data_27524 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27524 _Entry.Title ; Sequence specific 1H, 13C and 15N resonance assignments of the C-terminal domain of human Gamma S-Crystallin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-22 _Entry.Accession_date 2018-06-22 _Entry.Last_release_date 2018-06-22 _Entry.Original_release_date 2018-06-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'C-terminal domain of human Gamma S-Crystallin' _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 Jishan 'Khandekar Bari' . . . . 27524 2 Shrikant Sharma . . . . 27524 3 'Kandala V.R.' Chary . . . . 27524 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27524 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 323 27524 '15N chemical shifts' 89 27524 '1H chemical shifts' 595 27524 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-04-11 2018-06-22 update BMRB 'update entry citation' 27524 1 . . 2018-06-25 2018-06-22 original author 'original release' 27524 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27524 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30232732 _Citation.Full_citation . _Citation.Title ; Sequence specific 1H, 13C and 15N resonance assignments of the C-terminal domain of human Gamma S-crystallin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 43 _Citation.Page_last 47 _Citation.Year 2019 _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 Jishan 'Khandekar Bari' . . . . 27524 1 2 Shrikant Sharma . . . . 27524 1 3 'Kandala V.R.' Chary . . . . 27524 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27524 _Assembly.ID 1 _Assembly.Name 'C terminal domain of Human Gamma S Crystallin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C terminal domain of Human Gamma S Crystallin' 1 $C_terminal_domain_of_Human_Gamma_S_Crystallin A . yes native no no . . . 27524 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C_terminal_domain_of_Human_Gamma_S_Crystallin _Entity.Sf_category entity _Entity.Sf_framecode C_terminal_domain_of_Human_Gamma_S_Crystallin _Entity.Entry_ID 27524 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C_terminal_domain_of_Human_Gamma_S_Crystallin _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 ; GGQYKIQIFEKGDFSGQMYE TTEDCPSIMEQFHMREIHSC KVLEGVWIFYELPNYRGRQY LLDKKEYRKPIDWGAASPAV QSFRRIVE ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 27524 1 2 2 GLY . 27524 1 3 3 GLN . 27524 1 4 4 TYR . 27524 1 5 5 LYS . 27524 1 6 6 ILE . 27524 1 7 7 GLN . 27524 1 8 8 ILE . 27524 1 9 9 PHE . 27524 1 10 10 GLU . 27524 1 11 11 LYS . 27524 1 12 12 GLY . 27524 1 13 13 ASP . 27524 1 14 14 PHE . 27524 1 15 15 SER . 27524 1 16 16 GLY . 27524 1 17 17 GLN . 27524 1 18 18 MET . 27524 1 19 19 TYR . 27524 1 20 20 GLU . 27524 1 21 21 THR . 27524 1 22 22 THR . 27524 1 23 23 GLU . 27524 1 24 24 ASP . 27524 1 25 25 CYS . 27524 1 26 26 PRO . 27524 1 27 27 SER . 27524 1 28 28 ILE . 27524 1 29 29 MET . 27524 1 30 30 GLU . 27524 1 31 31 GLN . 27524 1 32 32 PHE . 27524 1 33 33 HIS . 27524 1 34 34 MET . 27524 1 35 35 ARG . 27524 1 36 36 GLU . 27524 1 37 37 ILE . 27524 1 38 38 HIS . 27524 1 39 39 SER . 27524 1 40 40 CYS . 27524 1 41 41 LYS . 27524 1 42 42 VAL . 27524 1 43 43 LEU . 27524 1 44 44 GLU . 27524 1 45 45 GLY . 27524 1 46 46 VAL . 27524 1 47 47 TRP . 27524 1 48 48 ILE . 27524 1 49 49 PHE . 27524 1 50 50 TYR . 27524 1 51 51 GLU . 27524 1 52 52 LEU . 27524 1 53 53 PRO . 27524 1 54 54 ASN . 27524 1 55 55 TYR . 27524 1 56 56 ARG . 27524 1 57 57 GLY . 27524 1 58 58 ARG . 27524 1 59 59 GLN . 27524 1 60 60 TYR . 27524 1 61 61 LEU . 27524 1 62 62 LEU . 27524 1 63 63 ASP . 27524 1 64 64 LYS . 27524 1 65 65 LYS . 27524 1 66 66 GLU . 27524 1 67 67 TYR . 27524 1 68 68 ARG . 27524 1 69 69 LYS . 27524 1 70 70 PRO . 27524 1 71 71 ILE . 27524 1 72 72 ASP . 27524 1 73 73 TRP . 27524 1 74 74 GLY . 27524 1 75 75 ALA . 27524 1 76 76 ALA . 27524 1 77 77 SER . 27524 1 78 78 PRO . 27524 1 79 79 ALA . 27524 1 80 80 VAL . 27524 1 81 81 GLN . 27524 1 82 82 SER . 27524 1 83 83 PHE . 27524 1 84 84 ARG . 27524 1 85 85 ARG . 27524 1 86 86 ILE . 27524 1 87 87 VAL . 27524 1 88 88 GLU . 27524 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 . GLY 1 1 27524 1 . GLY 2 2 27524 1 . GLN 3 3 27524 1 . TYR 4 4 27524 1 . LYS 5 5 27524 1 . ILE 6 6 27524 1 . GLN 7 7 27524 1 . ILE 8 8 27524 1 . PHE 9 9 27524 1 . GLU 10 10 27524 1 . LYS 11 11 27524 1 . GLY 12 12 27524 1 . ASP 13 13 27524 1 . PHE 14 14 27524 1 . SER 15 15 27524 1 . GLY 16 16 27524 1 . GLN 17 17 27524 1 . MET 18 18 27524 1 . TYR 19 19 27524 1 . GLU 20 20 27524 1 . THR 21 21 27524 1 . THR 22 22 27524 1 . GLU 23 23 27524 1 . ASP 24 24 27524 1 . CYS 25 25 27524 1 . PRO 26 26 27524 1 . SER 27 27 27524 1 . ILE 28 28 27524 1 . MET 29 29 27524 1 . GLU 30 30 27524 1 . GLN 31 31 27524 1 . PHE 32 32 27524 1 . HIS 33 33 27524 1 . MET 34 34 27524 1 . ARG 35 35 27524 1 . GLU 36 36 27524 1 . ILE 37 37 27524 1 . HIS 38 38 27524 1 . SER 39 39 27524 1 . CYS 40 40 27524 1 . LYS 41 41 27524 1 . VAL 42 42 27524 1 . LEU 43 43 27524 1 . GLU 44 44 27524 1 . GLY 45 45 27524 1 . VAL 46 46 27524 1 . TRP 47 47 27524 1 . ILE 48 48 27524 1 . PHE 49 49 27524 1 . TYR 50 50 27524 1 . GLU 51 51 27524 1 . LEU 52 52 27524 1 . PRO 53 53 27524 1 . ASN 54 54 27524 1 . TYR 55 55 27524 1 . ARG 56 56 27524 1 . GLY 57 57 27524 1 . ARG 58 58 27524 1 . GLN 59 59 27524 1 . TYR 60 60 27524 1 . LEU 61 61 27524 1 . LEU 62 62 27524 1 . ASP 63 63 27524 1 . LYS 64 64 27524 1 . LYS 65 65 27524 1 . GLU 66 66 27524 1 . TYR 67 67 27524 1 . ARG 68 68 27524 1 . LYS 69 69 27524 1 . PRO 70 70 27524 1 . ILE 71 71 27524 1 . ASP 72 72 27524 1 . TRP 73 73 27524 1 . GLY 74 74 27524 1 . ALA 75 75 27524 1 . ALA 76 76 27524 1 . SER 77 77 27524 1 . PRO 78 78 27524 1 . ALA 79 79 27524 1 . VAL 80 80 27524 1 . GLN 81 81 27524 1 . SER 82 82 27524 1 . PHE 83 83 27524 1 . ARG 84 84 27524 1 . ARG 85 85 27524 1 . ILE 86 86 27524 1 . VAL 87 87 27524 1 . GLU 88 88 27524 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27524 _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 $C_terminal_domain_of_Human_Gamma_S_Crystallin . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27524 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27524 _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 $C_terminal_domain_of_Human_Gamma_S_Crystallin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-21a(+) . . . 27524 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27524 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C terminal domain of Human Gamma S Crystallin' '[U-99% 13C; U-99% 15N]' . . 