 1 12 12 THR N N 15 118.380 0.30 . 1 . . . . . 12 THR N . 52417 1 93 . 1 . 1 13 13 THR H H 1 8.024 0.02 . 1 . . . . . 13 THR H . 52417 1 94 . 1 . 1 13 13 THR HA H 1 5.480 0.02 . 1 . . . . . 13 THR HA . 52417 1 95 . 1 . 1 13 13 THR HB H 1 3.880 0.02 . 1 . . . . . 13 THR HB . 52417 1 96 . 1 . 1 13 13 THR HG21 H 1 1.040 0.02 . 1 . . . . . 13 THR MG . 52417 1 97 . 1 . 1 13 13 THR HG22 H 1 1.040 0.02 . 1 . . . . . 13 THR MG . 52417 1 98 . 1 . 1 13 13 THR HG23 H 1 1.040 0.02 . 1 . . . . . 13 THR MG . 52417 1 99 . 1 . 1 13 13 THR C C 13 170.657 0.30 . 1 . . . . . 13 THR C . 52417 1 100 . 1 . 1 13 13 THR CA C 13 58.401 0.30 . 1 . . . . . 13 THR CA . 52417 1 101 . 1 . 1 13 13 THR CB C 13 67.903 0.30 . 1 . . . . . 13 THR CB . 52417 1 102 . 1 . 1 13 13 THR CG2 C 13 18.570 0.30 . 1 . . . . . 13 THR CG2 . 52417 1 103 . 1 . 1 13 13 THR N N 15 124.471 0.30 . 1 . . . . . 13 THR N . 52417 1 104 . 1 . 1 14 14 LYS H H 1 8.681 0.02 . 1 . . . . . 14 LYS H . 52417 1 105 . 1 . 1 14 14 LYS HA H 1 4.730 0.02 . 1 . . . . . 14 LYS HA . 52417 1 106 . 1 . 1 14 14 LYS HB2 H 1 1.730 0.02 . . . . . . . 14 LYS HB2 . 52417 1 107 . 1 . 1 14 14 LYS HB3 H 1 1.220 0.02 . . . . . . . 14 LYS HB3 . 52417 1 108 . 1 . 1 14 14 LYS HG2 H 1 1.030 0.02 . . . . . . . 14 LYS HG2 . 52417 1 109 . 1 . 1 14 14 LYS HG3 H 1 0.940 0.02 . . . . . . . 14 LYS HG3 . 52417 1 110 . 1 . 1 14 14 LYS HD2 H 1 1.513 0.02 . . . . . . . 14 LYS HD2 . 52417 1 111 . 1 . 1 14 14 LYS HD3 H 1 1.791 0.02 . . . . . . . 14 LYS HD3 . 52417 1 112 . 1 . 1 14 14 LYS HE2 H 1 2.948 0.02 . . . . . . . 14 LYS HE2 . 52417 1 113 . 1 . 1 14 14 LYS HE3 H 1 2.843 0.02 . . . . . . . 14 LYS HE3 . 52417 1 114 . 1 . 1 14 14 LYS C C 13 171.885 0.30 . 1 . . . . . 14 LYS C . 52417 1 115 . 1 . 1 14 14 LYS CA C 13 49.384 0.30 . 1 . . . . . 14 LYS CA . 52417 1 116 . 1 . 1 14 14 LYS CB C 13 35.041 0.30 . 1 . . . . . 14 LYS CB . 52417 1 117 . 1 . 1 14 14 LYS CG C 13 21.610 0.30 . 1 . . . . . 14 LYS CG . 52417 1 118 . 1 . 1 14 14 LYS CD C 13 25.530 0.30 . 1 . . . . . 14 LYS CD . 52417 1 119 . 1 . 1 14 14 LYS CE C 13 40.170 0.30 . 1 . . . . . 14 LYS CE . 52417 1 120 . 1 . 1 14 14 LYS N N 15 125.026 0.30 . 1 . . . . . 14 LYS N . 52417 1 121 . 1 . 1 15 15 GLU H H 1 8.997 0.02 . 1 . . . . . 15 GLU H . 52417 1 122 . 1 . 1 15 15 GLU HA H 1 4.560 0.02 . 1 . . . . . 15 GLU HA . 52417 1 123 . 1 . 1 15 15 GLU HB2 H 1 1.650 0.02 . . . . . . . 15 GLU HB2 . 52417 1 124 . 1 . 1 15 15 GLU HB3 H 1 1.940 0.02 . . . . . . . 15 GLU HB3 . 52417 1 125 . 1 . 1 15 15 GLU HG2 H 1 2.180 0.02 . . . . . . . 15 GLU HG2 . 52417 1 126 . 1 . 1 15 15 GLU C C 13 173.363 0.30 . 1 . . . . . 15 GLU C . 52417 1 127 . 1 . 1 15 15 GLU CA C 13 51.705 0.30 . 1 . . . . . 15 GLU CA . 52417 1 128 . 1 . 1 15 15 GLU CB C 13 28.387 0.30 . 1 . . . . . 15 GLU CB . 52417 1 129 . 1 . 1 15 15 GLU CG C 13 33.930 0.30 . 1 . . . . . 15 GLU CG . 52417 1 130 . 1 . 1 15 15 GLU N N 15 120.474 0.30 . 1 . . . . . 15 GLU N . 52417 1 131 . 1 . 1 16 16 ALA H H 1 8.082 0.02 . 1 . . . . . 16 ALA H . 52417 1 132 . 1 . 1 16 16 ALA HA H 1 3.560 0.02 . 1 . . . . . 16 ALA HA . 52417 1 133 . 1 . 1 16 16 ALA HB1 H 1 1.240 0.02 . 1 . . . . . 16 ALA MB . 52417 1 134 . 1 . 1 16 16 ALA HB2 H 1 1.240 0.02 . 1 . . . . . 16 ALA MB . 52417 1 135 . 1 . 1 16 16 ALA HB3 H 1 1.240 0.02 . 1 . . . . . 16 ALA MB . 52417 1 136 . 1 . 1 16 16 ALA C C 13 175.706 0.30 . 1 . . . . . 16 ALA C . 52417 1 137 . 1 . 1 16 16 ALA CA C 13 50.683 0.30 . 1 . . . . . 16 ALA CA . 52417 1 138 . 1 . 1 16 16 ALA CB C 13 14.749 0.30 . 1 . . . . . 16 ALA CB . 52417 1 139 . 1 . 1 16 16 ALA N N 15 123.774 0.30 . 1 . . . . . 16 ALA N . 52417 1 140 . 1 . 1 17 17 GLY H H 1 9.549 0.02 . 1 . . . . . 17 GLY H . 52417 1 141 . 1 . 1 17 17 GLY HA2 H 1 4.460 0.02 . . . . . . . 17 GLY HA2 . 52417 1 142 . 1 . 1 17 17 GLY HA3 H 1 3.780 0.02 . . . . . . . 17 GLY HA3 . 52417 1 143 . 1 . 1 17 17 GLY C C 13 173.204 0.30 . 1 . . . . . 17 GLY C . 52417 1 144 . 1 . 1 17 17 GLY CA C 13 41.847 0.30 . 1 . . . . . 17 GLY CA . 52417 1 145 . 1 . 1 17 17 GLY N N 15 112.274 0.30 . 1 . . . . . 17 GLY N . 52417 1 146 . 1 . 1 18 18 GLU H H 1 7.748 0.02 . 1 . . . . . 18 GLU H . 52417 1 147 . 1 . 1 18 18 GLU HA H 1 4.390 0.02 . 1 . . . . . 18 GLU HA . 52417 1 148 . 1 . 1 18 18 GLU HB2 H 1 2.210 0.02 . . . . . . . 18 GLU HB2 . 52417 1 149 . 1 . 1 18 18 GLU HB3 H 1 2.310 0.02 . . . . . . . 18 GLU HB3 . 52417 1 150 . 1 . 1 18 18 GLU HG2 H 1 2.410 0.02 . . . . . . . 18 GLU HG2 . 52417 1 151 . 1 . 1 18 18 GLU HG3 H 1 2.140 0.02 . . . . . . . 18 GLU HG3 . 52417 1 152 . 1 . 1 18 18 GLU C C 13 170.088 0.30 . 1 . . . . . 18 GLU C . 52417 1 153 . 1 . 1 18 18 GLU CA C 13 54.232 0.30 . 1 . . . . . 18 GLU CA . 52417 1 154 . 1 . 1 18 18 GLU CB C 13 28.446 0.30 . 1 . . . . . 18 GLU CB . 52417 1 155 . 1 . 1 18 18 GLU CG C 13 36.090 0.30 . 1 . . . . . 18 GLU CG . 52417 1 156 . 1 . 1 18 18 GLU N N 15 119.643 0.30 . 1 . . . . . 18 GLU N . 52417 1 157 . 1 . 1 19 19 SER H H 1 7.935 0.02 . 1 . . . . . 19 SER H . 52417 1 158 . 1 . 1 19 19 SER HA H 1 5.230 0.02 . 1 . . . . . 19 SER HA . 52417 1 159 . 1 . 1 19 19 SER HB2 H 1 3.604 0.02 . . . . . . . 19 SER HB2 . 52417 1 160 . 1 . 1 19 19 SER HB3 H 1 3.540 0.02 . . . . . . . 19 SER HB3 . 52417 1 161 . 1 . 1 19 19 SER C C 13 170.134 0.30 . 1 . . . . . 19 SER C . 52417 1 162 . 1 . 1 19 19 SER CA C 13 53.854 0.30 . 1 . . . . . 19 SER CA . 52417 1 163 . 1 . 1 19 19 SER CB C 13 63.564 0.30 . 1 . . . . . 19 SER CB . 52417 1 164 . 1 . 1 19 19 SER N N 15 110.760 0.30 . 1 . . . . . 19 SER N . 52417 1 165 . 1 . 1 20 20 LEU H H 1 8.433 0.02 . 1 . . . . . 20 LEU H . 52417 1 166 . 1 . 1 20 20 LEU HA H 1 4.210 0.02 . 1 . . . . . 20 LEU HA . 52417 1 167 . 1 . 1 20 20 LEU HB2 H 1 1.310 0.02 . . . . . . . 20 LEU HB2 . 52417 1 168 . 1 . 1 20 20 LEU C C 13 170.202 0.30 . 1 . . . . . 20 LEU C . 52417 1 169 . 1 . 1 20 20 LEU CA C 13 53.855 0.30 . 1 . . . . . 20 LEU CA . 52417 1 170 . 1 . 1 20 20 LEU N N 15 121.163 0.30 . 1 . . . . . 20 LEU N . 52417 1 171 . 1 . 1 21 21 THR H H 1 8.187 0.02 . 1 . . . . . 21 THR H . 52417 1 172 . 1 . 1 21 21 THR HA H 1 5.040 0.02 . 1 . . . . . 21 THR HA . 52417 1 173 . 1 . 1 21 21 THR HB H 1 3.730 0.02 . 1 . . . . . 21 THR HB . 52417 1 174 . 1 . 1 21 21 THR HG21 H 1 0.850 0.02 . 1 . . . . . 21 THR MG . 52417 1 175 . 1 . 1 21 21 THR HG22 H 1 0.850 0.02 . 1 . . . . . 21 THR MG . 52417 1 176 . 1 . 1 21 21 THR HG23 H 1 0.850 0.02 . 1 . . . . . 21 THR MG . 52417 1 177 . 1 . 1 21 21 THR C C 13 170.134 0.30 . 1 . . . . . 21 THR C . 52417 1 178 . 1 . 1 21 21 THR CA C 13 59.047 0.30 . 1 . . . . . 21 THR CA . 52417 1 179 . 1 . 1 21 21 THR CB C 13 67.216 0.30 . 1 . . . . . 21 THR CB . 52417 1 180 . 1 . 1 21 21 THR CG2 C 13 18.640 0.30 . 1 . . . . . 21 THR CG2 . 52417 1 181 . 1 . 1 21 21 THR N N 15 121.620 0.30 . 1 . . . . . 21 THR N . 52417 1 182 . 1 . 1 22 22 VAL H H 1 9.180 0.02 . 1 . . . . . 22 VAL H . 52417 1 183 . 1 . 1 22 22 VAL HA H 1 4.390 0.02 . 1 . . . . . 22 VAL HA . 52417 1 184 . 1 . 1 22 22 VAL HB H 1 1.837 0.02 . 1 . . . . . 22 VAL HB . 52417 1 185 . 1 . 1 22 22 VAL HG11 H 1 1.220 0.02 . . . . . . . 22 VAL MG1 . 52417 1 186 . 1 . 1 22 22 VAL HG12 H 1 1.220 0.02 . . . . . . . 22 VAL MG1 . 52417 1 187 . 1 . 1 22 22 VAL HG13 H 1 1.220 0.02 . . . . . . . 22 VAL MG1 . 52417 1 188 . 1 . 1 22 22 VAL HG21 H 1 0.590 0.02 . . . . . . . 22 VAL MG2 . 52417 1 189 . 1 . 1 22 22 VAL HG22 H 1 0.590 0.02 . . . . . . . 22 VAL MG2 . 52417 1 190 . 1 . 1 22 22 VAL HG23 H 1 0.590 0.02 . . . . . . . 22 VAL MG2 . 52417 1 191 . 1 . 1 22 22 VAL C C 13 170.316 0.30 . 1 . . . . . 22 VAL C . 52417 1 192 . 1 . 1 22 22 VAL CA C 13 58.310 0.30 . 1 . . . . . 22 VAL CA . 52417 1 193 . 1 . 1 22 22 VAL CB C 13 30.690 0.30 . 1 . . . . . 22 VAL CB . 52417 1 194 . 1 . 1 22 22 VAL CG1 C 13 20.510 0.30 . . . . . . . 22 VAL CG1 . 52417 1 195 . 1 . 1 22 22 VAL CG2 C 13 18.404 0.30 . . . . . . . 22 VAL CG2 . 52417 1 196 . 1 . 1 22 22 VAL N N 15 128.089 0.30 . 1 . . . . . 22 VAL N . 52417 1 197 . 