1 $C_terminal_domain_of_Human_Gamma_S_Crystallin . . 1.5 . . mM . . . . 27524 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27524 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 27524 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 27524 1 pH 7.4 . pH 27524 1 pressure 1 . atm 27524 1 temperature 298 . K 27524 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27524 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27524 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27524 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27524 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27524 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27524 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27524 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27524 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27524 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27524 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27524 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27524 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27524 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27524 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27524 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27524 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27524 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27524 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27524 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27524 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27524 1 2 '3D HNCO' . . . 27524 1 3 '3D C(CO)NH' . . . 27524 1 4 '3D CBCA(CO)NH' . . . 27524 1 5 '3D HNCACB' . . . 27524 1 6 '3D H(CCO)NH' . . . 27524 1 7 '3D 1H-15N NOESY' . . . 27524 1 8 '3D HN(CA)CO' . . . 27524 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.651 0.02 . 1 . . . . . 1 GLY H . 27524 1 2 . 1 1 1 1 GLY HA2 H 1 4.02 0.02 . 1 . . . . . 1 GLY HA2 . 27524 1 3 . 1 1 1 1 GLY HA3 H 1 3.864 0.02 . 1 . . . . . 1 GLY HA3 . 27524 1 4 . 1 1 1 1 GLY C C 13 173.19 0.3 . 1 . . . . . 1 GLY C . 27524 1 5 . 1 1 1 1 GLY CA C 13 44.644 0.3 . 1 . . . . . 1 GLY CA . 27524 1 6 . 1 1 1 1 GLY N N 15 113.918 0.3 . 1 . . . . . 1 GLY N . 27524 1 7 . 1 1 2 2 GLY H H 1 8.415 0.02 . 1 . . . . . 2 GLY H . 27524 1 8 . 1 1 2 2 GLY HA2 H 1 3.801 0.02 . 1 . . . . . 2 GLY HA2 . 27524 1 9 . 1 1 2 2 GLY HA3 H 1 3.788 0.02 . 1 . . . . . 2 GLY HA3 . 27524 1 10 . 1 1 2 2 GLY C C 13 173.34 0.3 . 1 . . . . . 2 GLY C . 27524 1 11 . 1 1 2 2 GLY CA C 13 45.683 0.3 . 1 . . . . . 2 GLY CA . 27524 1 12 . 1 1 2 2 GLY N N 15 109.831 0.3 . 1 . . . . . 2 GLY N . 27524 1 13 . 1 1 3 3 GLN H H 1 7.896 0.02 . 1 . . . . . 3 GLN H . 27524 1 14 . 1 1 3 3 GLN HA H 1 4.62 0.02 . 1 . . . . . 3 GLN HA . 27524 1 15 . 1 1 3 3 GLN HB2 H 1 1.733 0.02 . 1 . . . . . 3 GLN HB2 . 27524 1 16 . 1 1 3 3 GLN HB3 H 1 1.715 0.02 . 1 . . . . . 3 GLN HB3 . 27524 1 17 . 1 1 3 3 GLN HG2 H 1 2.278 0.02 . 1 . . . . . 3 GLN HG2 . 27524 1 18 . 1 1 3 3 GLN HG3 H 1 2.255 0.02 . 1 . . . . . 3 GLN HG3 . 27524 1 19 . 1 1 3 3 GLN HE21 H 1 7.56 0.02 . 1 . . . . . 3 GLN HE21 . 27524 1 20 . 1 1 3 3 GLN HE22 H 1 6.823 0.02 . 1 . . . . . 3 GLN HE22 . 27524 1 21 . 1 1 3 3 GLN C C 13 174.072 0.3 . 1 . . . . . 3 GLN C . 27524 1 22 . 1 1 3 3 GLN CA C 13 55.984 0.3 . 1 . . . . . 3 GLN CA . 27524 1 23 . 1 1 3 3 GLN CB C 13 30.564 0.3 . 1 . . . . . 3 GLN CB . 27524 1 24 . 1 1 3 3 GLN CG C 13 37.407 0.3 . 1 . . . . . 3 GLN CG . 27524 1 25 . 1 1 3 3 GLN N N 15 118.993 0.3 . 1 . . . . . 3 GLN N . 27524 1 26 . 1 1 3 3 GLN NE2 N 15 112.958 0.3 . 1 . . . . . 3 GLN NE2 . 27524 1 27 . 1 1 4 4 TYR H H 1 8.704 0.02 . 1 . . . . . 4 TYR H . 27524 1 28 . 1 1 4 4 TYR HA H 1 4.725 0.02 . 1 . . . . . 4 TYR HA . 27524 1 29 . 1 1 4 4 TYR HB2 H 1 3.251 0.02 . 1 . . . . . 4 TYR HB2 . 27524 1 30 . 1 1 4 4 TYR HB3 H 1 3.158 0.02 . 1 . . . . . 4 TYR HB3 . 27524 1 31 . 1 1 4 4 TYR HD1 H 1 6.787 0.02 . 1 . . . . . 4 TYR HD1 . 27524 1 32 . 1 1 4 4 TYR HE1 H 1 6.891 0.02 . 1 . . . . . 4 TYR HE1 . 27524 1 33 . 1 1 4 4 TYR C C 13 173.061 0.3 . 1 . . . . . 4 TYR C . 27524 1 34 . 1 1 4 4 TYR CA C 13 60.142 0.3 . 1 . . . . . 4 TYR CA . 27524 1 35 . 1 1 4 4 TYR CB C 13 41.053 0.3 . 1 . . . . . 4 TYR CB . 27524 1 36 . 1 1 4 4 TYR N N 15 116.046 0.3 . 1 . . . . . 4 TYR N . 27524 1 37 . 1 1 5 5 LYS HA H 1 4.836 0.02 . 1 . . . . . 5 LYS HA . 27524 1 38 . 1 1 5 5 LYS HB2 H 1 1.971 0.02 . 1 . . . . . 5 LYS HB2 . 27524 1 39 . 1 1 5 5 LYS HB3 H 1 1.466 0.02 . 1 . . . . . 5 LYS HB3 . 27524 1 40 . 1 1 5 5 LYS HG2 H 1 1.344 0.02 . 1 . . . . . 5 LYS HG2 . 27524 1 41 . 1 1 5 5 LYS HG3 H 1 1.326 0.02 . 1 . . . . . 5 LYS HG3 . 27524 1 42 . 1 1 5 5 LYS HD2 H 1 1.525 0.02 . 1 . . . . . 5 LYS HD2 . 27524 1 43 . 1 1 5 5 LYS HD3 H 1 1.473 0.02 . 1 . . . . . 5 LYS HD3 . 27524 1 44 . 1 1 5 5 LYS HE2 H 1 2.927 0.02 . 1 . . . . . 5 LYS HE2 . 27524 1 45 . 1 1 5 5 LYS C C 13 173.063 0.3 . 1 . . . . . 5 LYS C . 27524 1 46 . 1 1 5 5 LYS CA C 13 58.826 0.3 . 1 . . . . . 5 LYS CA . 27524 1 47 . 1 1 5 5 LYS CB C 13 35.7 0.3 . 1 . . . . . 5 LYS CB . 27524 1 48 . 1 1 5 5 LYS CG C 13 25.688 0.3 . 1 . . . . . 5 LYS CG . 27524 1 49 . 1 1 5 5 LYS CD C 13 30.345 0.3 . 1 . . . . . 5 LYS CD . 27524 1 50 . 1 1 5 5 LYS CE C 13 41.154 0.3 . 1 . . . . . 5 LYS CE . 27524 1 51 . 1 1 6 6 ILE H H 1 8.797 0.02 . 1 . . . . . 6 ILE H . 27524 1 52 . 1 1 6 6 ILE HA H 1 3.648 0.02 . 1 . . . . . 6 ILE HA . 27524 1 53 . 1 1 6 6 ILE HB H 1 1.155 0.02 . 1 . . . . . 6 ILE HB . 27524 1 54 . 1 1 6 6 ILE HG12 H 1 1.395 0.02 . 1 . . . . . 6 ILE HG12 . 27524 1 55 . 1 1 6 6 ILE HG13 H 1 1.207 0.02 . 1 . . . . . 6 ILE HG13 . 27524 1 56 . 1 1 6 6 ILE HG21 H 1 1.091 0.02 . 1 . . . . . 6 ILE HG2 . 27524 1 57 . 1 1 6 6 ILE HG22 H 1 1.091 0.02 . 1 . . . . . 6 ILE HG2 . 27524 1 58 . 1 1 6 6 ILE HG23 H 1 1.091 0.02 . 1 . . . . . 6 ILE HG2 . 27524 1 59 . 1 1 6 6 ILE HD11 H 1 0.715 0.02 . 1 . . . . . 6 ILE HD1 . 27524 1 60 . 1 1 6 6 ILE HD12 H 1 0.715 0.02 . 1 . . . . . 6 ILE HD1 . 27524 1 61 . 1 1 6 6 ILE HD13 H 1 0.715 0.02 . 1 . . . . . 6 ILE HD1 . 27524 1 62 . 1 1 6 6 ILE C C 13 172.673 0.3 . 1 . . . . . 6 ILE C . 27524 1 63 . 1 1 6 6 ILE CA C 13 59.953 0.3 . 1 . . . . . 6 ILE CA . 27524 1 64 . 1 1 6 6 ILE CB C 13 43.132 0.3 . 1 . . . . . 6 ILE CB . 27524 1 65 . 1 1 6 6 ILE CG1 C 13 27.756 0.3 . 1 . . . . . 6 ILE CG1 . 27524 1 66 . 1 1 6 6 ILE CG2 C 13 17.235 0.3 . 1 . . . . . 6 ILE CG2 . 27524 1 67 . 1 1 6 6 ILE CD1 C 13 14.403 0.3 . 1 . . . . . 6 ILE CD1 . 27524 1 68 . 1 1 6 6 ILE N N 15 128.098 0.3 . 1 . . . . . 6 ILE N . 27524 1 69 . 1 1 7 7 GLN H H 1 7.745 0.02 . 1 . . . . . 7 GLN H . 27524 1 70 . 1 1 7 7 GLN HA H 1 4.593 0.02 . 1 . . . . . 7 GLN HA . 27524 1 71 . 1 1 7 7 GLN HB2 H 1 2.438 0.02 . 1 . . . . . 7 GLN HB2 . 27524 1 72 . 1 1 7 7 GLN HB3 H 1 1.741 0.02 . 1 . . . . . 7 GLN HB3 . 27524 1 73 . 1 1 7 7 GLN HG2 H 1 2.683 0.02 . 1 . . . . . 7 GLN HG2 . 27524 1 74 . 1 1 7 7 GLN HG3 H 1 2.536 0.02 . 1 . . . . . 7 GLN HG3 . 27524 1 75 . 1 1 7 7 GLN HE21 H 1 7.883 0.02 . 1 . . . . . 7 GLN HE21 . 27524 1 76 . 1 1 7 7 GLN HE22 H 1 6.289 0.02 . 1 . . . . . 7 GLN HE22 . 27524 1 77 . 1 1 7 7 GLN C C 13 174.352 0.3 . 1 . . . . . 7 GLN C . 27524 1 78 . 1 1 7 7 GLN CA C 13 54.944 0.3 . 1 . . . . . 7 GLN CA . 27524 1 79 . 1 1 7 7 GLN CB C 13 34.438 0.3 . 1 . . . . . 7 GLN CB . 27524 1 80 . 1 1 7 7 GLN CG C 13 36.734 0.3 . 1 . . . . . 7 GLN CG . 27524 1 81 . 1 1 7 7 GLN N N 15 115.39 0.3 . 1 . . . . . 7 GLN N . 27524 1 82 . 1 1 7 7 GLN NE2 N 15 109.268 0.3 . 1 . . . . . 7 GLN NE2 . 27524 1 83 . 1 1 8 8 ILE H H 1 7.056 0.02 . 1 . . . . . 8 ILE H . 27524 1 84 . 1 1 8 8 ILE HA H 1 4.657 0.02 . 1 . . . . . 8 ILE HA . 27524 1 85 . 1 1 8 8 ILE HB H 1 1.628 0.02 . 1 . . . . . 8 ILE HB . 27524 1 86 . 1 1 8 8 ILE HG12 H 1 1.486 0.02 . 1 . . . . . 8 ILE HG12 . 27524 1 87 . 1 1 8 8 ILE HG13 H 1 1.278 0.02 . 1 . . . . . 8 ILE HG13 . 27524 1 88 . 1 1 8 8 ILE HG21 H 1 0.95 0.02 . 1 . . . . . 8 ILE HG2 . 27524 1 89 . 1 1 8 8 ILE HG22 H 1 0.95 0.02 . 1 . . . . . 8 ILE HG2 . 27524 1 90 . 1 1 8 8 ILE HG23 H 1 0.95 0.02 . 1 . . . . . 8 ILE HG2 . 27524 1 91 . 1 1 8 8 ILE HD11 H 1 0.886 0.02 . 1 . . . . . 8 ILE HD1 . 27524 1 92 . 1 1 8 8 ILE HD12 H 1 0.886 0.02 . 1 . . . . . 8 ILE HD1 . 27524 1 93 . 1 1 8 8 ILE HD13 H 1 0.886 0.02 . 1 . . . . . 8 ILE HD1 . 27524 1 94 . 1 1 8 8 ILE C C 13 178.354 0.3 . 1 . . . . . 8 ILE C . 27524 1 95 . 1 1 8 8 ILE CA C 13 61.559 0.3 . 1 . . . . . 8 ILE CA . 27524 1 96 . 1 1 8 8 ILE CB C 13 37.935 0.3 . 1 . . . . . 8 ILE CB . 27524 1 97 . 1 1 8 8 ILE CG1 C 13 25.986 0.3 . 1 . . . . . 8 ILE CG1 . 27524 1 98 . 1 1 8 8 ILE CG2 C 13 18.658 0.3 . 1 . . . . . 8 ILE CG2 . 27524 1 99 . 1 1 8 8 ILE CD1 C 13 13.947 0.3 . 1 . . . . . 8 ILE CD1 . 27524 1 100 . 1 1 8 8 ILE N N 15 113.801 0.3 . 1 . . . . . 8 ILE N . 27524 1 101 . 1 1 9 9 PHE H H 1 7.986 0.02 . 1 . . . . . 9 PHE H . 27524 1 102 . 1 1 9 9 PHE HA H 1 5.411 0.02 . 1 . . . . . 9 PHE HA . 27524 1 103 . 1 1 9 9 PHE HB2 H 1 3.342 0.02 . 1 . . . . . 9 PHE HB2 . 27524 1 104 . 1 1 9 9 PHE HB3 H 1 3.244 0.02 . 1 . . . . . 9 PHE HB3 . 27524 1 105 . 1 1 9 9 PHE HD1 H 1 6.829 0.02 . 1 . . . . . 9 PHE HD1 . 27524 1 106 . 1 1 9 9 PHE HE1 H 1 7.216 0.02 . 1 . . . . . 9 PHE HE1 . 27524 1 107 . 1 1 9 9 PHE HZ H 1 7.165 0.02 . 1 . . . . . 9 PHE HZ . 27524 1 108 . 1 1 9 9 PHE C C 13 176.03 0.3 . 1 . . . . . 9 PHE C . 27524 1 109 . 1 1 9 9 PHE CA C 13 57.496 0.3 . 1 . . . . . 9 PHE CA . 27524 1 110 . 1 1 9 9 PHE CB C 13 41.998 0.3 . 1 . . . . . 9 PHE CB . 27524 1 111 . 1 1 9 9 PHE N N 15 117.223 0.3 . 1 . . . . . 9 PHE N . 27524 1 112 . 1 1 10 10 GLU H H 1 8.734 0.02 . 1 . . . . . 10 GLU H . 27524 1 113 . 1 1 10 10 GLU HA H 1 4.273 0.02 . 1 . . . . . 10 GLU HA . 27524 1 114 . 1 1 10 10 GLU HB2 H 1 2.231 0.02 . 1 . . . . . 10 GLU HB2 . 27524 1 115 . 1 1 10 10 GLU HB3 H 1 2.194 0.02 . 1 . . . . . 10 GLU HB3 . 27524 1 116 . 1 1 10 10 GLU HG2 H 1 2.378 0.02 . 1 . . . . . 10 GLU HG2 . 27524 1 117 . 1 1 10 10 GLU HG3 H 1 2.346 0.02 . 1 . . . . . 10 GLU HG3 . 27524 1 118 . 1 1 10 10 GLU C C 13 175.557 0.3 . 1 . . . . . 10 GLU C . 27524 1 119 . 1 1 10 10 GLU CA C 13 57.685 0.3 . 1 . . . . . 10 GLU CA . 27524 1 120 . 1 1 10 10 GLU CB C 13 33.682 0.3 . 1 . . . . . 10 GLU CB . 27524 1 121 . 1 1 10 10 GLU CG C 13 35.888 0.3 . 1 . . . . . 10 GLU CG . 27524 1 122 . 1 1 10 10 GLU N N 15 120.594 0.3 . 1 . . . . . 10 GLU N . 27524 1 123 . 1 1 11 11 LYS H H 1 7.73 0.02 . 1 . . . . . 11 LYS H . 27524 1 124 . 1 1 11 11 LYS HA H 1 4.422 0.02 . 1 . . . . . 11 LYS HA . 27524 1 125 . 1 1 11 11 LYS HB2 H 1 1.692 0.02 . 1 . . . . . 11 LYS HB2 . 27524 1 126 . 1 1 11 11 LYS HB3 H 1 1.643 0.02 . 1 . . . . . 11 LYS HB3 . 27524 1 127 . 1 1 11 11 LYS HG2 H 1 1.361 0.02 . 1 . . . . . 11 LYS HG2 . 27524 1 128 . 1 1 11 11 LYS HG3 H 1 1.3 0.02 . 1 . . . . . 11 LYS HG3 . 27524 1 129 . 1 1 11 11 LYS HD2 H 1 1.422 0.02 . 1 . . . . . 11 LYS HD2 . 27524 1 130 . 1 1 11 11 LYS HD3 H 1 1.394 0.02 . 1 . . . . . 11 LYS HD3 . 27524 1 131 . 1 1 11 11 LYS HE2 H 1 3.345 0.02 . 1 . . . . . 11 LYS HE2 . 27524 1 132 . 1 1 11 11 LYS HE3 H 1 3.234 0.02 . 1 . . . . . 11 LYS HE3 . 27524 1 133 . 1 1 11 11 LYS C C 13 175.901 0.3 . 1 . . . . . 11 LYS C . 27524 1 134 . 1 1 11 11 LYS CA C 13 54.661 0.3 . 1 . . . . . 11 LYS CA . 27524 1 135 . 1 1 11 11 LYS CB C 13 36.328 0.3 . 1 . . . . . 11 LYS CB . 27524 1 136 . 1 1 11 11 LYS CG C 13 26.284 0.3 . 1 . . . . . 11 LYS CG . 27524 1 137 . 1 1 11 11 LYS CD C 13 31.643 0.3 . 1 . . . . . 11 LYS CD . 27524 1 138 . 1 1 11 11 LYS N N 15 112.364 0.3 . 1 . . . . . 11 LYS N . 27524 1 139 . 1 1 12 12 GLY H H 1 8.474 0.02 . 1 . . . . . 12 GLY H . 27524 1 140 . 1 1 12 12 GLY HA2 H 1 4.398 0.02 . 1 . . . . . 12 GLY HA2 . 27524 1 141 . 1 1 12 12 GLY HA3 H 1 3.72 0.02 . 1 . . . . . 12 GLY HA3 . 27524 1 142 . 1 1 12 12 GLY C C 13 173.168 0.3 . 1 . . . . . 12 GLY C . 27524 1 143 . 1 1 12 12 GLY CA C 13 45.305 0.3 . 1 . . . . . 12 GLY CA . 27524 1 144 . 1 1 12 12 GLY N N 15 106.424 0.3 . 1 . . . . . 12 GLY N . 27524 1 145 . 1 1 13 13 ASP H H 1 9.046 0.02 . 1 . . . . . 13 ASP H . 27524 1 146 . 1 1 13 13 ASP HA H 1 3.053 0.02 . 1 . . . . . 13 ASP HA . 27524 1 147 . 1 1 13 13 ASP HB2 H 1 2.642 0.02 . 1 . . . . . 13 ASP HB2 . 27524 1 148 . 1 1 13 13 ASP HB3 H 1 2.478 0.02 . 1 . . . . . 13 ASP HB3 . 27524 1 149 . 1 1 13 13 ASP C C 13 173.878 0.3 . 1 . . . . . 13 ASP C . 27524 1 150 . 1 1 13 13 ASP CA C 13 56.551 0.3 . 1 . . . . . 13 ASP CA . 27524 1 151 . 1 1 13 13 ASP CB C 13 39.541 0.3 . 1 . . . . . 13 ASP CB . 27524 1 152 . 1 1 13 13 ASP N N 15 114.826 0.3 . 1 . . . . . 13 ASP N . 27524 1 153 . 1 1 14 14 PHE H H 1 7.767 0.02 . 1 . . . . . 14 PHE H . 27524 1 154 . 1 1 14 14 PHE HA H 1 4.065 0.02 . 1 . . . . . 14 PHE HA . 27524 1 155 . 1 1 14 14 PHE HB2 H 1 2.709 0.02 . 1 . . . . . 14 PHE HB2 . 27524 1 156 . 1 1 14 14 PHE HB3 H 1 2.252 0.02 . 1 . . . . . 14 PHE HB3 . 27524 1 157 . 1 1 14 14 PHE HD1 H 1 6.598 0.02 . 1 . . . . . 14 PHE HD1 . 27524 1 158 . 1 1 14 14 PHE HE1 H 1 6.846 0.02 . 1 . . . . . 14 PHE HE1 . 27524 1 159 . 1 1 14 14 PHE HZ H 1 6.735 0.02 . 1 . . . . . 14 PHE HZ . 27524 1 160 . 1 1 14 14 PHE C C 13 174.825 0.3 . 1 . . . . . 14 PHE C . 27524 1 161 . 