1 . 1 23 23 ASN H H 1 9.077 0.02 . 1 . . . . . 23 ASN H . 52417 1 198 . 1 . 1 23 23 ASN HA H 1 5.204 0.02 . 1 . . . . . 23 ASN HA . 52417 1 199 . 1 . 1 23 23 ASN HB2 H 1 2.450 0.02 . . . . . . . 23 ASN HB2 . 52417 1 200 . 1 . 1 23 23 ASN C C 13 170.520 0.30 . 1 . . . . . 23 ASN C . 52417 1 201 . 1 . 1 23 23 ASN CA C 13 50.049 0.30 . 1 . . . . . 23 ASN CA . 52417 1 202 . 1 . 1 23 23 ASN CB C 13 40.020 0.30 . 1 . . . . . 23 ASN CB . 52417 1 203 . 1 . 1 23 23 ASN N N 15 123.907 0.30 . 1 . . . . . 23 ASN N . 52417 1 204 . 1 . 1 24 24 CYS H H 1 9.004 0.02 . 1 . . . . . 24 CYS H . 52417 1 205 . 1 . 1 24 24 CYS HA H 1 4.140 0.02 . 1 . . . . . 24 CYS HA . 52417 1 206 . 1 . 1 24 24 CYS HB2 H 1 1.810 0.02 . . . . . . . 24 CYS HB2 . 52417 1 207 . 1 . 1 24 24 CYS HB3 H 1 1.810 0.02 . . . . . . . 24 CYS HB3 . 52417 1 208 . 1 . 1 24 24 CYS C C 13 169.338 0.30 . 1 . . . . . 24 CYS C . 52417 1 209 . 1 . 1 24 24 CYS CA C 13 52.573 0.30 . 1 . . . . . 24 CYS CA . 52417 1 210 . 1 . 1 24 24 CYS CB C 13 44.011 0.30 . 1 . . . . . 24 CYS CB . 52417 1 211 . 1 . 1 24 24 CYS N N 15 121.233 0.30 . 1 . . . . . 24 CYS N . 52417 1 212 . 1 . 1 25 25 VAL H H 1 8.145 0.02 . 1 . . . . . 25 VAL H . 52417 1 213 . 1 . 1 25 25 VAL HA H 1 4.870 0.02 . 1 . . . . . 25 VAL HA . 52417 1 214 . 1 . 1 25 25 VAL C C 13 171.498 0.30 . 1 . . . . . 25 VAL C . 52417 1 215 . 1 . 1 25 25 VAL CA C 13 52.849 0.30 . 1 . . . . . 25 VAL CA . 52417 1 216 . 1 . 1 25 25 VAL CB C 13 27.599 0.30 . 1 . . . . . 25 VAL CB . 52417 1 217 . 1 . 1 25 25 VAL N N 15 120.375 0.30 . 1 . . . . . 25 VAL N . 52417 1 218 . 1 . 1 26 26 LEU H H 1 8.706 0.02 . 1 . . . . . 26 LEU H . 52417 1 219 . 1 . 1 26 26 LEU CA C 13 57.985 0.30 . 1 . . . . . 26 LEU CA . 52417 1 220 . 1 . 1 26 26 LEU CB C 13 32.604 0.30 . 1 . . . . . 26 LEU CB . 52417 1 221 . 1 . 1 26 26 LEU N N 15 128.772 0.30 . 1 . . . . . 26 LEU N . 52417 1 222 . 1 . 1 27 27 LYS H H 1 9.375 0.02 . 1 . . . . . 27 LYS H . 52417 1 223 . 1 . 1 27 27 LYS HA H 1 4.670 0.02 . 1 . . . . . 27 LYS HA . 52417 1 224 . 1 . 1 27 27 LYS HB2 H 1 1.501 0.02 . . . . . . . 27 LYS HB2 . 52417 1 225 . 1 . 1 27 27 LYS HB3 H 1 1.742 0.02 . . . . . . . 27 LYS HB3 . 52417 1 226 . 1 . 1 27 27 LYS HG2 H 1 1.302 0.02 . . . . . . . 27 LYS HG2 . 52417 1 227 . 1 . 1 27 27 LYS HG3 H 1 1.302 0.02 . . . . . . . 27 LYS HG3 . 52417 1 228 . 1 . 1 27 27 LYS HD2 H 1 1.556 0.02 . . . . . . . 27 LYS HD2 . 52417 1 229 . 1 . 1 27 27 LYS HD3 H 1 1.556 0.02 . . . . . . . 27 LYS HD3 . 52417 1 230 . 1 . 1 27 27 LYS HE2 H 1 2.833 0.02 . . . . . . . 27 LYS HE2 . 52417 1 231 . 1 . 1 27 27 LYS HE3 H 1 2.833 0.02 . . . . . . . 27 LYS HE3 . 52417 1 232 . 1 . 1 27 27 LYS C C 13 173.477 0.30 . 1 . . . . . 27 LYS C . 52417 1 233 . 1 . 1 27 27 LYS CA C 13 51.709 0.30 . 1 . . . . . 27 LYS CA . 52417 1 234 . 1 . 1 27 27 LYS CB C 13 32.455 0.30 . 1 . . . . . 27 LYS CB . 52417 1 235 . 1 . 1 27 27 LYS CG C 13 22.030 0.30 . 1 . . . . . 27 LYS CG . 52417 1 236 . 1 . 1 27 27 LYS CD C 13 26.210 0.30 . 1 . . . . . 27 LYS CD . 52417 1 237 . 1 . 1 27 27 LYS CE C 13 39.180 0.30 . 1 . . . . . 27 LYS CE . 52417 1 238 . 1 . 1 27 27 LYS N N 15 129.071 0.30 . 1 . . . . . 27 LYS N . 52417 1 239 . 1 . 1 28 28 GLY H H 1 8.632 0.02 . 1 . . . . . 28 GLY H . 52417 1 240 . 1 . 1 28 28 GLY HA2 H 1 3.930 0.02 . . . . . . . 28 GLY HA2 . 52417 1 241 . 1 . 1 28 28 GLY HA3 H 1 4.070 0.02 . . . . . . . 28 GLY HA3 . 52417 1 242 . 1 . 1 28 28 GLY C C 13 170.998 0.30 . 1 . . . . . 28 GLY C . 52417 1 243 . 1 . 1 28 28 GLY CA C 13 43.482 0.30 . 1 . . . . . 28 GLY CA . 52417 1 244 . 1 . 1 28 28 GLY N N 15 107.340 0.30 . 1 . . . . . 28 GLY N . 52417 1 245 . 1 . 1 29 29 SER H H 1 8.086 0.02 . 1 . . . . . 29 SER H . 52417 1 246 . 1 . 1 29 29 SER HA H 1 4.694 0.02 . 1 . . . . . 29 SER HA . 52417 1 247 . 1 . 1 29 29 SER HB2 H 1 3.610 0.02 . . . . . . . 29 SER HB2 . 52417 1 248 . 1 . 1 29 29 SER C C 13 172.863 0.30 . 1 . . . . . 29 SER C . 52417 1 249 . 1 . 1 29 29 SER CA C 13 53.854 0.30 . 1 . . . . . 29 SER CA . 52417 1 250 . 1 . 1 29 29 SER CB C 13 62.713 0.30 . 1 . . . . . 29 SER CB . 52417 1 251 . 1 . 1 29 29 SER N N 15 111.972 0.30 . 1 . . . . . 29 SER N . 52417 1 252 . 1 . 1 30 30 SER H H 1 8.034 0.02 . 1 . . . . . 30 SER H . 52417 1 253 . 1 . 1 30 30 SER HA H 1 4.320 0.02 . 1 . . . . . 30 SER HA . 52417 1 254 . 1 . 1 30 30 SER HB2 H 1 3.760 0.02 . . . . . . . 30 SER HB2 . 52417 1 255 . 1 . 1 30 30 SER C C 13 171.521 0.30 . 1 . . . . . 30 SER C . 52417 1 256 . 1 . 1 30 30 SER CA C 13 56.486 0.30 . 1 . . . . . 30 SER CA . 52417 1 257 . 1 . 1 30 30 SER CB C 13 60.688 0.30 . 1 . . . . . 30 SER CB . 52417 1 258 . 1 . 1 30 30 SER N N 15 125.657 0.30 . 1 . . . . . 30 SER N . 52417 1 259 . 1 . 1 31 31 CYS H H 1 8.177 0.02 . 1 . . . . . 31 CYS H . 52417 1 260 . 1 . 1 31 31 CYS HA H 1 4.560 0.02 . 1 . . . . . 31 CYS HA . 52417 1 261 . 1 . 1 31 31 CYS HB2 H 1 1.930 0.02 . . . . . . . 31 CYS HB2 . 52417 1 262 . 1 . 1 31 31 CYS HB3 H 1 1.650 0.02 . . . . . . . 31 CYS HB3 . 52417 1 263 . 1 . 1 31 31 CYS C C 13 173.113 0.30 . 1 . . . . . 31 CYS C . 52417 1 264 . 1 . 1 31 31 CYS CA C 13 51.579 0.30 . 1 . . . . . 31 CYS CA . 52417 1 265 . 1 . 1 31 31 CYS CB C 13 42.316 0.30 . 1 . . . . . 31 CYS CB . 52417 1 266 . 1 . 1 31 31 CYS N N 15 119.439 0.30 . 1 . . . . . 31 CYS N . 52417 1 267 . 1 . 1 32 32 ALA H H 1 7.966 0.02 . 1 . . . . . 32 ALA H . 52417 1 268 . 1 . 1 32 32 ALA HA H 1 4.080 0.02 . 1 . . . . . 32 ALA HA . 52417 1 269 . 1 . 1 32 32 ALA HB1 H 1 1.330 0.02 . 1 . . . . . 32 ALA MB . 52417 1 270 . 1 . 1 32 32 ALA HB2 H 1 1.330 0.02 . 1 . . . . . 32 ALA MB . 52417 1 271 . 1 . 1 32 32 ALA HB3 H 1 1.330 0.02 . 1 . . . . . 32 ALA MB . 52417 1 272 . 1 . 1 32 32 ALA C C 13 174.023 0.30 . 1 . . . . . 32 ALA C . 52417 1 273 . 1 . 1 32 32 ALA CA C 13 48.965 0.30 . 1 . . . . . 32 ALA CA . 52417 1 274 . 1 . 1 32 32 ALA CB C 13 17.215 0.30 . 1 . . . . . 32 ALA CB . 52417 1 275 . 1 . 1 32 32 ALA N N 15 123.704 0.30 . 1 . . . . . 32 ALA N . 52417 1 276 . 1 . 1 33 33 LEU HA H 1 4.680 0.02 . 1 . . . . . 33 LEU HA . 52417 1 277 . 1 . 1 34 34 GLY H H 1 8.364 0.02 . 1 . . . . . 34 GLY H . 52417 1 278 . 1 . 1 34 34 GLY HA2 H 1 4.210 0.02 . . . . . . . 34 GLY HA2 . 52417 1 279 . 1 . 1 34 34 GLY C C 13 170.293 0.30 . 1 . . . . . 34 GLY C . 52417 1 280 . 1 . 1 34 34 GLY CA C 13 41.714 0.30 . 1 . . . . . 34 GLY CA . 52417 1 281 . 1 . 1 34 34 GLY N N 15 117.514 0.30 . 1 . . . . . 34 GLY N . 52417 1 282 . 1 . 1 35 35 ASN H H 1 8.264 0.02 . 1 . . . . . 35 ASN H . 52417 1 283 . 1 . 1 35 35 ASN HA H 1 4.210 0.02 . 1 . . . . . 35 ASN HA . 52417 1 284 . 1 . 1 35 35 ASN HB2 H 1 2.440 0.02 . . . . . . . 35 ASN HB2 . 52417 1 285 . 1 . 1 35 35 ASN HB3 H 1 2.140 0.02 . . . . . . . 35 ASN HB3 . 52417 1 286 . 1 . 1 35 35 ASN C C 13 171.123 0.30 . 1 . . . . . 35 ASN C . 52417 1 287 . 1 . 1 35 35 ASN CA C 13 51.377 0.30 . 1 . . . . . 35 ASN CA . 52417 1 288 . 1 . 1 35 35 ASN CB C 13 36.230 0.30 . 1 . . . . . 35 ASN CB . 52417 1 289 . 1 . 1 35 35 ASN ND2 N 15 122.164 0.30 . 1 . . . . . 35 ASN ND2 . 52417 1 290 . 1 . 1 36 36 THR H H 1 7.388 0.02 . 1 . . . . . 36 THR H . 52417 1 291 . 1 . 1 36 36 THR HA H 1 4.701 0.02 . 1 . . . . . 36 THR HA . 52417 1 292 . 1 . 1 36 36 THR HB H 1 3.440 0.02 . 1 . . . . . 36 THR HB . 52417 1 293 . 1 . 1 36 36 THR HG21 H 1 -0.050 0.02 . 1 . . . . . 36 THR MG . 52417 1 294 . 1 . 1 36 36 THR HG22 H 1 -0.050 0.02 . 1 . . . . . 36 THR MG . 52417 1 295 . 1 . 1 36 36 THR HG23 H 1 -0.050 0.02 . 1 . . . . . 36 THR MG . 52417 1 296 . 1 . 1 36 36 THR C C 13 170.339 0.30 . 1 . . . . . 36 THR C . 52417 1 297 . 1 . 1 36 36 THR CA C 13 55.693 0.30 . 1 . . . . . 36 THR CA . 52417 1 298 . 1 . 1 36 36 THR CB C 13 69.583 0.30 . 1 . . . . . 36 THR CB . 52417 1 299 . 1 . 1 36 36 THR CG2 C 13 18.590 0.30 . 1 . . . . . 36 THR CG2 . 52417 1 300 . 1 . 1 36 36 THR N N 15 109.656 0.30 . 1 . . . . . 36 THR N . 52417 1 301 . 1 . 1 37 37 TYR H H 1 8.521 0.02 . 1 . . . . . 37 TYR H . 52417 1 302 . 1 . 