1 1 14 14 PHE CA C 13 54.944 0.3 . 1 . . . . . 14 PHE CA . 27524 1 162 . 1 1 14 14 PHE CB C 13 34.06 0.3 . 1 . . . . . 14 PHE CB . 27524 1 163 . 1 1 14 14 PHE N N 15 111.676 0.3 . 1 . . . . . 14 PHE N . 27524 1 164 . 1 1 15 15 SER H H 1 6.399 0.02 . 1 . . . . . 15 SER H . 27524 1 165 . 1 1 15 15 SER HA H 1 4.804 0.02 . 1 . . . . . 15 SER HA . 27524 1 166 . 1 1 15 15 SER HB2 H 1 3.71 0.02 . 1 . . . . . 15 SER HB2 . 27524 1 167 . 1 1 15 15 SER HB3 H 1 3.628 0.02 . 1 . . . . . 15 SER HB3 . 27524 1 168 . 1 1 15 15 SER C C 13 172.587 0.3 . 1 . . . . . 15 SER C . 27524 1 169 . 1 1 15 15 SER CA C 13 57.779 0.3 . 1 . . . . . 15 SER CA . 27524 1 170 . 1 1 15 15 SER CB C 13 66.473 0.3 . 1 . . . . . 15 SER CB . 27524 1 171 . 1 1 15 15 SER N N 15 113.506 0.3 . 1 . . . . . 15 SER N . 27524 1 172 . 1 1 16 16 GLY H H 1 8.226 0.02 . 1 . . . . . 16 GLY H . 27524 1 173 . 1 1 16 16 GLY HA2 H 1 4.387 0.02 . 1 . . . . . 16 GLY HA2 . 27524 1 174 . 1 1 16 16 GLY HA3 H 1 3.783 0.02 . 1 . . . . . 16 GLY HA3 . 27524 1 175 . 1 1 16 16 GLY C C 13 172.974 0.3 . 1 . . . . . 16 GLY C . 27524 1 176 . 1 1 16 16 GLY CA C 13 44.738 0.3 . 1 . . . . . 16 GLY CA . 27524 1 177 . 1 1 16 16 GLY N N 15 105.761 0.3 . 1 . . . . . 16 GLY N . 27524 1 178 . 1 1 17 17 GLN H H 1 8.608 0.02 . 1 . . . . . 17 GLN H . 27524 1 179 . 1 1 17 17 GLN HB2 H 1 1.792 0.02 . 1 . . . . . 17 GLN HB2 . 27524 1 180 . 1 1 17 17 GLN HB3 H 1 1.738 0.02 . 1 . . . . . 17 GLN HB3 . 27524 1 181 . 1 1 17 17 GLN HG2 H 1 1.988 0.02 . 1 . . . . . 17 GLN HG2 . 27524 1 182 . 1 1 17 17 GLN HG3 H 1 1.922 0.02 . 1 . . . . . 17 GLN HG3 . 27524 1 183 . 1 1 17 17 GLN HE21 H 1 6.872 0.02 . 1 . . . . . 17 GLN HE21 . 27524 1 184 . 1 1 17 17 GLN HE22 H 1 6.804 0.02 . 1 . . . . . 17 GLN HE22 . 27524 1 185 . 1 1 17 17 GLN C C 13 173.771 0.3 . 1 . . . . . 17 GLN C . 27524 1 186 . 1 1 17 17 GLN CA C 13 58.63 0.3 . 1 . . . . . 17 GLN CA . 27524 1 187 . 1 1 17 17 GLN CB C 13 31.131 0.3 . 1 . . . . . 17 GLN CB . 27524 1 188 . 1 1 17 17 GLN CG C 13 30.524 0.3 . 1 . . . . . 17 GLN CG . 27524 1 189 . 1 1 17 17 GLN N N 15 120.999 0.3 . 1 . . . . . 17 GLN N . 27524 1 190 . 1 1 17 17 GLN NE2 N 15 114.116 0.3 . 1 . . . . . 17 GLN NE2 . 27524 1 191 . 1 1 18 18 MET H H 1 7.593 0.02 . 1 . . . . . 18 MET H . 27524 1 192 . 1 1 18 18 MET HA H 1 4.84 0.02 . 1 . . . . . 18 MET HA . 27524 1 193 . 1 1 18 18 MET HB2 H 1 1.522 0.02 . 1 . . . . . 18 MET HB2 . 27524 1 194 . 1 1 18 18 MET HB3 H 1 1.475 0.02 . 1 . . . . . 18 MET HB3 . 27524 1 195 . 1 1 18 18 MET HG2 H 1 1.396 0.02 . 1 . . . . . 18 MET HG2 . 27524 1 196 . 1 1 18 18 MET HG3 H 1 1.338 0.02 . 1 . . . . . 18 MET HG3 . 27524 1 197 . 1 1 18 18 MET C C 13 175.277 0.3 . 1 . . . . . 18 MET C . 27524 1 198 . 1 1 18 18 MET CA C 13 53.527 0.3 . 1 . . . . . 18 MET CA . 27524 1 199 . 1 1 18 18 MET CB C 13 35.856 0.3 . 1 . . . . . 18 MET CB . 27524 1 200 . 1 1 18 18 MET CG C 13 31.832 0.3 . 1 . . . . . 18 MET CG . 27524 1 201 . 1 1 18 18 MET N N 15 124.246 0.3 . 1 . . . . . 18 MET N . 27524 1 202 . 1 1 19 19 TYR H H 1 8.174 0.02 . 1 . . . . . 19 TYR H . 27524 1 203 . 1 1 19 19 TYR HA H 1 4.852 0.02 . 1 . . . . . 19 TYR HA . 27524 1 204 . 1 1 19 19 TYR HB2 H 1 2.876 0.02 . 1 . . . . . 19 TYR HB2 . 27524 1 205 . 1 1 19 19 TYR HB3 H 1 2.563 0.02 . 1 . . . . . 19 TYR HB3 . 27524 1 206 . 1 1 19 19 TYR HD2 H 1 6.92 0.02 . 1 . . . . . 19 TYR HD2 . 27524 1 207 . 1 1 19 19 TYR HE1 H 1 7.055 0.02 . 1 . . . . . 19 TYR HE1 . 27524 1 208 . 1 1 19 19 TYR C C 13 175.277 0.3 . 1 . . . . . 19 TYR C . 27524 1 209 . 1 1 19 19 TYR CA C 13 58.252 0.3 . 1 . . . . . 19 TYR CA . 27524 1 210 . 1 1 19 19 TYR CB C 13 42.376 0.3 . 1 . . . . . 19 TYR CB . 27524 1 211 . 1 1 19 19 TYR N N 15 122.265 0.3 . 1 . . . . . 19 TYR N . 27524 1 212 . 1 1 20 20 GLU H H 1 8.368 0.02 . 1 . . . . . 20 GLU H . 27524 1 213 . 1 1 20 20 GLU HA H 1 5.354 0.02 . 1 . . . . . 20 GLU HA . 27524 1 214 . 1 1 20 20 GLU HB2 H 1 1.934 0.02 . 1 . . . . . 20 GLU HB2 . 27524 1 215 . 1 1 20 20 GLU HB3 H 1 1.792 0.02 . 1 . . . . . 20 GLU HB3 . 27524 1 216 . 1 1 20 20 GLU HG2 H 1 2.114 0.02 . 1 . . . . . 20 GLU HG2 . 27524 1 217 . 1 1 20 20 GLU HG3 H 1 2.085 0.02 . 1 . . . . . 20 GLU HG3 . 27524 1 218 . 1 1 20 20 GLU C C 13 175.643 0.3 . 1 . . . . . 20 GLU C . 27524 1 219 . 1 1 20 20 GLU CA C 13 57.118 0.3 . 1 . . . . . 20 GLU CA . 27524 1 220 . 1 1 20 20 GLU CB C 13 30.847 0.3 . 1 . . . . . 20 GLU CB . 27524 1 221 . 1 1 20 20 GLU CG C 13 38.442 0.3 . 1 . . . . . 20 GLU CG . 27524 1 222 . 1 1 20 20 GLU N N 15 124.515 0.3 . 1 . . . . . 20 GLU N . 27524 1 223 . 1 1 21 21 THR H H 1 8.768 0.02 . 1 . . . . . 21 THR H . 27524 1 224 . 1 1 21 21 THR HA H 1 5.154 0.02 . 1 . . . . . 21 THR HA . 27524 1 225 . 1 1 21 21 THR HB H 1 4.322 0.02 . 1 . . . . . 21 THR HB . 27524 1 226 . 1 1 21 21 THR HG21 H 1 1.376 0.02 . 1 . . . . . 21 THR HG2 . 27524 1 227 . 1 1 21 21 THR HG22 H 1 1.376 0.02 . 1 . . . . . 21 THR HG2 . 27524 1 228 . 1 1 21 21 THR HG23 H 1 1.376 0.02 . 1 . . . . . 21 THR HG2 . 27524 1 229 . 1 1 21 21 THR C C 13 175.083 0.3 . 1 . . . . . 21 THR C . 27524 1 230 . 1 1 21 21 THR CA C 13 60.142 0.3 . 1 . . . . . 21 THR CA . 27524 1 231 . 1 1 21 21 THR CB C 13 71.292 0.3 . 1 . . . . . 21 THR CB . 27524 1 232 . 1 1 21 21 THR CG2 C 13 20.646 0.3 . 1 . . . . . 21 THR CG2 . 27524 1 233 . 1 1 21 21 THR N N 15 118.068 0.3 . 1 . . . . . 21 THR N . 27524 1 234 . 1 1 22 22 THR H H 1 8.007 0.02 . 1 . . . . . 22 THR H . 27524 1 235 . 1 1 22 22 THR HA H 1 5.269 0.02 . 1 . . . . . 22 THR HA . 27524 1 236 . 1 1 22 22 THR HB H 1 4.461 0.02 . 1 . . . . . 22 THR HB . 27524 1 237 . 1 1 22 22 THR HG21 H 1 1.645 0.02 . 1 . . . . . 22 THR HG2 . 27524 1 238 . 1 1 22 22 THR HG22 H 1 1.645 0.02 . 1 . . . . . 22 THR HG2 . 27524 1 239 . 1 1 22 22 THR HG23 H 1 1.645 0.02 . 1 . . . . . 22 THR HG2 . 27524 1 240 . 1 1 22 22 THR C C 13 173.491 0.3 . 1 . . . . . 22 THR C . 27524 1 241 . 1 1 22 22 THR CA C 13 61.559 0.3 . 1 . . . . . 22 THR CA . 27524 1 242 . 1 1 22 22 THR CB C 13 71.198 0.3 . 1 . . . . . 22 THR CB . 27524 1 243 . 1 1 22 22 THR CG2 C 13 25.157 0.3 . 1 . . . . . 22 THR CG2 . 27524 1 244 . 1 1 22 22 THR N N 15 114.56 0.3 . 1 . . . . . 22 THR N . 27524 1 245 . 1 1 23 23 GLU H H 1 8.346 0.02 . 1 . . . . . 23 GLU H . 27524 1 246 . 1 1 23 23 GLU HA H 1 4.632 0.02 . 1 . . . . . 23 GLU HA . 27524 1 247 . 1 1 23 23 GLU HB2 H 1 1.833 0.02 . 1 . . . . . 23 GLU HB2 . 27524 1 248 . 1 1 23 23 GLU HB3 H 1 1.819 0.02 . 1 . . . . . 23 GLU HB3 . 27524 1 249 . 1 1 23 23 GLU HG2 H 1 2.275 0.02 . 1 . . . . . 23 GLU HG2 . 27524 1 250 . 1 1 23 23 GLU HG3 H 1 2.244 0.02 . 1 . . . . . 23 GLU HG3 . 27524 1 251 . 1 1 23 23 GLU C C 13 174.718 0.3 . 1 . . . . . 23 GLU C . 27524 1 252 . 1 1 23 23 GLU CA C 13 55.039 0.3 . 1 . . . . . 23 GLU CA . 27524 1 253 . 1 1 23 23 GLU CB C 13 34.155 0.3 . 1 . . . . . 23 GLU CB . 27524 1 254 . 1 1 23 23 GLU CG C 13 36.824 0.3 . 1 . . . . . 23 GLU CG . 27524 1 255 . 1 1 23 23 GLU N N 15 121.592 0.3 . 1 . . . . . 23 GLU N . 27524 1 256 . 1 1 24 24 ASP H H 1 8.191 0.02 . 1 . . . . . 24 ASP H . 27524 1 257 . 1 1 24 24 ASP HA H 1 4.714 0.02 . 1 . . . . . 24 ASP HA . 27524 1 258 . 1 1 24 24 ASP HB2 H 1 2.465 0.02 . 1 . . . . . 24 ASP HB2 . 27524 1 259 . 1 1 24 24 ASP HB3 H 1 2.281 0.02 . 1 . . . . . 24 ASP HB3 . 27524 1 260 . 1 1 24 24 ASP C C 13 175.88 0.3 . 1 . . . . . 24 ASP C . 27524 1 261 . 1 1 24 24 ASP CA C 13 56.456 0.3 . 1 . . . . . 24 ASP CA . 27524 1 262 . 1 1 24 24 ASP CB C 13 41.431 0.3 . 1 . . . . . 24 ASP CB . 27524 1 263 . 1 1 24 24 ASP N N 15 118.821 0.3 . 1 . . . . . 24 ASP N . 27524 1 264 . 1 1 25 25 CYS H H 1 8.878 0.02 . 1 . . . . . 25 CYS H . 27524 1 265 . 1 1 25 25 CYS HA H 1 4.665 0.02 . 1 . . . . . 25 CYS HA . 27524 1 266 . 1 1 25 25 CYS HB2 H 1 2.588 0.02 . 1 . . . . . 25 CYS HB2 . 27524 1 267 . 1 1 25 25 CYS HB3 H 1 2.289 0.02 . 1 . . . . . 25 CYS HB3 . 27524 1 268 . 1 1 25 25 CYS C C 13 172.35 0.3 . 1 . . . . . 25 CYS C . 27524 1 269 . 1 1 25 25 CYS CA C 13 57.307 0.3 . 1 . . . . . 25 CYS CA . 27524 1 270 . 1 1 25 25 CYS CB C 13 28.768 0.3 . 1 . . . . . 25 CYS CB . 27524 1 271 . 1 1 25 25 CYS N N 15 121.059 0.3 . 1 . . . . . 25 CYS N . 27524 1 272 . 1 1 26 26 PRO HA H 1 3.759 0.02 . 1 . . . . . 26 PRO HA . 27524 1 273 . 1 1 26 26 PRO HB2 H 1 1.792 0.02 . 1 . . . . . 26 PRO HB2 . 27524 1 274 . 1 1 26 26 PRO HB3 H 1 1.742 0.02 . 1 . . . . . 26 PRO HB3 . 27524 1 275 . 1 1 26 26 PRO HG2 H 1 1.876 0.02 . 1 . . . . . 26 PRO HG2 . 27524 1 276 . 1 1 26 26 PRO HG3 H 1 1.861 0.02 . 1 . . . . . 26 PRO HG3 . 27524 1 277 . 1 1 26 26 PRO HD2 H 1 3.834 0.02 . 1 . . . . . 26 PRO HD2 . 27524 1 278 . 1 1 26 26 PRO HD3 H 1 3.786 0.02 . 1 . . . . . 26 PRO HD3 . 27524 1 279 . 1 1 26 26 PRO C C 13 175.88 0.3 . 1 . . . . . 26 PRO C . 27524 1 280 . 1 1 26 26 PRO CA C 13 64.678 0.3 . 1 . . . . . 26 PRO CA . 27524 1 281 . 1 1 26 26 PRO CB C 13 32.17 0.3 . 1 . . . . . 26 PRO CB . 27524 1 282 . 1 1 26 26 PRO CG C 13 26.85 0.3 . 1 . . . . . 26 PRO CG . 27524 1 283 . 1 1 26 26 PRO CD C 13 51.804 0.3 . 1 . . . . . 26 PRO CD . 27524 1 284 . 1 1 27 27 SER H H 1 7.07 0.02 . 1 . . . . . 27 SER H . 27524 1 285 . 1 1 27 27 SER HA H 1 4.836 0.02 . 1 . . . . . 27 SER HA . 27524 1 286 . 1 1 27 27 SER HB2 H 1 3.849 0.02 . 1 . . . . . 27 SER HB2 . 27524 1 287 . 1 1 27 27 SER HB3 H 1 3.42 0.02 . 1 . . . . . 27 SER HB3 . 27524 1 288 . 1 1 27 27 SER C C 13 174.997 0.3 . 1 . . . . . 27 SER C . 27524 1 289 . 1 1 27 27 SER CA C 13 63.26 0.3 . 1 . . . . . 27 SER CA . 27524 1 290 . 1 1 27 27 SER CB C 13 65.623 0.3 . 1 . . . . . 27 SER CB . 27524 1 291 . 1 1 27 27 SER N N 15 111.497 0.3 . 1 . . . . . 27 SER N . 27524 1 292 . 1 1 28 28 ILE H H 1 8.604 0.02 . 1 . . . . . 28 ILE H . 27524 1 293 . 1 1 28 28 ILE HA H 1 3.918 0.02 . 1 . . . . . 28 ILE HA . 27524 1 294 . 1 1 28 28 ILE HB H 1 1.733 0.02 . 1 . . . . . 28 ILE HB . 27524 1 295 . 1 1 28 28 ILE HG12 H 1 1.708 0.02 . 1 . . . . . 28 ILE HG12 . 27524 1 296 . 1 1 28 28 ILE HG13 H 1 1.678 0.02 . 1 . . . . . 28 ILE HG13 . 27524 1 297 . 1 1 28 28 ILE HG21 H 1 0.973 0.02 . 1 . . . . . 28 ILE HG2 . 27524 1 298 . 1 1 28 28 ILE HG22 H 1 0.973 0.02 . 1 . . . . . 28 ILE HG2 . 27524 1 299 . 1 1 28 28 ILE HG23 H 1 0.973 0.02 . 1 . . . . . 28 ILE HG2 . 27524 1 300 . 1 1 28 28 ILE HD11 H 1 0.854 0.02 . 1 . . . . . 28 ILE HD1 . 27524 1 301 . 1 1 28 28 ILE HD12 H 1 0.854 0.02 . 1 . . . . . 28 ILE HD1 . 27524 1 302 . 1 1 28 28 ILE HD13 H 1 0.854 0.02 . 1 . . . . . 28 ILE HD1 . 27524 1 303 . 1 1 28 28 ILE C C 13 178.29 0.3 . 1 . . . . . 28 ILE C . 27524 1 304 . 1 1 28 28 ILE CA C 13 57.59 0.3 . 1 . . . . . 28 ILE CA . 27524 1 305 . 1 1 28 28 ILE CB C 13 39.069 0.3 . 1 . . . . . 28 ILE CB . 27524 1 306 . 1 1 28 28 ILE CG1 C 13 28.534 0.3 . 1 . . . . . 28 ILE CG1 . 27524 1 307 . 1 1 28 28 ILE CG2 C 13 18.521 0.3 . 1 . . . . . 28 ILE CG2 . 27524 1 308 . 1 1 28 28 ILE CD1 C 13 15.621 0.3 . 1 . . . . . 28 ILE CD1 . 27524 1 309 . 1 1 28 28 ILE N N 15 131.821 0.3 . 1 . . . . . 28 ILE N . 27524 1 310 . 1 1 29 29 MET H H 1 8.839 0.02 . 1 . . . . . 29 MET H . 27524 1 311 . 1 1 29 29 MET HA H 1 4.212 0.02 . 1 . . . . . 29 MET HA . 27524 1 312 . 1 1 29 29 MET HB2 H 1 2.012 0.02 . 1 . . . . . 29 MET HB2 . 27524 1 313 . 1 1 29 29 MET HB3 H 1 1.824 0.02 . 1 . . . . . 29 MET HB3 . 27524 1 314 . 1 1 29 29 MET HG2 H 1 2.588 0.02 . 1 . . . . . 29 MET HG2 . 27524 1 315 . 1 1 29 29 MET HG3 H 1 2.526 0.02 . 1 . . . . . 29 MET HG3 . 27524 1 316 . 1 1 29 29 MET C C 13 178.419 0.3 . 1 . . . . . 29 MET C . 27524 1 317 . 1 1 29 29 MET CA C 13 59.197 0.3 . 1 . . . . . 29 MET CA . 27524 1 318 . 1 1 29 29 MET CB C 13 31.887 0.3 . 1 . . . . . 29 MET CB . 27524 1 319 . 1 1 29 29 MET CG C 13 33.553 0.3 . 1 . . . . . 29 MET CG . 27524 1 320 . 1 1 29 29 MET N N 15 123.525 0.3 . 1 . . . . . 29 MET N . 27524 1 321 . 1 1 30 30 GLU H H 1 7.548 0.02 . 1 . . . . . 30 GLU H . 27524 1 322 . 1 1 30 30 GLU HA H 1 3.788 0.02 . 1 . . . . . 30 GLU HA . 27524 1 323 . 1 1 30 30 GLU HB2 H 1 1.767 0.02 . 1 . . . . . 30 GLU HB2 . 27524 1 324 . 1 1 30 30 GLU HB3 H 1 1.724 0.02 . 1 . . . . . 30 GLU HB3 . 27524 1 325 . 1 1 30 30 GLU HG2 H 1 1.888 0.02 . 1 . . . . . 30 GLU HG2 . 27524 1 326 . 1 1 30 30 GLU HG3 H 1 1.859 0.02 . 1 . . . . . 30 GLU HG3 . 27524 1 327 . 1 1 30 30 GLU C C 13 177.02 0.3 . 1 . . . . . 30 GLU C . 27524 1 328 . 1 1 30 30 GLU CA C 13 59.575 0.3 . 1 . . . . . 30 GLU CA . 27524 1 329 . 1 1 30 30 GLU CB C 13 30.375 0.3 . 1 . . . . . 30 GLU CB . 27524 1 330 . 1 1 30 30 GLU CG C 13 36.642 0.3 . 1 . . . . . 30 GLU CG . 27524 1 331 . 1 1 30 30 GLU N N 15 117.469 0.3 . 1 . . . . . 30 GLU N . 27524 1 332 . 1 1 31 31 GLN H H 1 7.178 0.02 . 1 . . . . . 31 GLN H . 27524 1 333 . 1 1 31 31 GLN HA H 1 3.765 0.02 . 1 . . . . . 31 GLN HA . 27524 1 334 . 1 1 31 31 GLN HB2 H 1 1.376 0.02 . 1 . . . . . 31 GLN HB2 . 27524 1 335 . 1 1 31 31 GLN HB3 H 1 1.341 0.02 . 1 . . . . . 31 GLN HB3 . 27524 1 336 . 1 1 31 31 GLN HG2 H 1 1.442 0.02 . 1 . . . . . 31 GLN HG2 . 27524 1 337 . 1 1 31 31 GLN HG3 H 1 1.325 0.02 . 1 . . . . . 31 GLN HG3 . 27524 1 338 . 1 1 31 31 GLN HE21 H 1 6.948 0.02 . 1 . . . . . 31 GLN HE21 . 27524 1 339 . 1 1 31 31 GLN HE22 H 1 6.719 0.02 . 1 . . . . . 31 GLN HE22 . 27524 1 340 . 1 1 31 31 GLN C C 13 176.009 0.3 . 