1 37 37 TYR HA H 1 4.560 0.02 . 1 . . . . . 37 TYR HA . 52417 1 303 . 1 . 1 37 37 TYR HB2 H 1 2.880 0.02 . . . . . . . 37 TYR HB2 . 52417 1 304 . 1 . 1 37 37 TYR C C 13 170.430 0.30 . 1 . . . . . 37 TYR C . 52417 1 305 . 1 . 1 37 37 TYR CA C 13 54.531 0.30 . 1 . . . . . 37 TYR CA . 52417 1 306 . 1 . 1 37 37 TYR CB C 13 40.971 0.30 . 1 . . . . . 37 TYR CB . 52417 1 307 . 1 . 1 37 37 TYR N N 15 117.969 0.30 . 1 . . . . . 37 TYR N . 52417 1 308 . 1 . 1 38 38 TRP H H 1 8.446 0.02 . 1 . . . . . 38 TRP H . 52417 1 309 . 1 . 1 38 38 TRP HA H 1 4.280 0.02 . 1 . . . . . 38 TRP HA . 52417 1 310 . 1 . 1 38 38 TRP HB2 H 1 2.820 0.02 . . . . . . . 38 TRP HB2 . 52417 1 311 . 1 . 1 38 38 TRP HB3 H 1 2.970 0.02 . . . . . . . 38 TRP HB3 . 52417 1 312 . 1 . 1 38 38 TRP C C 13 172.635 0.30 . 1 . . . . . 38 TRP C . 52417 1 313 . 1 . 1 38 38 TRP CA C 13 53.130 0.30 . 1 . . . . . 38 TRP CA . 52417 1 314 . 1 . 1 38 38 TRP CB C 13 30.559 0.30 . 1 . . . . . 38 TRP CB . 52417 1 315 . 1 . 1 38 38 TRP N N 15 119.196 0.30 . 1 . . . . . 38 TRP N . 52417 1 316 . 1 . 1 39 39 TYR H H 1 9.171 0.02 . 1 . . . . . 39 TYR H . 52417 1 317 . 1 . 1 39 39 TYR HA H 1 5.420 0.02 . 1 . . . . . 39 TYR HA . 52417 1 318 . 1 . 1 39 39 TYR HB2 H 1 2.460 0.02 . . . . . . . 39 TYR HB2 . 52417 1 319 . 1 . 1 39 39 TYR HB3 H 1 2.780 0.02 . . . . . . . 39 TYR HB3 . 52417 1 320 . 1 . 1 39 39 TYR C C 13 171.567 0.30 . 1 . . . . . 39 TYR C . 52417 1 321 . 1 . 1 39 39 TYR CA C 13 53.635 0.30 . 1 . . . . . 39 TYR CA . 52417 1 322 . 1 . 1 39 39 TYR CB C 13 41.177 0.30 . 1 . . . . . 39 TYR CB . 52417 1 323 . 1 . 1 39 39 TYR N N 15 117.959 0.30 . 1 . . . . . 39 TYR N . 52417 1 324 . 1 . 1 40 40 PHE H H 1 9.438 0.02 . 1 . . . . . 40 PHE H . 52417 1 325 . 1 . 1 40 40 PHE HA H 1 4.318 0.02 . 1 . . . . . 40 PHE HA . 52417 1 326 . 1 . 1 40 40 PHE HB2 H 1 2.830 0.02 . . . . . . . 40 PHE HB2 . 52417 1 327 . 1 . 1 40 40 PHE C C 13 171.496 0.30 . 1 . . . . . 40 PHE C . 52417 1 328 . 1 . 1 40 40 PHE CA C 13 53.635 0.30 . 1 . . . . . 40 PHE CA . 52417 1 329 . 1 . 1 40 40 PHE CB C 13 41.248 0.30 . 1 . . . . . 40 PHE CB . 52417 1 330 . 1 . 1 40 40 PHE N N 15 121.328 0.30 . 1 . . . . . 40 PHE N . 52417 1 331 . 1 . 1 41 41 THR H H 1 9.120 0.02 . 1 . . . . . 41 THR H . 52417 1 332 . 1 . 1 41 41 THR HA H 1 4.104 0.02 . 1 . . . . . 41 THR HA . 52417 1 333 . 1 . 1 41 41 THR HB H 1 3.760 0.02 . 1 . . . . . 41 THR HB . 52417 1 334 . 1 . 1 41 41 THR HG21 H 1 0.740 0.02 . 1 . . . . . 41 THR MG . 52417 1 335 . 1 . 1 41 41 THR HG22 H 1 0.740 0.02 . 1 . . . . . 41 THR MG . 52417 1 336 . 1 . 1 41 41 THR HG23 H 1 0.740 0.02 . 1 . . . . . 41 THR MG . 52417 1 337 . 1 . 1 41 41 THR C C 13 170.702 0.30 . 1 . . . . . 41 THR C . 52417 1 338 . 1 . 1 41 41 THR CA C 13 58.084 0.30 . 1 . . . . . 41 THR CA . 52417 1 339 . 1 . 1 41 41 THR CB C 13 65.987 0.30 . 1 . . . . . 41 THR CB . 52417 1 340 . 1 . 1 41 41 THR CG2 C 13 17.890 0.30 . 1 . . . . . 41 THR CG2 . 52417 1 341 . 1 . 1 41 41 THR N N 15 129.348 0.30 . 1 . . . . . 41 THR N . 52417 1 342 . 1 . 1 42 42 LYS H H 1 7.954 0.02 . 1 . . . . . 42 LYS H . 52417 1 343 . 1 . 1 42 42 LYS HA H 1 3.540 0.02 . 1 . . . . . 42 LYS HA . 52417 1 344 . 1 . 1 42 42 LYS HB2 H 1 1.540 0.02 . . . . . . . 42 LYS HB2 . 52417 1 345 . 1 . 1 42 42 LYS HB3 H 1 1.460 0.02 . . . . . . . 42 LYS HB3 . 52417 1 346 . 1 . 1 42 42 LYS HG2 H 1 1.340 0.02 . . . . . . . 42 LYS HG2 . 52417 1 347 . 1 . 1 42 42 LYS HG3 H 1 1.340 0.02 . . . . . . . 42 LYS HG3 . 52417 1 348 . 1 . 1 42 42 LYS HD2 H 1 1.680 0.02 . . . . . . . 42 LYS HD2 . 52417 1 349 . 1 . 1 42 42 LYS HD3 H 1 1.580 0.02 . . . . . . . 42 LYS HD3 . 52417 1 350 . 1 . 1 42 42 LYS HE2 H 1 3.050 0.02 . . . . . . . 42 LYS HE2 . 52417 1 351 . 1 . 1 42 42 LYS HE3 H 1 3.050 0.02 . . . . . . . 42 LYS HE3 . 52417 1 352 . 1 . 1 42 42 LYS C C 13 172.340 0.30 . 1 . . . . . 42 LYS C . 52417 1 353 . 1 . 1 42 42 LYS CA C 13 53.895 0.30 . 1 . . . . . 42 LYS CA . 52417 1 354 . 1 . 1 42 42 LYS CB C 13 29.840 0.30 . 1 . . . . . 42 LYS CB . 52417 1 355 . 1 . 1 42 42 LYS CG C 13 21.860 0.30 . 1 . . . . . 42 LYS CG . 52417 1 356 . 1 . 1 42 42 LYS CD C 13 26.980 0.30 . 1 . . . . . 42 LYS CD . 52417 1 357 . 1 . 1 42 42 LYS CE C 13 39.330 0.30 . 1 . . . . . 42 LYS CE . 52417 1 358 . 1 . 1 42 42 LYS N N 15 129.945 0.30 . 1 . . . . . 42 LYS N . 52417 1 359 . 1 . 1 43 43 LYS H H 1 7.715 0.02 . 1 . . . . . 43 LYS H . 52417 1 360 . 1 . 1 43 43 LYS HA H 1 4.010 0.02 . 1 . . . . . 43 LYS HA . 52417 1 361 . 1 . 1 43 43 LYS HB2 H 1 1.630 0.02 . . . . . . . 43 LYS HB2 . 52417 1 362 . 1 . 1 43 43 LYS HB3 H 1 1.510 0.02 . . . . . . . 43 LYS HB3 . 52417 1 363 . 1 . 1 43 43 LYS HG2 H 1 1.287 0.02 . . . . . . . 43 LYS HG2 . 52417 1 364 . 1 . 1 43 43 LYS HG3 H 1 1.287 0.02 . . . . . . . 43 LYS HG3 . 52417 1 365 . 1 . 1 43 43 LYS HD2 H 1 1.562 0.02 . . . . . . . 43 LYS HD2 . 52417 1 366 . 1 . 1 43 43 LYS HD3 H 1 1.562 0.02 . . . . . . . 43 LYS HD3 . 52417 1 367 . 1 . 1 43 43 LYS HE2 H 1 2.864 0.02 . . . . . . . 43 LYS HE2 . 52417 1 368 . 1 . 1 43 43 LYS HE3 H 1 2.864 0.02 . . . . . . . 43 LYS HE3 . 52417 1 369 . 1 . 1 43 43 LYS C C 13 174.887 0.30 . 1 . . . . . 43 LYS C . 52417 1 370 . 1 . 1 43 43 LYS CA C 13 55.788 0.30 . 1 . . . . . 43 LYS CA . 52417 1 371 . 1 . 1 43 43 LYS CB C 13 29.465 0.30 . 1 . . . . . 43 LYS CB . 52417 1 372 . 1 . 1 43 43 LYS CG C 13 21.510 0.30 . 1 . . . . . 43 LYS CG . 52417 1 373 . 1 . 1 43 43 LYS CD C 13 26.620 0.30 . 1 . . . . . 43 LYS CD . 52417 1 374 . 1 . 1 43 43 LYS CE C 13 39.430 0.30 . 1 . . . . . 43 LYS CE . 52417 1 375 . 1 . 1 43 43 LYS N N 15 123.362 0.30 . 1 . . . . . 43 LYS N . 52417 1 376 . 1 . 1 44 44 GLY H H 1 8.190 0.02 . 1 . . . . . 44 GLY H . 52417 1 377 . 1 . 1 44 44 GLY HA2 H 1 4.180 0.02 . . . . . . . 44 GLY HA2 . 52417 1 378 . 1 . 1 44 44 GLY HA3 H 1 3.560 0.02 . . . . . . . 44 GLY HA3 . 52417 1 379 . 1 . 1 44 44 GLY C C 13 170.680 0.30 . 1 . . . . . 44 GLY C . 52417 1 380 . 1 . 1 44 44 GLY CA C 13 42.570 0.30 . 1 . . . . . 44 GLY CA . 52417 1 381 . 1 . 1 44 44 GLY N N 15 118.670 0.30 . 1 . . . . . 44 GLY N . 52417 1 382 . 1 . 1 45 45 ALA H H 1 8.217 0.02 . 1 . . . . . 45 ALA H . 52417 1 383 . 1 . 1 45 45 ALA HA H 1 4.620 0.02 . 1 . . . . . 45 ALA HA . 52417 1 384 . 1 . 1 45 45 ALA HB1 H 1 1.420 0.02 . 1 . . . . . 45 ALA MB . 52417 1 385 . 1 . 1 45 45 ALA HB2 H 1 1.420 0.02 . 1 . . . . . 45 ALA MB . 52417 1 386 . 1 . 1 45 45 ALA HB3 H 1 1.420 0.02 . 1 . . . . . 45 ALA MB . 52417 1 387 . 1 . 1 45 45 ALA C C 13 174.341 0.30 . 1 . . . . . 45 ALA C . 52417 1 388 . 1 . 1 45 45 ALA CA C 13 47.968 0.30 . 1 . . . . . 45 ALA CA . 52417 1 389 . 1 . 1 45 45 ALA CB C 13 18.73 0.30 . 1 . . . . . 45 ALA CB . 52417 1 390 . 1 . 1 45 45 ALA N N 15 123.523 0.30 . 1 . . . . . 45 ALA N . 52417 1 391 . 1 . 1 46 46 THR HA H 1 4.320 0.02 . 1 . . . . . 46 THR HA . 52417 1 392 . 1 . 1 46 46 THR HB H 1 4.240 0.02 . 1 . . . . . 46 THR HB . 52417 1 393 . 1 . 1 46 46 THR HG21 H 1 1.030 0.02 . 1 . . . . . 46 THR MG . 52417 1 394 . 1 . 1 46 46 THR HG22 H 1 1.030 0.02 . 1 . . . . . 46 THR MG . 52417 1 395 . 1 . 1 46 46 THR HG23 H 1 1.030 0.02 . 1 . . . . . 46 THR MG . 52417 1 396 . 1 . 1 46 46 THR C C 13 171.680 0.30 . 1 . . . . . 46 THR C . 52417 1 397 . 1 . 1 46 46 THR CA C 13 58.920 0.30 . 1 . . . . . 46 THR CA . 52417 1 398 . 1 . 1 46 46 THR CB C 13 67.040 0.30 . 1 . . . . . 46 THR CB . 52417 1 399 . 1 . 1 46 46 THR CG2 C 13 18.750 0.30 . 1 . . . . . 46 THR CG2 . 52417 1 400 . 1 . 1 47 47 LYS H H 1 7.251 0.02 . 1 . . . . . 47 LYS H . 52417 1 401 . 1 . 1 47 47 LYS HA H 1 4.350 0.02 . 1 . . . . . 47 LYS HA . 52417 1 402 . 1 . 1 47 47 LYS HB2 H 1 1.670 0.02 . . . . . . . 47 LYS HB2 . 52417 1 403 . 1 . 1 47 47 LYS HB3 H 1 1.670 0.02 . . . . . . . 47 LYS HB3 . 52417 1 404 . 1 . 1 47 47 LYS HG2 H 1 1.280 0.02 . . . . . . . 47 LYS HG2 . 52417 1 405 . 1 . 1 47 47 LYS HG3 H 1 1.280 0.02 . . . . . . . 47 LYS HG3 . 52417 1 406 . 1 . 1 47 47 LYS HD2 H 1 1.556 0.02 . . . . . . . 47 LYS HD2 . 52417 1 407 . 1 . 1 47 47 LYS HD3 H 1 1.556 0.02 . . . . . . . 47 LYS HD3 . 52417 1 408 . 1 . 1 47 47 LYS HE2 H 1 2.890 0.02 . . . . . . . 47 LYS HE2 . 52417 1 409 . 1 . 1 47 47 LYS HE3 H 1 2.890 0.02 . . . . . . . 47 LYS HE3 . 52417 1 410 . 1 . 1 47 47 LYS C C 13 171.817 0.30 . 1 . . . . . 47 LYS C . 52417 1 411 . 1 . 1 47 47 LYS CA C 13 52.572 0.30 . 1 . . . . . 47 LYS CA . 52417 1 412 . 1 . 1 47 47 LYS CB C 13 31.409 0.30 . 1 . . . . . 47 LYS CB . 52417 1 413 . 1 . 1 47 47 LYS CG C 13 21.560 0.30 . 1 . . . . . 47 LYS CG . 52417 1 414 . 1 . 1 47 47 LYS CD C 13 26.370 0.30 . 1 . . . . . 47 LYS CD . 52417 1 415 . 1 . 1 47 47 LYS CE C 13 39.460 0.30 . 1 . . . . . 47 LYS CE . 52417 1 416 . 1 . 1 47 47 LYS N N 15 122.266 0.30 . 1 . . . . . 47 LYS N . 52417 1 417 . 1 . 1 48 48 LYS H H 1 8.240 0.02 . 1 . . . . . 48 LYS H . 52417 1 418 . 1 . 1 48 48 LYS HA H 1 4.340 0.02 . 1 . . . . . 48 LYS HA . 52417 1 419 . 1 . 1 48 48 LYS HB2 H 1 1.685 0.02 . . . . . . . 48 LYS HB2 . 52417 1 420 . 1 . 1 48 48 LYS HB3 H 1 1.585 0.02 . . . . . . . 48 LYS HB3 . 52417 1 421 . 1 . 1 48 48 LYS HG2 H 1 1.276 0.02 . . . . . . . 48 LYS HG2 . 52417 1 422 . 1 . 1 48 48 LYS HG3 H 1 1.276 0.02 . . . . . . . 48 LYS HG3 . 52417 1 423 . 1 . 1 48 48 LYS HD2 H 1 1.791 0.02 . . . . . . . 48 LYS HD2 . 52417 1 424 . 1 . 1 48 48 LYS HD3 H 1 1.791 0.02 . . . . . . . 48 LYS HD3 . 52417 1 425 . 1 . 1 48 48 LYS HE2 H 1 2.810 0.02 . . . . . . . 48 LYS HE2 . 52417 1 426 . 1 . 1 48 48 LYS HE3 H 1 2.810 0.02 . . . . . . . 48 LYS HE3 . 52417 1 427 . 1 . 1 48 48 LYS C C 13 172.613 0.30 . 1 . . . . . 48 LYS C . 52417 1 428 . 1 . 1 48 48 LYS CA C 13 53.089 0.30 . 1 . . . . . 48 LYS CA . 52417 1 429 . 1 . 1 48 48 LYS CB C 13 31.321 0.30 . 1 . . . . . 48 LYS CB . 52417 1 430 . 1 . 1 48 48 LYS CG C 13 21.750 0.30 . 1 . . . . . 48 LYS CG . 52417 1 431 . 1 . 1 48 48 LYS CD C 13 27.820 0.30 . 1 . . . . . 48 LYS CD . 52417 1 432 . 1 . 1 48 48 LYS CE C 13 39.260 0.30 . 1 . . . . . 48 LYS CE . 52417 1 433 . 1 . 1 48 48 LYS N N 15 125.465 0.30 . 1 . . . . . 48 LYS N . 52417 1 434 . 1 . 1 49 49 ALA H H 1 8.568 0.02 . 1 . . . . . 49 ALA H . 52417 1 435 . 1 . 1 49 49 ALA HA H 1 4.810 0.02 . 1 . . . . . 49 ALA HA . 52417 1 436 . 1 . 1 49 49 ALA HB1 H 1 1.520 0.02 . 1 . . . . . 49 ALA MB . 52417 1 437 . 1 . 1 49 49 ALA HB2 H 1 1.520 0.02 . 1 . . . . . 49 ALA MB . 52417 1 438 . 1 . 1 49 49 ALA HB3 H 1 1.520 0.02 . 1 . . . . . 49 ALA MB . 52417 1 439 . 1 . 1 49 49 ALA C C 13 174.409 0.30 . 1 . . . . . 49 ALA C . 52417 1 440 . 1 . 1 49 49 ALA CA C 13 47.769 0.30 . 1 . . . . . 49 ALA CA . 52417 1 441 . 1 . 1 49 49 ALA CB C 13 18.709 0.30 . 1 . . . . . 49 ALA CB . 52417 1 442 . 1 . 1 49 49 ALA N N 15 126.212 0.30 . 1 . . . . . 49 ALA N . 52417 1 443 . 1 . 1 50 50 SER H H 1 8.792 0.02 . 1 . . . . . 50 SER H . 52417 1 444 . 1 . 1 50 50 SER HA H 1 4.260 0.02 . 1 . . . . . 50 SER HA . 52417 1 445 . 1 . 1 50 50 SER HB2 H 1 3.740 0.02 . . . . . . . 50 SER HB2 . 52417 1 446 . 1 . 1 50 50 SER C C 13 171.453 0.30 . 1 . . . . . 50 SER C . 52417 1 447 . 1 . 1 50 50 SER CA C 13 56.457 0.30 . 1 . . . . . 50 SER CA . 52417 1 448 . 1 . 1 50 50 SER CB C 13 60.741 0.30 . 1 . . . . . 50 SER CB . 52417 1 449 . 1 . 1 50 50 SER N N 15 117.892 0.30 . 1 . . . . . 50 SER N . 52417 1 450 . 1 . 1 51 51 LEU HA H 1 4.080 0.02 . 1 . . . . . 51 LEU HA . 52417 1 451 . 1 . 1 51 51 LEU C C 13 170.134 0.30 . 1 . . . . . 51 LEU C . 52417 1 452 . 1 . 1 52 52 SER H H 1 8.088 0.02 . 1 . . . . . 52 SER H . 52417 1 453 . 1 . 1 52 52 SER HA H 1 4.630 0.02 . 1 . . . . . 52 SER HA . 52417 1 454 . 1 . 1 52 52 SER HB2 H 1 3.710 0.02 . . . . . . . 52 SER HB2 . 52417 1 455 . 1 . 1 52 52 SER HB3 H 1 3.810 0.02 . . . . . . . 52 SER HB3 . 52417 1 456 . 1 . 1 52 52 SER C C 13 170.953 0.30 . 1 . . . . . 52 SER C . 52417 1 457 . 1 . 1 52 52 SER CA C 13 54.300 0.30 . 1 . . . . . 52 SER CA . 52417 1 458 . 1 . 1 52 52 SER CB C 13 61.665 0.30 . 1 . . . . . 52 SER CB . 52417 1 459 . 1 . 1 52 52 SER N N 15 117.926 0.30 . 1 . . . . . 52 SER N . 52417 1 460 . 1 . 1 53 53 THR H H 1 8.315 0.02 . 1 . . . . . 53 THR H . 52417 1 461 . 1 . 1 53 53 THR HA H 1 4.160 0.02 . 1 . . . . . 53 THR HA . 52417 1 462 . 1 . 1 53 53 THR HB H 1 4.110 0.02 . 1 . . . . . 53 THR HB . 52417 1 463 . 1 . 1 53 53 THR HG21 H 1 1.080 0.02 . 1 . . . . . 53 THR MG . 52417 1 464 . 1 . 1 53 53 THR HG22 H 1 1.080 0.02 . 1 . . . . . 53 THR MG . 52417 1 465 . 1 . 1 53 53 THR HG23 H 1 1.080 0.02 . 1 . . . . . 53 THR MG . 52417 1 466 . 1 . 1 53 53 THR C C 13 171.817 0.30 . 1 . . . . . 53 THR C . 52417 1 467 . 1 . 1 53 53 THR CA C 13 60.276 0.30 . 1 . . . . . 53 THR CA . 52417 1 468 . 1 . 1 53 53 THR CB C 13 66.518 0.30 . 1 . . . . . 53 THR CB . 52417 1 469 . 1 . 1 53 53 THR CG2 C 13 18.840 0.30 . 1 . . . . . 53 THR CG2 . 52417 1 470 . 1 . 1 53 53 THR N N 15 115.702 0.30 . 1 . . . . . 53 THR N . 52417 1 471 . 1 . 1 54 54 GLY H H 1 8.347 0.02 . 1 . . . . . 54 GLY H . 52417 1 472 . 1 . 1 54 54 GLY HA2 H 1 4.460 0.02 . . . . . . . 54 GLY HA2 . 52417 1 473 . 1 . 1 54 54 GLY HA3 H 1 3.780 0.02 . . . . . . . 54 GLY HA3 . 52417 1 474 . 1 . 1 54 54 GLY C C 13 172.340 0.30 . 1 . . . . . 54 GLY C . 52417 1 475 . 1 . 1 54 54 GLY CA C 13 41.548 0.30 . 1 . . . . . 54 GLY CA . 52417 1 476 . 1 . 1 54 54 GLY N N 15 113.012 0.30 . 1 . . . . . 54 GLY N . 52417 1 477 . 1 . 1 55 55 GLY C C 13 172.977 0.30 . 1 . . . . . 55 GLY C . 52417 1 478 . 1 . 1 56 56 ARG H H 1 8.011 0.02 . 1 . . . . . 56 ARG H . 52417 1 479 . 1 . 1 56 56 ARG HA H 1 3.950 0.02 . 1 . . . . . 56 ARG HA . 52417 1 480 . 1 . 1 56 56 ARG HB2 H 1 1.660 0.02 . . . . . . . 56 ARG HB2 . 52417 1 481 . 1 . 1 56 56 ARG HB3 H 1 2.110 0.02 . . . . . . . 56 ARG HB3 . 52417 1 482 . 1 . 1 56 56 ARG HG2 H 1 1.790 0.02 . . . . . . . 56 ARG HG2 . 52417 1 483 . 1 . 1 56 56 ARG HG3 H 1 1.790 0.02 . . . . . . . 56 ARG HG3 . 52417 1 484 . 1 . 1 56 56 ARG HD2 H 1 2.850 0.02 . . . . . . . 56 ARG HD2 . 52417 1 485 . 1 . 1 56 56 ARG HD3 H 1 2.850 0.02 . . . . . . . 56 ARG HD3 . 52417 1 486 . 1 . 1 56 56 ARG C C 13 171.680 0.30 . 1 . . . . . 56 ARG C . 52417 1 487 . 1 . 1 56 56 ARG CA C 13 54.631 0.30 . 1 . . . . . 56 ARG CA . 52417 1 488 . 1 . 1 56 56 ARG CB C 13 26.254 0.30 . 1 . . . . . 56 ARG CB . 52417 1 489 . 1 . 1 56 56 ARG CG C 13 25.850 0.30 . 1 . . . . . 56 ARG CG . 52417 1 490 . 1 . 1 56 56 ARG CD C 13 39.940 0.30 . 1 . . . . . 56 ARG CD . 52417 1 491 . 1 . 1 56 56 ARG N N 15 122.583 0.30 . 1 . . . . . 56 ARG N . 52417 1 492 . 1 . 1 57 57 TYR H H 1 7.724 0.02 . 1 . . . . . 57 TYR H . 52417 1 493 . 1 . 1 57 57 TYR HA H 1 5.010 0.02 . 1 . . . . . 57 TYR HA . 52417 1 494 . 1 . 1 57 57 TYR HB2 H 1 3.150 0.02 . . . . . . . 57 TYR HB2 . 52417 1 495 . 1 . 1 57 57 TYR HB3 H 1 2.510 0.02 . . . . . . . 57 TYR HB3 . 52417 1 496 . 1 . 1 57 57 TYR C C 13 173.318 0.30 . 1 . . . . . 57 TYR C . 52417 1 497 . 1 . 1 57 57 TYR CA C 13 53.269 0.30 . 1 . . . . . 57 TYR CA . 52417 1 498 . 1 . 1 57 57 TYR CB C 13 36.862 0.30 . 1 . . . . . 57 TYR CB . 52417 1 499 . 1 . 1 57 57 TYR N N 15 117.861 0.30 . 1 . . . . . 57 TYR N . 52417 1 500 . 1 . 1 58 58 SER H H 1 8.852 0.02 . 1 . . . . . 58 SER H . 52417 1 501 . 1 . 1 58 58 SER HA H 1 4.71 0.02 . 1 . . . . . 58 SER HA . 52417 1 502 . 1 . 1 58 58 SER HB2 H 1 3.67 0.02 . . . . . . . 58 SER HB2 . 52417 1 503 . 1 . 1 58 58 SER C C 13 169.497 0.30 . 1 . . . . . 58 SER C . 52417 1 504 . 1 . 1 58 58 SER CA C 13 54.736 0.30 . 1 . . . . . 58 SER CA . 52417 1 505 . 1 . 1 58 58 SER CB C 13 62.003 0.30 . 1 . . . . . 58 SER CB . 52417 1 506 . 1 . 1 58 58 SER N N 15 117.892 0.30 . 1 . . . . . 58 SER N . 52417 1 507 . 1 . 1 59 59 ASP H H 1 8.754 0.02 . 1 . . . . . 59 ASP H . 52417 1 508 . 1 . 1 59 59 ASP HA H 1 5.480 0.02 . 1 . . . . . 59 ASP HA . 52417 1 509 . 1 . 1 59 59 ASP HB2 H 1 2.950 0.02 . . . . . . . 59 ASP HB2 . 52417 1 510 . 1 . 1 59 59 ASP HB3 H 1 2.190 0.02 . . . . . . . 59 ASP HB3 . 52417 1 511 . 1 . 1 59 59 ASP C C 13 172.112 0.30 . 1 . . . . . 59 ASP C . 52417 1 512 . 1 . 