1 . . . . . 31 GLN C . 27524 1 341 . 1 1 31 31 GLN CA C 13 58.346 0.3 . 1 . . . . . 31 GLN CA . 27524 1 342 . 1 1 31 31 GLN CB C 13 30.186 0.3 . 1 . . . . . 31 GLN CB . 27524 1 343 . 1 1 31 31 GLN CG C 13 33.615 0.3 . 1 . . . . . 31 GLN CG . 27524 1 344 . 1 1 31 31 GLN N N 15 113.754 0.3 . 1 . . . . . 31 GLN N . 27524 1 345 . 1 1 31 31 GLN NE2 N 15 111.224 0.3 . 1 . . . . . 31 GLN NE2 . 27524 1 346 . 1 1 32 32 PHE H H 1 7.777 0.02 . 1 . . . . . 32 PHE H . 27524 1 347 . 1 1 32 32 PHE HA H 1 4.32 0.02 . 1 . . . . . 32 PHE HA . 27524 1 348 . 1 1 32 32 PHE HB2 H 1 2.742 0.02 . 1 . . . . . 32 PHE HB2 . 27524 1 349 . 1 1 32 32 PHE HB3 H 1 2.314 0.02 . 1 . . . . . 32 PHE HB3 . 27524 1 350 . 1 1 32 32 PHE HD1 H 1 6.863 0.02 . 1 . . . . . 32 PHE HD1 . 27524 1 351 . 1 1 32 32 PHE HE1 H 1 7.165 0.02 . 1 . . . . . 32 PHE HE1 . 27524 1 352 . 1 1 32 32 PHE HZ H 1 6.932 0.02 . 1 . . . . . 32 PHE HZ . 27524 1 353 . 1 1 32 32 PHE C C 13 173.943 0.3 . 1 . . . . . 32 PHE C . 27524 1 354 . 1 1 32 32 PHE CA C 13 56.834 0.3 . 1 . . . . . 32 PHE CA . 27524 1 355 . 1 1 32 32 PHE CB C 13 41.053 0.3 . 1 . . . . . 32 PHE CB . 27524 1 356 . 1 1 32 32 PHE N N 15 113.603 0.3 . 1 . . . . . 32 PHE N . 27524 1 357 . 1 1 33 33 HIS H H 1 7.402 0.02 . 1 . . . . . 33 HIS H . 27524 1 358 . 1 1 33 33 HIS HA H 1 4.688 0.02 . 1 . . . . . 33 HIS HA . 27524 1 359 . 1 1 33 33 HIS HB2 H 1 3.358 0.02 . 1 . . . . . 33 HIS HB2 . 27524 1 360 . 1 1 33 33 HIS HB3 H 1 3.293 0.02 . 1 . . . . . 33 HIS HB3 . 27524 1 361 . 1 1 33 33 HIS HD2 H 1 6.861 0.02 . 1 . . . . . 33 HIS HD2 . 27524 1 362 . 1 1 33 33 HIS HE1 H 1 7.738 0.02 . 1 . . . . . 33 HIS HE1 . 27524 1 363 . 1 1 33 33 HIS C C 13 174.007 0.3 . 1 . . . . . 33 HIS C . 27524 1 364 . 1 1 33 33 HIS CA C 13 57.307 0.3 . 1 . . . . . 33 HIS CA . 27524 1 365 . 1 1 33 33 HIS CB C 13 27.162 0.3 . 1 . . . . . 33 HIS CB . 27524 1 366 . 1 1 33 33 HIS N N 15 114.891 0.3 . 1 . . . . . 33 HIS N . 27524 1 367 . 1 1 34 34 MET H H 1 6.831 0.02 . 1 . . . . . 34 MET H . 27524 1 368 . 1 1 34 34 MET HA H 1 4.708 0.02 . 1 . . . . . 34 MET HA . 27524 1 369 . 1 1 34 34 MET HB2 H 1 2.118 0.02 . 1 . . . . . 34 MET HB2 . 27524 1 370 . 1 1 34 34 MET HB3 H 1 1.628 0.02 . 1 . . . . . 34 MET HB3 . 27524 1 371 . 1 1 34 34 MET HG2 H 1 2.515 0.02 . 1 . . . . . 34 MET HG2 . 27524 1 372 . 1 1 34 34 MET HG3 H 1 2.453 0.02 . 1 . . . . . 34 MET HG3 . 27524 1 373 . 1 1 34 34 MET C C 13 174.158 0.3 . 1 . . . . . 34 MET C . 27524 1 374 . 1 1 34 34 MET CA C 13 55.322 0.3 . 1 . . . . . 34 MET CA . 27524 1 375 . 1 1 34 34 MET CB C 13 38.218 0.3 . 1 . . . . . 34 MET CB . 27524 1 376 . 1 1 34 34 MET CG C 13 32.314 0.3 . 1 . . . . . 34 MET CG . 27524 1 377 . 1 1 34 34 MET N N 15 115.452 0.3 . 1 . . . . . 34 MET N . 27524 1 378 . 1 1 35 35 ARG H H 1 8.782 0.02 . 1 . . . . . 35 ARG H . 27524 1 379 . 1 1 35 35 ARG HA H 1 4.314 0.02 . 1 . . . . . 35 ARG HA . 27524 1 380 . 1 1 35 35 ARG HB2 H 1 1.861 0.02 . 1 . . . . . 35 ARG HB2 . 27524 1 381 . 1 1 35 35 ARG HB3 H 1 1.787 0.02 . 1 . . . . . 35 ARG HB3 . 27524 1 382 . 1 1 35 35 ARG HG2 H 1 1.654 0.02 . 1 . . . . . 35 ARG HG2 . 27524 1 383 . 1 1 35 35 ARG HG3 H 1 1.612 0.02 . 1 . . . . . 35 ARG HG3 . 27524 1 384 . 1 1 35 35 ARG HE H 1 7.274 0.02 . 1 . . . . . 35 ARG HE . 27524 1 385 . 1 1 35 35 ARG C C 13 175.083 0.3 . 1 . . . . . 35 ARG C . 27524 1 386 . 1 1 35 35 ARG CA C 13 57.212 0.3 . 1 . . . . . 35 ARG CA . 27524 1 387 . 1 1 35 35 ARG CB C 13 32.548 0.3 . 1 . . . . . 35 ARG CB . 27524 1 388 . 1 1 35 35 ARG CG C 13 28.534 0.3 . 1 . . . . . 35 ARG CG . 27524 1 389 . 1 1 35 35 ARG CD C 13 43.101 0.3 . 1 . . . . . 35 ARG CD . 27524 1 390 . 1 1 35 35 ARG N N 15 118.266 0.3 . 1 . . . . . 35 ARG N . 27524 1 391 . 1 1 36 36 GLU H H 1 7.468 0.02 . 1 . . . . . 36 GLU H . 27524 1 392 . 1 1 36 36 GLU HA H 1 4.712 0.02 . 1 . . . . . 36 GLU HA . 27524 1 393 . 1 1 36 36 GLU HB2 H 1 2.044 0.02 . 1 . . . . . 36 GLU HB2 . 27524 1 394 . 1 1 36 36 GLU HB3 H 1 1.922 0.02 . 1 . . . . . 36 GLU HB3 . 27524 1 395 . 1 1 36 36 GLU HG2 H 1 2.522 0.02 . 1 . . . . . 36 GLU HG2 . 27524 1 396 . 1 1 36 36 GLU HG3 H 1 2.489 0.02 . 1 . . . . . 36 GLU HG3 . 27524 1 397 . 1 1 36 36 GLU C C 13 174.373 0.3 . 1 . . . . . 36 GLU C . 27524 1 398 . 1 1 36 36 GLU CA C 13 54.85 0.3 . 1 . . . . . 36 GLU CA . 27524 1 399 . 1 1 36 36 GLU CB C 13 35.005 0.3 . 1 . . . . . 36 GLU CB . 27524 1 400 . 1 1 36 36 GLU CG C 13 36.63 0.3 . 1 . . . . . 36 GLU CG . 27524 1 401 . 1 1 36 36 GLU N N 15 115.468 0.3 . 1 . . . . . 36 GLU N . 27524 1 402 . 1 1 37 37 ILE H H 1 8.039 0.02 . 1 . . . . . 37 ILE H . 27524 1 403 . 1 1 37 37 ILE HA H 1 4.655 0.02 . 1 . . . . . 37 ILE HA . 27524 1 404 . 1 1 37 37 ILE HB H 1 1.455 0.02 . 1 . . . . . 37 ILE HB . 27524 1 405 . 1 1 37 37 ILE HG12 H 1 1.787 0.02 . 1 . . . . . 37 ILE HG12 . 27524 1 406 . 1 1 37 37 ILE HG13 H 1 1.592 0.02 . 1 . . . . . 37 ILE HG13 . 27524 1 407 . 1 1 37 37 ILE HG21 H 1 0.884 0.02 . 1 . . . . . 37 ILE HG2 . 27524 1 408 . 1 1 37 37 ILE HG22 H 1 0.884 0.02 . 1 . . . . . 37 ILE HG2 . 27524 1 409 . 1 1 37 37 ILE HG23 H 1 0.884 0.02 . 1 . . . . . 37 ILE HG2 . 27524 1 410 . 1 1 37 37 ILE HD11 H 1 0.748 0.02 . 1 . . . . . 37 ILE HD1 . 27524 1 411 . 1 1 37 37 ILE HD12 H 1 0.748 0.02 . 1 . . . . . 37 ILE HD1 . 27524 1 412 . 1 1 37 37 ILE HD13 H 1 0.748 0.02 . 1 . . . . . 37 ILE HD1 . 27524 1 413 . 1 1 37 37 ILE C C 13 173.642 0.3 . 1 . . . . . 37 ILE C . 27524 1 414 . 1 1 37 37 ILE CA C 13 61.654 0.3 . 1 . . . . . 37 ILE CA . 27524 1 415 . 1 1 37 37 ILE CB C 13 40.959 0.3 . 1 . . . . . 37 ILE CB . 27524 1 416 . 1 1 37 37 ILE N N 15 119.154 0.3 . 1 . . . . . 37 ILE N . 27524 1 417 . 1 1 38 38 HIS H H 1 7.582 0.02 . 1 . . . . . 38 HIS H . 27524 1 418 . 1 1 38 38 HIS HA H 1 4.681 0.02 . 1 . . . . . 38 HIS HA . 27524 1 419 . 1 1 38 38 HIS HB2 H 1 3.146 0.02 . 1 . . . . . 38 HIS HB2 . 27524 1 420 . 1 1 38 38 HIS HB3 H 1 2.884 0.02 . 1 . . . . . 38 HIS HB3 . 27524 1 421 . 1 1 38 38 HIS HD2 H 1 7.194 0.02 . 1 . . . . . 38 HIS HD2 . 27524 1 422 . 1 1 38 38 HIS HE1 H 1 8.078 0.02 . 1 . . . . . 38 HIS HE1 . 27524 1 423 . 1 1 38 38 HIS C C 13 174.201 0.3 . 1 . . . . . 38 HIS C . 27524 1 424 . 1 1 38 38 HIS CA C 13 58.157 0.3 . 1 . . . . . 38 HIS CA . 27524 1 425 . 1 1 38 38 HIS CB C 13 35.478 0.3 . 1 . . . . . 38 HIS CB . 27524 1 426 . 1 1 38 38 HIS N N 15 120.651 0.3 . 1 . . . . . 38 HIS N . 27524 1 427 . 1 1 39 39 SER H H 1 7.829 0.02 . 1 . . . . . 39 SER H . 27524 1 428 . 1 1 39 39 SER HA H 1 4.387 0.02 . 1 . . . . . 39 SER HA . 27524 1 429 . 1 1 39 39 SER HB2 H 1 3.857 0.02 . 1 . . . . . 39 SER HB2 . 27524 1 430 . 