1 59 59 ASP CA C 13 49.418 0.30 . 1 . . . . . 59 ASP CA . 52417 1 513 . 1 . 1 59 59 ASP CB C 13 40.735 0.30 . 1 . . . . . 59 ASP CB . 52417 1 514 . 1 . 1 59 59 ASP N N 15 125.934 0.30 . 1 . . . . . 59 ASP N . 52417 1 515 . 1 . 1 60 60 THR H H 1 8.697 0.02 . 1 . . . . . 60 THR H . 52417 1 516 . 1 . 1 60 60 THR HA H 1 4.650 0.02 . 1 . . . . . 60 THR HA . 52417 1 517 . 1 . 1 60 60 THR HB H 1 4.080 0.02 . 1 . . . . . 60 THR HB . 52417 1 518 . 1 . 1 60 60 THR HG21 H 1 1.010 0.02 . 1 . . . . . 60 THR MG . 52417 1 519 . 1 . 1 60 60 THR HG22 H 1 1.010 0.02 . 1 . . . . . 60 THR MG . 52417 1 520 . 1 . 1 60 60 THR HG23 H 1 1.010 0.02 . 1 . . . . . 60 THR MG . 52417 1 521 . 1 . 1 60 60 THR C C 13 170.907 0.30 . 1 . . . . . 60 THR C . 52417 1 522 . 1 . 1 60 60 THR CA C 13 57.918 0.30 . 1 . . . . . 60 THR CA . 52417 1 523 . 1 . 1 60 60 THR CB C 13 69.509 0.30 . 1 . . . . . 60 THR CB . 52417 1 524 . 1 . 1 60 60 THR CG2 C 13 18.350 0.30 . 1 . . . . . 60 THR CG2 . 52417 1 525 . 1 . 1 60 60 THR N N 15 112.947 0.30 . 1 . . . . . 60 THR N . 52417 1 526 . 1 . 1 61 61 LYS H H 1 8.626 0.02 . 1 . . . . . 61 LYS H . 52417 1 527 . 1 . 1 61 61 LYS HA H 1 4.910 0.02 . 1 . . . . . 61 LYS HA . 52417 1 528 . 1 . 1 61 61 LYS HB2 H 1 1.770 0.02 . . . . . . . 61 LYS HB2 . 52417 1 529 . 1 . 1 61 61 LYS C C 13 171.726 0.30 . 1 . . . . . 61 LYS C . 52417 1 530 . 1 . 1 61 61 LYS CA C 13 53.591 0.30 . 1 . . . . . 61 LYS CA . 52417 1 531 . 1 . 1 61 61 LYS CB C 13 33.060 0.30 . 1 . . . . . 61 LYS CB . 52417 1 532 . 1 . 1 61 61 LYS N N 15 122.325 0.30 . 1 . . . . . 61 LYS N . 52417 1 533 . 1 . 1 62 62 ASN H H 1 9.157 0.02 . 1 . . . . . 62 ASN H . 52417 1 534 . 1 . 1 62 62 ASN HA H 1 4.980 0.02 . 1 . . . . . 62 ASN HA . 52417 1 535 . 1 . 1 62 62 ASN HB2 H 1 3.141 0.02 . . . . . . . 62 ASN HB2 . 52417 1 536 . 1 . 1 62 62 ASN HB3 H 1 2.515 0.02 . . . . . . . 62 ASN HB3 . 52417 1 537 . 1 . 1 62 62 ASN C C 13 172.977 0.30 . 1 . . . . . 62 ASN C . 52417 1 538 . 1 . 1 62 62 ASN CA C 13 49.172 0.30 . 1 . . . . . 62 ASN CA . 52417 1 539 . 1 . 1 62 62 ASN CB C 13 36.359 0.30 . 1 . . . . . 62 ASN CB . 52417 1 540 . 1 . 1 62 62 ASN N N 15 123.701 0.30 . 1 . . . . . 62 ASN N . 52417 1 541 . 1 . 1 64 64 ALA H H 1 8.385 0.02 . 1 . . . . . 64 ALA H . 52417 1 542 . 1 . 1 64 64 ALA HA H 1 4.210 0.02 . 1 . . . . . 64 ALA HA . 52417 1 543 . 1 . 1 64 64 ALA HB1 H 1 1.460 0.02 . 1 . . . . . 64 ALA MB . 52417 1 544 . 1 . 1 64 64 ALA HB2 H 1 1.460 0.02 . 1 . . . . . 64 ALA MB . 52417 1 545 . 1 . 1 64 64 ALA HB3 H 1 1.460 0.02 . 1 . . . . . 64 ALA MB . 52417 1 546 . 1 . 1 64 64 ALA C C 13 176.489 0.30 . 1 . . . . . 64 ALA C . 52417 1 547 . 1 . 1 64 64 ALA CA C 13 52.440 0.30 . 1 . . . . . 64 ALA CA . 52417 1 548 . 1 . 1 64 64 ALA CB C 13 15.510 0.30 . 1 . . . . . 64 ALA CB . 52417 1 549 . 1 . 1 65 65 SER H H 1 7.551 0.02 . 1 . . . . . 65 SER H . 52417 1 550 . 1 . 1 65 65 SER HA H 1 4.650 0.02 . 1 . . . . . 65 SER HA . 52417 1 551 . 1 . 1 65 65 SER HB2 H 1 3.770 0.02 . . . . . . . 65 SER HB2 . 52417 1 552 . 1 . 1 65 65 SER C C 13 170.862 0.30 . 1 . . . . . 65 SER C . 52417 1 553 . 1 . 1 65 65 SER CA C 13 54.972 0.30 . 1 . . . . . 65 SER CA . 52417 1 554 . 1 . 1 65 65 SER CB C 13 60.954 0.30 . 1 . . . . . 65 SER CB . 52417 1 555 . 1 . 1 65 65 SER N N 15 110.674 0.30 . 1 . . . . . 65 SER N . 52417 1 556 . 1 . 1 66 66 LYS H H 1 7.932 0.02 . 1 . . . . . 66 LYS H . 52417 1 557 . 1 . 1 66 66 LYS HA H 1 4.460 0.02 . 1 . . . . . 66 LYS HA . 52417 1 558 . 1 . 1 66 66 LYS C C 13 170.157 0.30 . 1 . . . . . 66 LYS C . 52417 1 559 . 1 . 1 66 66 LYS CA C 13 55.027 0.30 . 1 . . . . . 66 LYS CA . 52417 1 560 . 1 . 1 66 66 LYS CB C 13 27.796 0.30 . 1 . . . . . 66 LYS CB . 52417 1 561 . 1 . 1 66 66 LYS N N 15 118.618 0.30 . 1 . . . . . 66 LYS N . 52417 1 562 . 1 . 1 67 67 SER H H 1 8.094 0.02 . 1 . . . . . 67 SER H . 52417 1 563 . 1 . 1 67 67 SER HA H 1 5.640 0.02 . 1 . . . . . 67 SER HA . 52417 1 564 . 1 . 1 67 67 SER HB2 H 1 3.870 0.02 . . . . . . . 67 SER HB2 . 52417 1 565 . 1 . 1 67 67 SER HB3 H 1 3.650 0.02 . . . . . . . 67 SER HB3 . 52417 1 566 . 1 . 1 67 67 SER C C 13 169.565 0.30 . 1 . . . . . 67 SER C . 52417 1 567 . 1 . 1 67 67 SER CA C 13 53.336 0.30 . 1 . . . . . 67 SER CA . 52417 1 568 . 1 . 1 67 67 SER CB C 13 64.393 0.30 . 1 . . . . . 67 SER CB . 52417 1 569 . 1 . 1 67 67 SER N N 15 110.803 0.30 . 1 . . . . . 67 SER N . 52417 1 570 . 1 . 1 68 68 PHE H H 1 9.489 0.02 . 1 . . . . . 68 PHE H . 52417 1 571 . 1 . 1 68 68 PHE HA H 1 4.665 0.02 . 1 . . . . . 68 PHE HA . 52417 1 572 . 1 . 1 68 68 PHE HB2 H 1 3.340 0.02 . . . . . . . 68 PHE HB2 . 52417 1 573 . 1 . 1 68 68 PHE HB3 H 1 3.650 0.02 . . . . . . . 68 PHE HB3 . 52417 1 574 . 1 . 1 68 68 PHE C C 13 170.816 0.30 . 1 . . . . . 68 PHE C . 52417 1 575 . 1 . 1 68 68 PHE CA C 13 55.410 0.30 . 1 . . . . . 68 PHE CA . 52417 1 576 . 1 . 1 68 68 PHE CB C 13 33.880 0.30 . 1 . . . . . 68 PHE CB . 52417 1 577 . 1 . 1 69 69 SER H H 1 8.824 0.02 . 1 . . . . . 69 SER H . 52417 1 578 . 1 . 1 69 69 SER HA H 1 5.802 0.02 . 1 . . . . . 69 SER HA . 52417 1 579 . 1 . 1 69 69 SER HB2 H 1 3.680 0.02 . . . . . . . 69 SER HB2 . 52417 1 580 . 1 . 1 69 69 SER HB3 H 1 3.520 0.02 . . . . . . . 69 SER HB3 . 52417 1 581 . 1 . 1 69 69 SER C C 13 168.474 0.30 . 1 . . . . . 69 SER C . 52417 1 582 . 1 . 1 69 69 SER CA C 13 54.579 0.30 . 1 . . . . . 69 SER CA . 52417 1 583 . 1 . 1 69 69 SER CB C 13 64.487 0.30 . 1 . . . . . 69 SER CB . 52417 1 584 . 1 . 1 69 69 SER N N 15 115.946 0.30 . 1 . . . . . 69 SER N . 52417 1 585 . 1 . 1 70 70 LEU H H 1 8.151 0.02 . 1 . . . . . 70 LEU H . 52417 1 586 . 1 . 1 70 70 LEU HA H 1 4.690 0.02 . 1 . . . . . 70 LEU HA . 52417 1 587 . 1 . 1 70 70 LEU C C 13 168.536 0.30 . 1 . . . . . 70 LEU C . 52417 1 588 . 1 . 1 70 70 LEU N N 15 124.775 0.30 . 1 . . . . . 70 LEU N . 52417 1 589 . 1 . 1 71 71 ARG H H 1 8.761 0.02 . 1 . . . . . 71 ARG H . 52417 1 590 . 1 . 1 71 71 ARG HA H 1 5.301 0.02 . 1 . . . . . 71 ARG HA . 52417 1 591 . 1 . 1 71 71 ARG HB2 H 1 1.560 0.02 . . . . . . . 71 ARG HB2 . 52417 1 592 . 1 . 1 71 71 ARG HB3 H 1 1.402 0.02 . . . . . . . 71 ARG HB3 . 52417 1 593 . 1 . 1 71 71 ARG HG2 H 1 1.140 0.02 . . . . . . . 71 ARG HG2 . 52417 1 594 . 1 . 1 71 71 ARG HG3 H 1 1.320 0.02 . . . . . . . 71 ARG HG3 . 52417 1 595 . 1 . 1 71 71 ARG HD2 H 1 2.880 0.02 . . . . . . . 71 ARG HD2 . 52417 1 596 . 1 . 1 71 71 ARG HD3 H 1 2.880 0.02 . . . . . . . 71 ARG HD3 . 52417 1 597 . 1 . 1 71 71 ARG C C 13 172.590 0.30 . 1 . . . . . 71 ARG C . 52417 1 598 . 1 . 1 71 71 ARG CA C 13 50.949 0.30 . 1 . . . . . 71 ARG CA . 52417 1 599 . 1 . 1 71 71 ARG CB C 13 29.427 0.30 . 1 . . . . . 71 ARG CB . 52417 1 600 . 1 . 1 71 71 ARG CG C 13 24.540 0.30 . 1 . . . . . 71 ARG CG . 52417 1 601 . 1 . 1 71 71 ARG CD C 13 40.710 0.30 . 1 . . . . . 71 ARG CD . 52417 1 602 . 1 . 1 71 71 ARG N N 15 126.83 0.30 . 1 . . . . . 71 ARG N . 52417 1 603 . 1 . 1 72 72 ILE H H 1 8.907 0.02 . 1 . . . . . 72 ILE H . 52417 1 604 . 1 . 1 72 72 ILE HA H 1 4.320 0.02 . 1 . . . . . 72 ILE HA . 52417 1 605 . 1 . 1 72 72 ILE HB H 1 1.330 0.02 . 1 . . . . . 72 ILE HB . 52417 1 606 . 1 . 1 72 72 ILE C C 13 174.637 0.30 . 1 . . . . . 72 ILE C . 52417 1 607 . 1 . 1 72 72 ILE N N 15 126.788 0.30 . 1 . . . . . 72 ILE N . 52417 1 608 . 1 . 1 73 73 SER H H 1 8.339 0.02 . 1 . . . . . 73 SER H . 52417 1 609 . 1 . 1 73 73 SER HA H 1 4.330 0.02 . 1 . . . . . 73 SER HA . 52417 1 610 . 1 . 1 73 73 SER HB2 H 1 3.580 0.02 . . . . . . . 73 SER HB2 . 52417 1 611 . 1 . 1 73 73 SER C C 13 169.474 0.30 . 1 . . . . . 73 SER C . 52417 1 612 . 1 . 1 73 73 SER CA C 13 54.523 0.30 . 1 . . . . . 73 SER CA . 52417 1 613 . 1 . 1 73 73 SER CB C 13 62.412 0.30 . 1 . . . . . 73 SER CB . 52417 1 614 . 1 . 1 73 73 SER N N 15 121.002 0.30 . 1 . . . . . 73 SER N . 52417 1 615 . 1 . 1 74 74 ASP H H 1 8.221 0.02 . 1 . . . . . 74 ASP H . 52417 1 616 . 1 . 1 74 74 ASP HA H 1 3.820 0.02 . 1 . . . . . 74 ASP HA . 52417 1 617 . 1 . 1 74 74 ASP HB2 H 1 2.650 0.02 . . . . . . . 