1 1 39 39 SER HB3 H 1 3.493 0.02 . 1 . . . . . 39 SER HB3 . 27524 1 431 . 1 1 39 39 SER C C 13 174.18 0.3 . 1 . . . . . 39 SER C . 27524 1 432 . 1 1 39 39 SER CA C 13 59.858 0.3 . 1 . . . . . 39 SER CA . 27524 1 433 . 1 1 39 39 SER CB C 13 65.434 0.3 . 1 . . . . . 39 SER CB . 27524 1 434 . 1 1 39 39 SER N N 15 105.352 0.3 . 1 . . . . . 39 SER N . 27524 1 435 . 1 1 40 40 CYS H H 1 9.784 0.02 . 1 . . . . . 40 CYS H . 27524 1 436 . 1 1 40 40 CYS HA H 1 5.63 0.02 . 1 . . . . . 40 CYS HA . 27524 1 437 . 1 1 40 40 CYS HB2 H 1 3.22 0.02 . 1 . . . . . 40 CYS HB2 . 27524 1 438 . 1 1 40 40 CYS HB3 H 1 2.968 0.02 . 1 . . . . . 40 CYS HB3 . 27524 1 439 . 1 1 40 40 CYS C C 13 172.329 0.3 . 1 . . . . . 40 CYS C . 27524 1 440 . 1 1 40 40 CYS CA C 13 58.252 0.3 . 1 . . . . . 40 CYS CA . 27524 1 441 . 1 1 40 40 CYS CB C 13 30.375 0.3 . 1 . . . . . 40 CYS CB . 27524 1 442 . 1 1 40 40 CYS N N 15 114.802 0.3 . 1 . . . . . 40 CYS N . 27524 1 443 . 1 1 41 41 LYS H H 1 8.693 0.02 . 1 . . . . . 41 LYS H . 27524 1 444 . 1 1 41 41 LYS HA H 1 4.522 0.02 . 1 . . . . . 41 LYS HA . 27524 1 445 . 1 1 41 41 LYS HB2 H 1 1.982 0.02 . 1 . . . . . 41 LYS HB2 . 27524 1 446 . 1 1 41 41 LYS HB3 H 1 1.954 0.02 . 1 . . . . . 41 LYS HB3 . 27524 1 447 . 1 1 41 41 LYS HG2 H 1 1.664 0.02 . 1 . . . . . 41 LYS HG2 . 27524 1 448 . 1 1 41 41 LYS HG3 H 1 1.629 0.02 . 1 . . . . . 41 LYS HG3 . 27524 1 449 . 1 1 41 41 LYS HD2 H 1 1.728 0.02 . 1 . . . . . 41 LYS HD2 . 27524 1 450 . 1 1 41 41 LYS HD3 H 1 1.643 0.02 . 1 . . . . . 41 LYS HD3 . 27524 1 451 . 1 1 41 41 LYS HE2 H 1 2.973 0.02 . 1 . . . . . 41 LYS HE2 . 27524 1 452 . 1 1 41 41 LYS HE3 H 1 2.869 0.02 . 1 . . . . . 41 LYS HE3 . 27524 1 453 . 1 1 41 41 LYS C C 13 175.148 0.3 . 1 . . . . . 41 LYS C . 27524 1 454 . 1 1 41 41 LYS CA C 13 58.157 0.3 . 1 . . . . . 41 LYS CA . 27524 1 455 . 1 1 41 41 LYS CB C 13 31.32 0.3 . 1 . . . . . 41 LYS CB . 27524 1 456 . 1 1 41 41 LYS CG C 13 27.194 0.3 . 1 . . . . . 41 LYS CG . 27524 1 457 . 1 1 41 41 LYS CD C 13 31.163 0.3 . 1 . . . . . 41 LYS CD . 27524 1 458 . 1 1 41 41 LYS N N 15 122.787 0.3 . 1 . . . . . 41 LYS N . 27524 1 459 . 1 1 42 42 VAL H H 1 7.751 0.02 . 1 . . . . . 42 VAL H . 27524 1 460 . 1 1 42 42 VAL HA H 1 4.485 0.02 . 1 . . . . . 42 VAL HA . 27524 1 461 . 1 1 42 42 VAL HB H 1 2.343 0.02 . 1 . . . . . 42 VAL HB . 27524 1 462 . 1 1 42 42 VAL HG11 H 1 1.082 0.02 . 1 . . . . . 42 VAL HG1 . 27524 1 463 . 1 1 42 42 VAL HG12 H 1 1.082 0.02 . 1 . . . . . 42 VAL HG1 . 27524 1 464 . 1 1 42 42 VAL HG13 H 1 1.082 0.02 . 1 . . . . . 42 VAL HG1 . 27524 1 465 . 1 1 42 42 VAL C C 13 175.169 0.3 . 1 . . . . . 42 VAL C . 27524 1 466 . 1 1 42 42 VAL CA C 13 61.276 0.3 . 1 . . . . . 42 VAL CA . 27524 1 467 . 1 1 42 42 VAL CB C 13 33.682 0.3 . 1 . . . . . 42 VAL CB . 27524 1 468 . 1 1 42 42 VAL N N 15 126.231 0.3 . 1 . . . . . 42 VAL N . 27524 1 469 . 1 1 43 43 LEU H H 1 8.443 0.02 . 1 . . . . . 43 LEU H . 27524 1 470 . 1 1 43 43 LEU HA H 1 4.395 0.02 . 1 . . . . . 43 LEU HA . 27524 1 471 . 1 1 43 43 LEU HB2 H 1 1.693 0.02 . 1 . . . . . 43 LEU HB2 . 27524 1 472 . 1 1 43 43 LEU HB3 H 1 1.614 0.02 . 1 . . . . . 43 LEU HB3 . 27524 1 473 . 1 1 43 43 LEU HG H 1 1.655 0.02 . 1 . . . . . 43 LEU HG . 27524 1 474 . 1 1 43 43 LEU HD11 H 1 0.586 0.02 . 1 . . . . . 43 LEU HD1 . 27524 1 475 . 1 1 43 43 LEU HD12 H 1 0.586 0.02 . 1 . . . . . 43 LEU HD1 . 27524 1 476 . 1 1 43 43 LEU HD13 H 1 0.586 0.02 . 1 . . . . . 43 LEU HD1 . 27524 1 477 . 1 1 43 43 LEU C C 13 175.083 0.3 . 1 . . . . . 43 LEU C . 27524 1 478 . 1 1 43 43 LEU CA C 13 54.472 0.3 . 1 . . . . . 43 LEU CA . 27524 1 479 . 1 1 43 43 LEU CB C 13 42.376 0.3 . 1 . . . . . 43 LEU CB . 27524 1 480 . 1 1 43 43 LEU CG C 13 28.728 0.3 . 1 . . . . . 43 LEU CG . 27524 1 481 . 1 1 43 43 LEU CD1 C 13 25.304 0.3 . 1 . . . . . 43 LEU CD1 . 27524 1 482 . 1 1 43 43 LEU CD2 C 13 24.226 0.3 . 1 . . . . . 43 LEU CD2 . 27524 1 483 . 1 1 43 43 LEU N N 15 123.071 0.3 . 1 . . . . . 43 LEU N . 27524 1 484 . 1 1 44 44 GLU H H 1 8.666 0.02 . 1 . . . . . 44 GLU H . 27524 1 485 . 1 1 44 44 GLU HA H 1 4.518 0.02 . 1 . . . . . 44 GLU HA . 27524 1 486 . 1 1 44 44 GLU HB2 H 1 1.988 0.02 . 1 . . . . . 44 GLU HB2 . 27524 1 487 . 1 1 44 44 GLU HB3 H 1 1.816 0.02 . 1 . . . . . 44 GLU HB3 . 27524 1 488 . 1 1 44 44 GLU HG2 H 1 2.546 0.02 . 1 . . . . . 44 GLU HG2 . 27524 1 489 . 1 1 44 44 GLU HG3 H 1 2.439 0.02 . 1 . . . . . 44 GLU HG3 . 27524 1 490 . 1 1 44 44 GLU C C 13 175.105 0.3 . 1 . . . . . 44 GLU C . 27524 1 491 . 1 1 44 44 GLU CA C 13 54.472 0.3 . 1 . . . . . 44 GLU CA . 27524 1 492 . 1 1 44 44 GLU CB C 13 34.344 0.3 . 1 . . . . . 44 GLU CB . 27524 1 493 . 1 1 44 44 GLU CG C 13 36.584 0.3 . 1 . . . . . 44 GLU CG . 27524 1 494 . 1 1 44 44 GLU N N 15 122.862 0.3 . 1 . . . . . 44 GLU N . 27524 1 495 . 1 1 45 45 GLY H H 1 8.06 0.02 . 1 . . . . . 45 GLY H . 27524 1 496 . 1 1 45 45 GLY HA2 H 1 4.261 0.02 . 1 . . . . . 45 GLY HA2 . 27524 1 497 . 1 1 45 45 GLY HA3 H 1 3.837 0.02 . 1 . . . . . 45 GLY HA3 . 27524 1 498 . 1 1 45 45 GLY C C 13 173.018 0.3 . 1 . . . . . 45 GLY C . 27524 1 499 . 1 1 45 45 GLY CA C 13 46.734 0.3 . 1 . . . . . 45 GLY CA . 27524 1 500 . 1 1 45 45 GLY N N 15 107.055 0.3 . 1 . . . . . 45 GLY N . 27524 1 501 . 1 1 46 46 VAL H H 1 8.677 0.02 . 1 . . . . . 46 VAL H . 27524 1 502 . 1 1 46 46 VAL HA H 1 4.441 0.02 . 1 . . . . . 46 VAL HA . 27524 1 503 . 1 1 46 46 VAL HB H 1 1.528 0.02 . 1 . . . . . 46 VAL HB . 27524 1 504 . 1 1 46 46 VAL HG11 H 1 0.767 0.02 . 1 . . . . . 46 VAL HG1 . 27524 1 505 . 1 1 46 46 VAL HG12 H 1 0.767 0.02 . 1 . . . . . 46 VAL HG1 . 27524 1 506 . 1 1 46 46 VAL HG13 H 1 0.767 0.02 . 1 . . . . . 46 VAL HG1 . 27524 1 507 . 1 1 46 46 VAL HG21 H 1 0.723 0.02 . 1 . . . . . 46 VAL HG2 . 27524 1 508 . 1 1 46 46 VAL HG22 H 1 0.723 0.02 . 1 . . . . . 46 VAL HG2 . 27524 1 509 . 1 1 46 46 VAL HG23 H 1 0.723 0.02 . 1 . . . . . 46 VAL HG2 . 27524 1 510 . 1 1 46 46 VAL C C 13 175.105 0.3 . 1 . . . . . 46 VAL C . 27524 1 511 . 1 1 46 46 VAL CA C 13 59.953 0.3 . 1 . . . . . 46 VAL CA . 27524 1 512 . 1 1 46 46 VAL CB C 13 31.414 0.3 . 1 . . . . . 46 VAL CB . 27524 1 513 . 1 1 46 46 VAL CG1 C 13 22.557 0.3 . 1 . . . . . 46 VAL CG1 . 27524 1 514 . 1 1 46 46 VAL CG2 C 13 21.367 0.3 . 1 . . . . . 46 VAL CG2 . 27524 1 515 . 1 1 46 46 VAL N N 15 122.646 0.3 . 1 . . . . . 46 VAL N . 27524 1 516 . 1 1 47 47 TRP H H 1 8.763 0.02 . 1 . . . . . 47 TRP H . 27524 1 517 . 1 1 47 47 TRP HA H 1 5.192 0.02 . 1 . . . . . 47 TRP HA . 27524 1 518 . 1 1 47 47 TRP HB2 H 1 2.957 0.02 . 1 . . . . . 47 TRP HB2 . 27524 1 519 . 1 1 47 47 TRP HB3 H 1 2.208 0.02 . 1 . . . . . 47 TRP HB3 . 