74 ASP HB2 . 52417 1 618 . 1 . 1 74 74 ASP HB3 H 1 2.202 0.02 . . . . . . . 74 ASP HB3 . 52417 1 619 . 1 . 1 74 74 ASP C C 13 172.158 0.30 . 1 . . . . . 74 ASP C . 52417 1 620 . 1 . 1 74 74 ASP CA C 13 51.405 0.30 . 1 . . . . . 74 ASP CA . 52417 1 621 . 1 . 1 74 74 ASP CB C 13 37.086 0.30 . 1 . . . . . 74 ASP CB . 52417 1 622 . 1 . 1 74 74 ASP N N 15 118.795 0.30 . 1 . . . . . 74 ASP N . 52417 1 623 . 1 . 1 75 75 LEU H H 1 8.364 0.02 . 1 . . . . . 75 LEU H . 52417 1 624 . 1 . 1 75 75 LEU HA H 1 5.410 0.02 . 1 . . . . . 75 LEU HA . 52417 1 625 . 1 . 1 75 75 LEU HB2 H 1 2.430 0.02 . . . . . . . 75 LEU HB2 . 52417 1 626 . 1 . 1 75 75 LEU C C 13 172.181 0.30 . 1 . . . . . 75 LEU C . 52417 1 627 . 1 . 1 75 75 LEU CA C 13 53.520 0.30 . 1 . . . . . 75 LEU CA . 52417 1 628 . 1 . 1 75 75 LEU CB C 13 41.050 0.30 . 1 . . . . . 75 LEU CB . 52417 1 629 . 1 . 1 75 75 LEU N N 15 115.198 0.30 . 1 . . . . . 75 LEU N . 52417 1 630 . 1 . 1 76 76 ARG H H 1 9.497 0.02 . 1 . . . . . 76 ARG H . 52417 1 631 . 1 . 1 76 76 ARG HA H 1 4.670 0.02 . 1 . . . . . 76 ARG HA . 52417 1 632 . 1 . 1 76 76 ARG HB2 H 1 2.090 0.02 . . . . . . . 76 ARG HB2 . 52417 1 633 . 1 . 1 76 76 ARG HB3 H 1 1.410 0.02 . . . . . . . 76 ARG HB3 . 52417 1 634 . 1 . 1 76 76 ARG HG2 H 1 1.662 0.02 . . . . . . . 76 ARG HG2 . 52417 1 635 . 1 . 1 76 76 ARG HG3 H 1 1.571 0.02 . . . . . . . 76 ARG HG3 . 52417 1 636 . 1 . 1 76 76 ARG HD2 H 1 3.160 0.02 . . . . . . . 76 ARG HD2 . 52417 1 637 . 1 . 1 76 76 ARG HD3 H 1 3.160 0.02 . . . . . . . 76 ARG HD3 . 52417 1 638 . 1 . 1 76 76 ARG C C 13 174.841 0.30 . 1 . . . . . 76 ARG C . 52417 1 639 . 1 . 1 76 76 ARG CA C 13 50.580 0.30 . 1 . . . . . 76 ARG CA . 52417 1 640 . 1 . 1 76 76 ARG CB C 13 30.261 0.30 . 1 . . . . . 76 ARG CB . 52417 1 641 . 1 . 1 76 76 ARG CG C 13 23.620 0.30 . 1 . . . . . 76 ARG CG . 52417 1 642 . 1 . 1 76 76 ARG CD C 13 40.830 0.30 . 1 . . . . . 76 ARG CD . 52417 1 643 . 1 . 1 76 76 ARG N N 15 121.159 0.30 . 1 . . . . . 76 ARG N . 52417 1 644 . 1 . 1 77 77 VAL H H 1 8.870 0.02 . 1 . . . . . 77 VAL H . 52417 1 645 . 1 . 1 77 77 VAL HA H 1 3.570 0.02 . 1 . . . . . 77 VAL HA . 52417 1 646 . 1 . 1 77 77 VAL HB H 1 1.970 0.02 . 1 . . . . . 77 VAL HB . 52417 1 647 . 1 . 1 77 77 VAL HG11 H 1 0.940 0.02 . . . . . . . 77 VAL MG1 . 52417 1 648 . 1 . 1 77 77 VAL HG12 H 1 0.940 0.02 . . . . . . . 77 VAL MG1 . 52417 1 649 . 1 . 1 77 77 VAL HG13 H 1 0.940 0.02 . . . . . . . 77 VAL MG1 . 52417 1 650 . 1 . 1 77 77 VAL C C 13 176.661 0.30 . 1 . . . . . 77 VAL C . 52417 1 651 . 1 . 1 77 77 VAL CA C 13 64.362 0.30 . 1 . . . . . 77 VAL CA . 52417 1 652 . 1 . 1 77 77 VAL CB C 13 28.734 0.30 . 1 . . . . . 77 VAL CB . 52417 1 653 . 1 . 1 77 77 VAL CG1 C 13 18.460 0.30 . . . . . . . 77 VAL CG1 . 52417 1 654 . 1 . 1 77 77 VAL N N 15 122.517 0.30 . 1 . . . . . 77 VAL N . 52417 1 655 . 1 . 1 78 78 GLU H H 1 9.317 0.02 . 1 . . . . . 78 GLU H . 52417 1 656 . 1 . 1 78 78 GLU HA H 1 4.330 0.02 . 1 . . . . . 78 GLU HA . 52417 1 657 . 1 . 1 78 78 GLU HB2 H 1 2.140 0.02 . . . . . . . 78 GLU HB2 . 52417 1 658 . 1 . 1 78 78 GLU HB3 H 1 2.020 0.02 . . . . . . . 78 GLU HB3 . 52417 1 659 . 1 . 1 78 78 GLU HG2 H 1 2.270 0.02 . . . . . . . 78 GLU HG2 . 52417 1 660 . 1 . 1 78 78 GLU HG3 H 1 2.270 0.02 . . . . . . . 78 GLU HG3 . 52417 1 661 . 1 . 1 78 78 GLU C C 13 173.727 0.30 . 1 . . . . . 78 GLU C . 52417 1 662 . 1 . 1 78 78 GLU CA C 13 56.424 0.30 . 1 . . . . . 78 GLU CA . 52417 1 663 . 1 . 1 78 78 GLU CB C 13 25.432 0.30 . 1 . . . . . 78 GLU CB . 52417 1 664 . 1 . 1 78 78 GLU CG C 13 33.890 0.30 . 1 . . . . . 78 GLU CG . 52417 1 665 . 1 . 1 78 78 GLU N N 15 118.561 0.30 . 1 . . . . . 78 GLU N . 52417 1 666 . 1 . 1 79 79 ASP H H 1 8.196 0.02 . 1 . . . . . 79 ASP H . 52417 1 667 . 1 . 1 79 79 ASP HA H 1 4.540 0.02 . 1 . . . . . 79 ASP HA . 52417 1 668 . 1 . 1 79 79 ASP HB2 H 1 2.860 0.02 . . . . . . . 79 ASP HB2 . 52417 1 669 . 1 . 1 79 79 ASP HB3 H 1 2.560 0.02 . . . . . . . 79 ASP HB3 . 52417 1 670 . 1 . 1 79 79 ASP C C 13 174.114 0.30 . 1 . . . . . 79 ASP C . 52417 1 671 . 1 . 1 79 79 ASP CA C 13 52.690 0.30 . 1 . . . . . 79 ASP CA . 52417 1 672 . 1 . 1 79 79 ASP CB C 13 38.282 0.30 . 1 . . . . . 79 ASP CB . 52417 1 673 . 1 . 1 79 79 ASP N N 15 118.748 0.30 . 1 . . . . . 79 ASP N . 52417 1 674 . 1 . 1 80 80 SER H H 1 8.043 0.02 . 1 . . . . . 80 SER H . 52417 1 675 . 1 . 1 80 80 SER HA H 1 4.340 0.02 . 1 . . . . . 80 SER HA . 52417 1 676 . 1 . 1 80 80 SER HB2 H 1 4.230 0.02 . . . . . . . 80 SER HB2 . 52417 1 677 . 1 . 1 80 80 SER HB3 H 1 4.140 0.02 . . . . . . . 80 SER HB3 . 52417 1 678 . 1 . 1 80 80 SER C C 13 170.498 0.30 . 1 . . . . . 80 SER C . 52417 1 679 . 1 . 1 80 80 SER CA C 13 58.452 0.30 . 1 . . . . . 80 SER CA . 52417 1 680 . 1 . 1 80 80 SER CB C 13 61.142 0.30 . 1 . . . . . 80 SER CB . 52417 1 681 . 1 . 1 80 80 SER N N 15 116.021 0.30 . 1 . . . . . 80 SER N . 52417 1 682 . 1 . 1 81 81 GLY H H 1 8.996 0.02 . 1 . . . . . 81 GLY H . 52417 1 683 . 1 . 1 81 81 GLY HA2 H 1 4.680 0.02 . . . . . . . 81 GLY HA2 . 52417 1 684 . 1 . 1 81 81 GLY HA3 H 1 3.780 0.02 . . . . . . . 81 GLY HA3 . 52417 1 685 . 1 . 1 81 81 GLY C C 13 168.406 0.30 . 1 . . . . . 81 GLY C . 52417 1 686 . 1 . 1 81 81 GLY CA C 13 42.689 0.30 . 1 . . . . . 81 GLY CA . 52417 1 687 . 1 . 1 81 81 GLY N N 15 113.639 0.30 . 1 . . . . . 81 GLY N . 52417 1 688 . 1 . 1 82 82 THR H H 1 8.492 0.02 . 1 . . . . . 82 THR H . 52417 1 689 . 1 . 1 82 82 THR HA H 1 5.480 0.02 . 1 . . . . . 82 THR HA . 52417 1 690 . 1 . 1 82 82 THR HB H 1 3.730 0.02 . 1 . . . . . 82 THR HB . 52417 1 691 . 1 . 1 82 82 THR HG21 H 1 0.850 0.02 . 1 . . . . . 82 THR MG . 52417 1 692 . 1 . 1 82 82 THR HG22 H 1 0.850 0.02 . 1 . . . . . 82 THR MG . 52417 1 693 . 1 . 1 82 82 THR HG23 H 1 0.850 0.02 . 1 . . . . . 82 THR MG . 52417 1 694 . 1 . 1 82 82 THR C C 13 170.862 0.30 . 1 . . . . . 82 THR C . 52417 1 695 . 1 . 1 82 82 THR CA C 13 58.582 0.30 . 1 . . . . . 82 THR CA . 52417 1 696 . 1 . 1 82 82 THR CB C 13 67.572 0.30 . 1 . . . . . 82 THR CB . 52417 1 697 . 1 . 1 82 82 THR CG2 C 13 18.680 0.30 . 1 . . . . . 82 THR CG2 . 52417 1 698 . 1 . 1 82 82 THR N N 15 117.016 0.30 . 1 . . . . . 82 THR N . 52417 1 699 . 1 . 1 83 83 TYR H H 1 9.402 0.02 . 1 . . . . . 83 TYR H . 52417 1 700 . 1 . 1 83 83 TYR HA H 1 3.690 0.02 . 1 . . . . . 83 TYR HA . 52417 1 701 . 1 . 1 83 83 TYR HB2 H 1 2.760 0.02 . . . . . . . 83 TYR HB2 . 52417 1 702 . 1 . 1 83 83 TYR C C 13 173.477 0.30 . 1 . . . . . 83 TYR C . 52417 1 703 . 1 . 1 83 83 TYR CA C 13 54.266 0.30 . 1 . . . . . 83 TYR CA . 52417 1 704 . 1 . 1 83 83 TYR CB C 13 38.506 0.30 . 1 . . . . . 83 TYR CB . 52417 1 705 . 1 . 1 83 83 TYR N N 15 127.086 0.30 . 1 . . . . . 83 TYR N . 52417 1 706 . 1 . 1 84 84 HIS H H 1 9.492 0.02 . 1 . . . . . 84 HIS H . 52417 1 707 . 1 . 1 84 84 HIS HA H 1 5.332 0.02 . 1 . . . . . 84 HIS HA . 52417 1 708 . 1 . 1 84 84 HIS HB2 H 1 2.780 0.02 . . . . . . . 84 HIS HB2 . 52417 1 709 . 1 . 1 84 84 HIS C C 13 170.430 0.30 . 1 . . . . . 84 HIS C . 52417 1 710 . 1 . 1 84 84 HIS CA C 13 54.315 0.30 . 1 . . . . . 84 HIS CA . 52417 1 711 . 1 . 1 84 84 HIS CB C 13 31.484 0.30 . 1 . . . . . 84 HIS CB . 52417 1 712 . 1 . 1 84 84 HIS N N 15 122.928 0.30 . 1 . . . . . 84 HIS N . 52417 1 713 . 1 . 1 85 85 CYS H H 1 7.842 0.02 . 1 . . . . . 85 CYS H . 52417 1 714 . 1 . 1 85 85 CYS HA H 1 4.920 0.02 . 1 . . . . . 85 CYS HA . 52417 1 715 . 1 . 1 85 85 CYS HB2 H 1 2.550 0.02 . . . . . . . 85 CYS HB2 . 52417 1 716 . 1 . 1 85 85 CYS C C 13 169.452 0.30 . 1 . . . . . 85 CYS C . 52417 1 717 . 1 . 1 85 85 CYS CA C 13 49.406 0.30 . 1 . . . . . 85 CYS CA . 52417 1 718 . 1 . 1 85 85 CYS CB C 13 42.637 0.30 . 1 . . . . . 85 CYS CB . 52417 1 719 . 1 . 1 85 85 CYS N N 15 117.035 0.30 . 1 . . . . . 85 CYS N . 52417 1 720 . 1 . 1 86 86 GLU H H 1 8.919 0.02 . 1 . . . . . 86 GLU H . 52417 1 721 . 1 . 1 86 86 GLU HA H 1 4.340 0.02 . 1 . . . . . 86 GLU HA . 52417 1 722 . 1 . 1 86 86 GLU HB2 H 1 2.530 0.02 . . . . . . . 86 GLU HB2 . 52417 1 723 . 1 . 1 86 86 GLU HB3 H 1 2.030 0.02 . . . . . . . 86 GLU HB3 . 52417 1 724 . 1 . 1 86 86 GLU HG2 H 1 2.220 0.02 . . . . . . . 86 GLU HG2 . 52417 1 725 . 1 . 1 86 86 GLU C C 13 170.771 0.30 . 1 . . . . . 86 GLU C . 52417 1 726 . 1 . 1 86 86 GLU CA C 13 51.981 0.30 . 1 . . . . . 86 GLU CA . 52417 1 727 . 1 . 1 86 86 GLU CB C 13 32.096 0.30 . 1 . . . . . 86 GLU CB . 52417 1 728 . 1 . 1 86 86 GLU CG C 13 36.840 0.30 . 1 . . . . . 86 GLU CG . 52417 1 729 . 1 . 1 86 86 GLU N N 15 121.592 0.30 . 1 . . . . . 86 GLU N . 52417 1 730 . 1 . 1 87 87 ALA H H 1 8.857 0.02 . 1 . . . . . 87 ALA H . 52417 1 731 . 1 . 1 87 87 ALA HA H 1 4.210 0.02 . 1 . . . . . 87 ALA HA . 52417 1 732 . 1 . 1 87 87 ALA HB1 H 1 1.290 0.02 . 1 . . . . . 87 ALA MB . 52417 1 733 . 1 . 1 87 87 ALA HB2 H 1 1.290 0.02 . 1 . . . . . 87 ALA MB . 52417 1 734 . 1 . 1 87 87 ALA HB3 H 1 1.290 0.02 . 1 . . . . . 87 ALA MB . 52417 1 735 . 1 . 1 87 87 ALA C C 13 172.726 0.30 . 1 . . . . . 87 ALA C . 52417 1 736 . 1 . 1 87 87 ALA CA C 13 47.471 0.30 . 1 . . . . . 87 ALA CA . 52417 1 737 . 1 . 1 87 87 ALA CB C 13 19.904 0.30 . 1 . . . . . 87 ALA CB . 52417 1 738 . 1 . 1 87 87 ALA N N 15 123.745 0.30 . 1 . . . . . 87 ALA N . 52417 1 739 . 1 . 1 88 88 TYR H H 1 8.161 0.02 . 1 . . . . . 88 TYR H . 52417 1 740 . 1 . 1 88 88 TYR HA H 1 4.380 0.02 . 1 . . . . . 88 TYR HA . 52417 1 741 . 1 . 1 88 88 TYR HB2 H 1 2.820 0.02 . . . . . . . 88 TYR HB2 . 52417 1 742 . 1 . 1 88 88 TYR C C 13 173.227 0.30 . 1 . . . . . 88 TYR C . 52417 1 743 . 1 . 1 88 88 TYR CA C 13 54.232 0.30 . 1 . . . . . 88 TYR CA . 52417 1 744 . 1 . 1 88 88 TYR CB C 13 36.862 0.30 . 1 . . . . . 88 TYR CB . 52417 1 745 . 1 . 1 88 88 TYR N N 15 121.574 0.30 . 1 . . . . . 88 TYR N . 52417 1 746 . 1 . 1 89 89 THR H H 1 8.259 0.02 . 1 . . . . . 89 THR H . 52417 1 747 . 1 . 1 89 89 THR HA H 1 4.493 0.02 . 1 . . . . . 89 THR HA . 52417 1 748 . 1 . 1 89 89 THR HB H 1 3.980 0.02 . 1 . . . . . 89 THR HB . 52417 1 749 . 1 . 1 89 89 THR HG21 H 1 0.816 0.02 . 1 . . . . . 89 THR MG . 52417 1 750 . 1 . 1 89 89 THR HG22 H 1 0.816 0.02 . 1 . . . . . 89 THR MG . 52417 1 751 . 1 . 1 89 89 THR HG23 H 1 0.816 0.02 . 1 . . . . . 89 THR MG . 52417 1 752 . 1 . 1 89 89 THR C C 13 170.498 0.30 . 1 . . . . . 89 THR C . 52417 1 753 . 1 . 1 89 89 THR CA C 13 57.022 0.30 . 1 . . . . . 89 THR CA . 52417 1 754 . 1 . 1 89 89 THR CB C 13 66.521 0.30 . 1 . . . . . 89 THR CB . 52417 1 755 . 1 . 1 89 89 THR CG2 C 13 17.950 0.30 . 1 . . . . . 89 THR CG2 . 52417 1 756 . 1 . 1 89 89 THR N N 15 117.016 0.30 . 1 . . . . . 89 THR N . 52417 1 757 . 1 . 1 91 91 ALA H H 1 8.817 0.02 . 1 . . . . . 91 ALA H . 52417 1 758 . 1 . 1 91 91 ALA C C 13 172.726 0.30 . 1 . . . . . 91 ALA C . 52417 1 759 . 1 . 1 91 91 ALA CA C 13 47.471 0.30 . 1 . . . . . 91 ALA CA . 52417 1 760 . 1 . 1 91 91 ALA CB C 13 19.904 0.30 . 1 . . . . . 91 ALA CB . 52417 1 761 . 1 . 1 91 91 ALA N N 15 123.662 0.30 . 1 . . . . . 91 ALA N . 52417 1 762 . 1 . 1 92 92 GLY H H 1 8.518 0.02 . 1 . . . . . 92 GLY H . 52417 1 763 . 1 . 1 92 92 GLY HA2 H 1 3.790 0.02 . . . . . . . 92 GLY HA2 . 52417 1 764 . 1 . 1 92 92 GLY C C 13 171.362 0.30 . 1 . . . . . 92 GLY C . 52417 1 765 . 1 . 1 92 92 GLY CA C 13 43.077 0.30 . 1 . . . . . 92 GLY CA . 52417 1 766 . 1 . 1 92 92 GLY N N 15 110.073 0.30 . 1 . . . . . 92 GLY N . 52417 1 767 . 1 . 1 93 93 GLY H H 1 7.778 0.02 . 1 . . . . . 93 GLY H . 52417 1 768 . 1 . 1 93 93 GLY HA2 H 1 3.840 0.02 . . . . . . . 93 GLY HA2 . 52417 1 769 . 1 . 1 93 93 GLY C C 13 169.952 0.30 . 1 . . . . . 93 GLY C . 52417 1 770 . 1 . 1 93 93 GLY CA C 13 41.780 0.30 . 1 . . . . . 93 GLY CA . 52417 1 771 . 1 . 1 93 93 GLY N N 15 108.422 0.30 . 1 . . . . . 93 GLY N . 52417 1 772 . 1 . 1 94 94 THR H H 1 7.796 0.02 . 1 . . . . . 94 THR H . 52417 1 773 . 1 . 1 94 94 THR HA H 1 5.200 0.02 . 1 . . . . . 94 THR HA . 52417 1 774 . 1 . 1 94 94 THR HB H 1 4.100 0.02 . 1 . . . . . 94 THR HB . 52417 1 775 . 1 . 1 94 94 THR HG21 H 1 1.170 0.02 . 1 . . . . . 94 THR MG . 52417 1 776 . 1 . 1 94 94 THR HG22 H 1 1.170 0.02 . 1 . . . . . 94 THR MG . 52417 1 777 . 1 . 1 94 94 THR HG23 H 1 1.170 0.02 . 1 . . . . . 94 THR MG . 52417 1 778 . 1 . 1 94 94 THR C C 13 170.566 0.30 . 1 . . . . . 94 THR C . 52417 1 779 . 1 . 1 94 94 THR CA C 13 56.524 0.30 . 1 . . . . . 94 THR CA . 52417 1 780 . 1 . 1 94 94 THR CB C 13 67.118 0.30 . 1 . . . . . 94 THR CB . 52417 1 781 . 1 . 1 94 94 THR CG2 C 13 18.480 0.30 . 1 . . . . . 94 THR CG2 . 52417 1 782 . 1 . 1 94 94 THR N N 15 113.942 0.30 . 1 . . . . . 94 THR N . 52417 1 783 . 1 . 1 95 95 PRO C C 13 173.636 0.30 . 1 . . . . . 95 PRO C . 52417 1 784 . 1 . 1 95 95 PRO CA C 13 60.914 0.30 . 1 . . . . . 95 PRO CA . 52417 1 785 . 1 . 1 95 95 PRO CB C 13 28.550 0.30 . 1 . . . . . 95 PRO CB . 52417 1 786 . 1 . 1 96 96 TRP H H 1 7.249 0.02 . 1 . . . . . 96 TRP H . 52417 1 787 . 1 . 1 96 96 TRP HA H 1 4.110 0.02 . 1 . . . . . 96 TRP HA . 52417 1 788 . 1 . 1 96 96 TRP HB2 H 1 3.210 0.02 . . . . . . . 96 TRP HB2 . 52417 1 789 . 1 . 1 96 96 TRP HB3 H 1 3.140 0.02 . . . . . . . 96 TRP HB3 . 52417 1 790 . 1 . 1 96 96 TRP C C 13 172.613 0.30 . 1 . . . . . 96 TRP C . 52417 1 791 . 1 . 1 96 96 TRP CA C 13 53.671 0.30 . 1 . . . . . 96 TRP CA . 52417 1 792 . 1 . 1 96 96 TRP CB C 13 26.254 0.30 . 1 . . . . . 96 TRP CB . 52417 1 793 . 1 . 1 96 96 TRP N N 15 116.908 0.30 . 1 . . . . . 96 TRP N . 52417 1 794 . 1 . 1 97 97 ARG H H 1 7.778 0.02 . 1 . . . . . 97 ARG H . 52417 1 795 . 1 . 1 97 97 ARG HA H 1 4.490 0.02 . 1 . . . . . 97 ARG HA . 52417 1 796 . 1 . 1 97 97 ARG HB2 H 1 1.944 0.02 . . . . . . . 97 ARG HB2 . 52417 1 797 . 1 . 1 97 97 ARG HB3 H 1 1.793 0.02 . . . . . . . 97 ARG HB3 . 52417 1 798 . 1 . 1 97 97 ARG HG2 H 1 2.080 0.02 . . . . . . . 97 ARG HG2 . 52417 1 799 . 1 . 1 97 97 ARG HG3 H 1 2.080 0.02 . . . . . . . 97 ARG HG3 . 52417 1 800 . 1 . 1 97 97 ARG HD2 H 1 2.880 0.02 . . . . . . . 97 ARG HD2 . 52417 1 801 . 1 . 1 97 97 ARG HD3 H 1 2.460 0.02 . . . . . . . 97 ARG HD3 . 52417 1 802 . 1 . 1 97 97 ARG C C 13 172.340 0.30 . 1 . . . . . 97 ARG C . 52417 1 803 . 1 . 1 97 97 ARG CA C 13 53.148 0.30 . 1 . . . . . 97 ARG CA . 52417 1 804 . 1 . 1 97 97 ARG CB C 13 28.346 0.30 . 1 . . . . . 97 ARG CB . 52417 1 805 . 1 . 1 97 97 ARG CG C 13 27.020 0.30 . 1 . . . . . 97 ARG CG . 52417 1 806 . 1 . 1 97 97 ARG CD C 13 38.370 0.30 . 1 . . . . . 97 ARG CD . 52417 1 807 . 1 . 1 97 97 ARG N N 15 121.127 0.30 . 1 . . . . . 97 ARG N . 52417 1 808 . 1 . 1 98 98 HIS HA H 1 4.47 0.02 . 1 . . . . . 98 HIS HA . 52417 1 809 . 1 . 1 98 98 HIS HB2 H 1 3.870 0.02 . . . . . . . 98 HIS HB2 . 52417 1 810 . 1 . 1 98 98 HIS HB3 H 1 3.790 0.02 . . . . . . . 98 HIS HB3 . 52417 1 811 . 1 . 1 98 98 HIS C C 13 170.134 0.30 . 1 . . . . . 98 HIS C . 52417 1 812 . 1 . 1 98 98 HIS CA C 13 51.973 0.30 . 1 . . . . . 98 HIS CA . 52417 1 813 . 1 . 1 98 98 HIS CB C 13 28.631 0.30 . 1 . . . . . 98 HIS CB . 52417 1 814 . 1 . 1 99 99 TYR H H 1 7.822 0.02 . 1 . . . . . 99 TYR H . 52417 1 815 . 1 . 1 99 99 TYR HA H 1 4.560 0.02 . 1 . . . . . 99 TYR HA . 52417 1 816 . 1 . 1 99 99 TYR HB2 H 1 2.970 0.02 . . . . . . . 99 TYR HB2 . 52417 1 817 . 1 . 1 99 99 TYR C C 13 172.090 0.30 . 1 . . . . . 99 TYR C . 52417 1 818 . 1 . 1 99 99 TYR CA C 13 54.232 0.30 . 1 . . . . . 99 TYR CA . 52417 1 819 . 1 . 1 99 99 TYR CB C 13 37.086 0.30 . 1 . . . . . 99 TYR CB . 52417 1 820 . 1 . 1 99 99 TYR N N 15 118.892 0.30 . 1 . . . . . 99 TYR N . 52417 1 821 . 1 . 1 100 100 ILE H H 1 8.794 0.02 . 1 . . . . . 100 ILE H . 52417 1 822 . 1 . 1 100 100 ILE C C 13 172.181 0.30 . 1 . . . . . 100 ILE C . 52417 1 823 . 1 . 1 100 100 ILE CA C 13 54.187 0.30 . 1 . . . . . 100 ILE CA . 52417 1 824 . 1 . 1 100 100 ILE CB C 13 37.082 0.30 . 1 . . . . . 100 ILE CB . 52417 1 825 . 1 . 1 100 100 ILE N N 15 121.109 0.30 . 1 . . . . . 100 ILE N . 52417 1 826 . 1 . 1 101 101 GLU H H 1 8.524 0.02 . 1 . . . . . 101 GLU H . 52417 1 827 . 1 . 1 101 101 GLU HA H 1 5.202 0.02 . 1 . . . . . 101 GLU HA . 52417 1 828 . 1 . 1 101 101 GLU HB2 H 1 1.940 0.02 . . . . . . . 101 GLU HB2 . 52417 1 829 . 1 . 1 101 101 GLU HB3 H 1 2.050 0.02 . . . . . . . 101 GLU HB3 . 52417 1 830 . 1 . 1 101 101 GLU HG2 H 1 2.410 0.02 . . . . . . . 101 GLU HG2 . 52417 1 831 . 1 . 1 101 101 GLU C C 13 174.978 0.30 . 1 . . . . . 101 GLU C . 52417 1 832 . 1 . 1 101 101 GLU CA C 13 51.654 0.30 . 1 . . . . . 101 GLU CA . 52417 1 833 . 1 . 1 101 101 GLU CB C 13 30.886 0.30 . 1 . . . . . 101 GLU CB . 52417 1 834 . 1 . 1 101 101 GLU CG C 13 35.110 0.30 . 1 . . . . . 101 GLU CG . 52417 1 835 . 1 . 1 101 101 GLU N N 15 123.666 0.30 . 1 . . . . . 101 GLU N . 52417 1 836 . 1 . 1 102 102 GLY H H 1 8.606 0.02 . 1 . . . . . 102 GLY H . 52417 1 837 . 1 . 1 102 102 GLY HA2 H 1 4.330 0.02 . . . . . . . 102 GLY HA2 . 52417 1 838 . 1 . 1 102 102 GLY HA3 H 1 4.240 0.02 . . . . . . . 102 GLY HA3 . 52417 1 839 . 1 . 1 102 102 GLY C C 13 171.771 0.30 . 1 . . . . . 102 GLY C . 52417 1 840 . 1 . 1 102 102 GLY CA C 13 41.943 0.30 . 1 . . . . . 102 GLY CA . 52417 1 841 . 1 . 1 102 102 GLY N N 15 109.721 0.30 . 1 . . . . . 102 GLY N . 52417 1 842 . 1 . 1 103 103 GLY H H 1 8.575 0.02 . 1 . . . . . 103 GLY H . 52417 1 843 . 1 . 1 103 103 GLY HA2 H 1 4.080 0.02 . . . . . . . 103 GLY HA2 . 52417 1 844 . 1 . 1 103 103 GLY HA3 H 1 3.890 0.02 . . . . . . . 103 GLY HA3 . 52417 1 845 . 1 . 1 103 103 GLY C C 13 172.226 0.30 . 1 . . . . . 103 GLY C . 52417 1 846 . 1 . 1 103 103 GLY CA C 13 43.413 0.30 . 1 . . . . . 103 GLY CA . 52417 1 847 . 1 . 1 103 103 GLY N N 15 105.759 0.30 . 1 . . . . . 103 GLY N . 52417 1 848 . 1 . 1 104 104 GLY H H 1 7.255 0.02 . 1 . . . . . 104 GLY H . 52417 1 849 . 1 . 1 104 104 GLY HA2 H 1 4.070 0.02 . . . . . . . 104 GLY HA2 . 52417 1 850 . 1 . 1 104 104 GLY HA3 H 1 3.610 0.02 . . . . . . . 104 GLY HA3 . 52417 1 851 . 1 . 1 104 104 GLY C C 13 170.179 0.30 . 1 . . . . . 104 GLY C . 52417 1 852 . 1 . 1 104 104 GLY CA C 13 41.349 0.30 . 1 . . . . . 104 GLY CA . 52417 1 853 . 1 . 1 104 104 GLY N N 15 108.054 0.30 . 1 . . . . . 104 GLY N . 52417 1 854 . 1 . 1 105 105 THR H H 1 8.123 0.02 . 1 . . . . . 105 THR H . 52417 1 855 . 1 . 1 105 105 THR HA H 1 4.850 0.02 . 1 . . . . . 105 THR HA . 52417 1 856 . 1 . 1 105 105 THR HB H 1 3.710 0.02 . 1 . . . . . 105 THR HB . 52417 1 857 . 1 . 1 105 105 THR HG21 H 1 0.950 0.02 . 1 . . . . . 105 THR MG . 52417 1 858 . 1 . 1 105 105 THR HG22 H 1 0.950 0.02 . 1 . . . . . 105 THR MG . 52417 1 859 . 1 . 1 105 105 THR HG23 H 1 0.950 0.02 . 1 . . . . . 105 THR MG . 52417 1 860 . 1 . 1 105 105 THR C C 13 171.248 0.30 . 1 . . . . . 105 THR C . 52417 1 861 . 1 . 1 105 105 THR CA C 13 58.801 0.30 . 1 . . . . . 105 THR CA . 52417 1 862 . 1 . 1 105 105 THR CB C 13 69.957 0.30 . 1 . . . . . 105 THR CB . 52417 1 863 . 1 . 1 105 105 THR CG2 C 13 18.680 0.30 . 1 . . . . . 105 THR CG2 . 52417 1 864 . 1 . 1 105 105 THR N N 15 118.029 0.30 . 1 . . . . . 105 THR N . 52417 1 865 . 1 . 1 106 106 ILE H H 1 8.588 0.02 . 1 . . . . . 106 ILE H . 52417 1 866 . 1 . 1 106 106 ILE HA H 1 4.470 0.02 . 1 . . . . . 106 ILE HA . 52417 1 867 . 1 . 1 106 106 ILE HB H 1 1.850 0.02 . 1 . . . . . 106 ILE HB . 52417 1 868 . 1 . 1 106 106 ILE C C 13 171.840 0.30 . 1 . . . . . 106 ILE C . 52417 1 869 . 1 . 1 106 106 ILE CA C 13 58.960 0.30 . 1 . . . . . 106 ILE CA . 52417 1 870 . 1 . 1 106 106 ILE CB C 13 32.730 0.30 . 1 . . . . . 106 ILE CB . 52417 1 871 . 1 . 1 106 106 ILE N N 15 128.430 0.30 . 1 . . . . . 106 ILE N . 52417 1 872 . 1 . 1 107 107 LEU H H 1 9.501 0.02 . 1 . . . . . 107 LEU H . 52417 1 873 . 1 . 1 107 107 LEU HA H 1 4.230 0.02 . 1 . . . . . 107 LEU HA . 52417 1 874 . 1 . 1 107 107 LEU HB2 H 1 2.210 0.02 . . . . . . . 107 LEU HB2 . 52417 1 875 . 1 . 1 107 107 LEU HG H 1 1.570 0.02 . 1 . . . . . 107 LEU HG . 52417 1 876 . 1 . 1 107 107 LEU HD11 H 1 1.130 0.02 . . . . . . . 107 LEU MD1 . 52417 1 877 . 1 . 1 107 107 LEU HD12 H 1 1.130 0.02 . . . . . . . 107 LEU MD1 . 52417 1 878 . 1 . 1 107 107 LEU HD13 H 1 1.130 0.02 . . . . . . . 107 LEU MD1 . 52417 1 879 . 1 . 1 107 107 LEU HD21 H 1 1.240 0.02 . . . . . . . 107 LEU MD2 . 52417 1 880 . 1 . 1 107 107 LEU HD22 H 1 1.240 0.02 . . . . . . . 107 LEU MD2 . 52417 1 881 . 1 . 1 107 107 LEU HD23 H 1 1.240 0.02 . . . . . . . 107 LEU MD2 . 52417 1 882 . 1 . 1 107 107 LEU CA C 13 50.910 0.30 . 1 . . . . . 107 LEU CA . 52417 1 883 . 1 . 1 107 107 LEU CB C 13 40.630 0.30 . 1 . . . . . 107 LEU CB . 52417 1 884 . 1 . 1 107 107 LEU CG C 13 29.520 0.30 . 1 . . . . . 107 LEU CG . 52417 1 885 . 1 . 1 107 107 LEU CD1 C 13 24.770 0.30 . . . . . . . 107 LEU CD1 . 52417 1 886 . 1 . 1 107 107 LEU CD2 C 13 23.960 0.30 . . . . . . . 107 LEU CD2 . 52417 1 887 . 1 . 1 107 107 LEU N N 15 131.740 0.30 . 1 . . . . . 107 LEU N . 52417 1 888 . 1 . 1 108 108 THR H H 1 8.587 0.02 . 1 . . . . . 108 THR H . 52417 1 889 . 1 . 1 108 108 THR HA H 1 4.330 0.02 . 1 . . . . . 108 THR HA . 52417 1 890 . 1 . 1 108 108 THR HB H 1 4.110 0.02 . 1 . . . . . 108 THR HB . 52417 1 891 . 1 . 1 108 108 THR HG21 H 1 1.120 0.02 . 1 . . . . . 108 THR MG . 52417 1 892 . 1 . 1 108 108 THR HG22 H 1 1.120 0.02 . 1 . . . . . 108 THR MG . 52417 1 893 . 1 . 1 108 108 THR HG23 H 1 1.120 0.02 . 1 . . . . . 108 THR MG . 52417 1 894 . 1 . 1 108 108 THR C C 13 169.111 0.30 . 1 . . . . . 108 THR C . 52417 1 895 . 1 . 1 108 108 THR CA C 13 60.245 0.30 . 1 . . . . . 108 THR CA . 52417 1 896 . 1 . 1 108 108 THR CB C 13 67.641 0.30 . 1 . . . . . 108 THR CB . 52417 1 897 . 1 . 1 108 108 THR CG2 C 13 18.070 0.30 . 1 . . . . . 108 THR CG2 . 52417 1 898 . 1 . 1 108 108 THR N N 15 125.365 0.30 . 1 . . . . . 108 THR N . 52417 1 899 . 1 . 1 109 109 VAL H H 1 8.227 0.02 . 1 . . . . . 109 VAL H . 52417 1 900 . 1 . 1 109 109 VAL HA H 1 4.704 0.02 . 1 . . . . . 109 VAL HA . 52417 1 901 . 1 . 1 109 109 VAL HB H 1 1.804 0.02 . 1 . . . . . 109 VAL HB . 52417 1 902 . 1 . 1 109 109 VAL HG11 H 1 0.320 0.02 . . . . . . . 109 VAL MG1 . 52417 1 903 . 1 . 1 109 109 VAL HG12 H 1 0.320 0.02 . . . . . . . 109 VAL MG1 . 52417 1 904 . 1 . 1 109 109 VAL HG13 H 1 0.320 0.02 . . . . . . . 109 VAL MG1 . 52417 1 905 . 1 . 1 109 109 VAL HG21 H 1 0.680 0.02 . . . . . . . 109 VAL MG2 . 52417 1 906 . 1 . 1 109 109 VAL HG22 H 1 0.680 0.02 . . . . . . . 109 VAL MG2 . 52417 1 907 . 1 . 1 109 109 VAL HG23 H 1 0.680 0.02 . . . . . . . 109 VAL MG2 . 52417 1 908 . 1 . 1 109 109 VAL C C 13 169.144 0.30 . 1 . . . . . 109 VAL C . 52417 1 909 . 1 . 1 109 109 VAL CA C 13 57.515 0.30 . 1 . . . . . 109 VAL CA . 52417 1 910 . 1 . 1 109 109 VAL CB C 13 29.975 0.30 . 1 . . . . . 109 VAL CB . 52417 1 911 . 1 . 1 109 109 VAL CG1 C 13 17.460 0.30 . . . . . . . 109 VAL CG1 . 52417 1 912 . 1 . 1 109 109 VAL CG2 C 13 19.150 0.30 . . . . . . . 109 VAL CG2 . 52417 1 913 . 1 . 1 109 109 VAL N N 15 127.172 0.30 . 1 . . . . . 109 VAL N . 52417 1 914 . 1 . 1 110 110 LYS H H 1 8.666 0.02 . 1 . . . . . 110 LYS H . 52417 1 915 . 1 . 1 110 110 LYS HA H 1 4.360 0.02 . 1 . . . . . 110 LYS HA . 52417 1 916 . 1 . 1 110 110 LYS HB2 H 1 1.550 0.02 . . . . . . . 110 LYS HB2 . 52417 1 917 . 1 . 1 110 110 LYS HB3 H 1 1.701 0.02 . . . . . . . 110 LYS HB3 . 52417 1 918 . 1 . 1 110 110 LYS HG2 H 1 1.280 0.02 . . . . . . . 110 LYS HG2 . 52417 1 919 . 1 . 1 110 110 LYS HD2 H 1 1.570 0.02 . . . . . . . 110 LYS HD2 . 52417 1 920 . 1 . 1 110 110 LYS HE2 H 1 2.830 0.02 . . . . . . . 110 LYS HE2 . 52417 1 921 . 1 . 1 110 110 LYS C C 13 172.454 0.30 . 1 . . . . . 110 LYS C . 52417 1 922 . 1 . 1 110 110 LYS CA C 13 51.803 0.30 . 1 . . . . . 110 LYS CA . 52417 1 923 . 1 . 1 110 110 LYS CB C 13 31.409 0.30 . 1 . . . . . 110 LYS CB . 52417 1 924 . 1 . 1 110 110 LYS CG C 13 21.570 0.30 . 1 . . . . . 110 LYS CG . 52417 1 925 . 1 . 1 110 110 LYS CD C 13 26.340 0.30 . 1 . . . . . 110 LYS CD . 52417 1 926 . 1 . 1 110 110 LYS CE C 13 39.470 0.30 . 1 . . . . . 110 LYS CE . 52417 1 927 . 1 . 1 110 110 LYS N N 15 126.404 0.30 . 1 . . . . . 110 LYS N . 52417 1 stop_ save_