27524 1 520 . 1 1 47 47 TRP HD1 H 1 7.192 0.02 . 1 . . . . . 47 TRP HD1 . 27524 1 521 . 1 1 47 47 TRP HE1 H 1 8.919 0.02 . 1 . . . . . 47 TRP HE1 . 27524 1 522 . 1 1 47 47 TRP HE3 H 1 6.86 0.02 . 1 . . . . . 47 TRP HE3 . 27524 1 523 . 1 1 47 47 TRP HZ2 H 1 6.81 0.02 . 1 . . . . . 47 TRP HZ2 . 27524 1 524 . 1 1 47 47 TRP HZ3 H 1 6.686 0.02 . 1 . . . . . 47 TRP HZ3 . 27524 1 525 . 1 1 47 47 TRP HH2 H 1 6.582 0.02 . 1 . . . . . 47 TRP HH2 . 27524 1 526 . 1 1 47 47 TRP C C 13 173.878 0.3 . 1 . . . . . 47 TRP C . 27524 1 527 . 1 1 47 47 TRP CA C 13 58.157 0.3 . 1 . . . . . 47 TRP CA . 27524 1 528 . 1 1 47 47 TRP CB C 13 31.32 0.3 . 1 . . . . . 47 TRP CB . 27524 1 529 . 1 1 47 47 TRP N N 15 125.625 0.3 . 1 . . . . . 47 TRP N . 27524 1 530 . 1 1 47 47 TRP NE1 N 15 123.489 0.3 . 1 . . . . . 47 TRP NE1 . 27524 1 531 . 1 1 48 48 ILE H H 1 9.157 0.02 . 1 . . . . . 48 ILE H . 27524 1 532 . 1 1 48 48 ILE HA H 1 4.506 0.02 . 1 . . . . . 48 ILE HA . 27524 1 533 . 1 1 48 48 ILE HB H 1 1.461 0.02 . 1 . . . . . 48 ILE HB . 27524 1 534 . 1 1 48 48 ILE HG12 H 1 1.567 0.02 . 1 . . . . . 48 ILE HG12 . 27524 1 535 . 1 1 48 48 ILE HG13 H 1 1.359 0.02 . 1 . . . . . 48 ILE HG13 . 27524 1 536 . 1 1 48 48 ILE HG21 H 1 0.748 0.02 . 1 . . . . . 48 ILE HG2 . 27524 1 537 . 1 1 48 48 ILE HG22 H 1 0.748 0.02 . 1 . . . . . 48 ILE HG2 . 27524 1 538 . 1 1 48 48 ILE HG23 H 1 0.748 0.02 . 1 . . . . . 48 ILE HG2 . 27524 1 539 . 1 1 48 48 ILE HD11 H 1 0.629 0.02 . 1 . . . . . 48 ILE HD1 . 27524 1 540 . 1 1 48 48 ILE HD12 H 1 0.629 0.02 . 1 . . . . . 48 ILE HD1 . 27524 1 541 . 1 1 48 48 ILE HD13 H 1 0.629 0.02 . 1 . . . . . 48 ILE HD1 . 27524 1 542 . 1 1 48 48 ILE C C 13 174.545 0.3 . 1 . . . . . 48 ILE C . 27524 1 543 . 1 1 48 48 ILE CA C 13 60.236 0.3 . 1 . . . . . 48 ILE CA . 27524 1 544 . 1 1 48 48 ILE CB C 13 40.77 0.3 . 1 . . . . . 48 ILE CB . 27524 1 545 . 1 1 48 48 ILE CG1 C 13 31.45 0.3 . 1 . . . . . 48 ILE CG1 . 27524 1 546 . 1 1 48 48 ILE CG2 C 13 18.826 0.3 . 1 . . . . . 48 ILE CG2 . 27524 1 547 . 1 1 48 48 ILE CD1 C 13 15.737 0.3 . 1 . . . . . 48 ILE CD1 . 27524 1 548 . 1 1 48 48 ILE N N 15 118.611 0.3 . 1 . . . . . 48 ILE N . 27524 1 549 . 1 1 49 49 PHE H H 1 8.96 0.02 . 1 . . . . . 49 PHE H . 27524 1 550 . 1 1 49 49 PHE HA H 1 5.389 0.02 . 1 . . . . . 49 PHE HA . 27524 1 551 . 1 1 49 49 PHE HB2 H 1 2.926 0.02 . 1 . . . . . 49 PHE HB2 . 27524 1 552 . 1 1 49 49 PHE HB3 H 1 2.863 0.02 . 1 . . . . . 49 PHE HB3 . 27524 1 553 . 1 1 49 49 PHE HD1 H 1 6.966 0.02 . 1 . . . . . 49 PHE HD1 . 27524 1 554 . 1 1 49 49 PHE HE1 H 1 7.118 0.02 . 1 . . . . . 49 PHE HE1 . 27524 1 555 . 1 1 49 49 PHE HZ H 1 7.056 0.02 . 1 . . . . . 49 PHE HZ . 27524 1 556 . 1 1 49 49 PHE C C 13 174.158 0.3 . 1 . . . . . 49 PHE C . 27524 1 557 . 1 1 49 49 PHE CA C 13 57.874 0.3 . 1 . . . . . 49 PHE CA . 27524 1 558 . 1 1 49 49 PHE CB C 13 40.864 0.3 . 1 . . . . . 49 PHE CB . 27524 1 559 . 1 1 49 49 PHE N N 15 124.212 0.3 . 1 . . . . . 49 PHE N . 27524 1 560 . 1 1 50 50 TYR H H 1 8.899 0.02 . 1 . . . . . 50 TYR H . 27524 1 561 . 1 1 50 50 TYR HA H 1 5.32 0.02 . 1 . . . . . 50 TYR HA . 27524 1 562 . 1 1 50 50 TYR HB2 H 1 3.334 0.02 . 1 . . . . . 50 TYR HB2 . 27524 1 563 . 1 1 50 50 TYR HB3 H 1 3.122 0.02 . 1 . . . . . 50 TYR HB3 . 27524 1 564 . 1 1 50 50 TYR HD1 H 1 6.649 0.02 . 1 . . . . . 50 TYR HD1 . 27524 1 565 . 1 1 50 50 TYR HE1 H 1 7.049 0.02 . 1 . . . . . 50 TYR HE1 . 27524 1 566 . 1 1 50 50 TYR C C 13 176.719 0.3 . 1 . . . . . 50 TYR C . 27524 1 567 . 1 1 50 50 TYR CA C 13 57.023 0.3 . 1 . . . . . 50 TYR CA . 27524 1 568 . 1 1 50 50 TYR CB C 13 40.203 0.3 . 1 . . . . . 50 TYR CB . 27524 1 569 . 1 1 50 50 TYR N N 15 116.173 0.3 . 1 . . . . . 50 TYR N . 27524 1 570 . 1 1 51 51 GLU H H 1 9.166 0.02 . 1 . . . . . 51 GLU H . 27524 1 571 . 1 1 51 51 GLU HA H 1 4.32 0.02 . 1 . . . . . 51 GLU HA . 27524 1 572 . 1 1 51 51 GLU HB2 H 1 2.249 0.02 . 1 . . . . . 51 GLU HB2 . 27524 1 573 . 1 1 51 51 GLU HB3 H 1 2.206 0.02 . 1 . . . . . 51 GLU HB3 . 27524 1 574 . 1 1 51 51 GLU HG2 H 1 2.396 0.02 . 1 . . . . . 51 GLU HG2 . 27524 1 575 . 1 1 51 51 GLU HG3 H 1 2.341 0.02 . 1 . . . . . 51 GLU HG3 . 27524 1 576 . 1 1 51 51 GLU C C 13 174.804 0.3 . 1 . . . . . 51 GLU C . 27524 1 577 . 1 1 51 51 GLU CA C 13 59.764 0.3 . 1 . . . . . 51 GLU CA . 27524 1 578 . 1 1 51 51 GLU CB C 13 33.777 0.3 . 1 . . . . . 51 GLU CB . 27524 1 579 . 1 1 51 51 GLU CG C 13 36.265 0.3 . 1 . . . . . 51 GLU CG . 27524 1 580 . 1 1 51 51 GLU N N 15 122.194 0.3 . 1 . . . . . 51 GLU N . 27524 1 581 . 1 1 52 52 LEU H H 1 7.908 0.02 . 1 . . . . . 52 LEU H . 27524 1 582 . 1 1 52 52 LEU HA H 1 4.622 0.02 . 1 . . . . . 52 LEU HA . 27524 1 583 . 1 1 52 52 LEU HB2 H 1 1.467 0.02 . 1 . . . . . 52 LEU HB2 . 27524 1 584 . 1 1 52 52 LEU HB3 H 1 1.358 0.02 . 1 . . . . . 52 LEU HB3 . 27524 1 585 . 1 1 52 52 LEU HG H 1 1.58 0.02 . 1 . . . . . 52 LEU HG . 27524 1 586 . 1 1 52 52 LEU HD11 H 1 0.933 0.02 . 1 . . . . . 52 LEU HD1 . 27524 1 587 . 1 1 52 52 LEU HD12 H 1 0.933 0.02 . 1 . . . . . 52 LEU HD1 . 27524 1 588 . 1 1 52 52 LEU HD13 H 1 0.933 0.02 . 1 . . . . . 52 LEU HD1 . 27524 1 589 . 1 1 52 52 LEU HD21 H 1 0.816 0.02 . 1 . . . . . 52 LEU HD2 . 27524 1 590 . 1 1 52 52 LEU HD22 H 1 0.816 0.02 . 1 . . . . . 52 LEU HD2 . 27524 1 591 . 1 1 52 52 LEU HD23 H 1 0.816 0.02 . 1 . . . . . 52 LEU HD2 . 27524 1 592 . 1 1 52 52 LEU C C 13 174.223 0.3 . 1 . . . . . 52 LEU C . 27524 1 593 . 1 1 52 52 LEU CA C 13 52.487 0.3 . 1 . . . . . 52 LEU CA . 27524 1 594 . 1 1 52 52 LEU CB C 13 42.565 0.3 . 1 . . . . . 52 LEU CB . 27524 1 595 . 1 1 52 52 LEU N N 15 113.276 0.3 . 1 . . . . . 52 LEU N . 27524 1 596 . 1 1 53 53 PRO HA H 1 4.081 0.02 . 1 . . . . . 53 PRO HA . 27524 1 597 . 1 1 53 53 PRO HB2 H 1 2.375 0.02 . 1 . . . . . 53 PRO HB2 . 27524 1 598 . 1 1 53 53 PRO HB3 H 1 1.916 0.02 . 1 . . . . . 53 PRO HB3 . 27524 1 599 . 1 1 53 53 PRO HG2 H 1 1.787 0.02 . 1 . . . . . 53 PRO HG2 . 27524 1 600 . 1 1 53 53 PRO HG3 H 1 1.654 0.02 . 1 . . . . . 53 PRO HG3 . 27524 1 601 . 1 1 53 53 PRO HD2 H 1 4.032 0.02 . 1 . . . . . 53 PRO HD2 . 27524 1 602 . 1 1 53 53 PRO HD3 H 1 3.893 0.02 . 1 . . . . . 53 PRO HD3 . 27524 1 603 . 1 1 53 53 PRO C C 13 175.692 0.3 . 1 . . . . . 53 PRO C . 27524 1 604 . 1 1 53 53 PRO CA C 13 62.977 0.3 . 1 . . . . . 53 PRO CA . 27524 1 605 . 1 1 53 53 PRO CB C 13 32.737 0.3 . 1 . . . . . 53 PRO CB . 27524 1 606 . 1 1 53 53 PRO CG C 13 27.062 0.3 . 1 . . . . . 53 PRO CG . 27524 1 607 . 1 1 53 53 PRO CD C 13 52.27 0.3 . 1 . . . . . 53 PRO CD . 27524 1 608 . 1 1 54 54 ASN H H 1 9.605 0.02 . 1 . . . . . 54 ASN H . 27524 1 609 . 1 1 54 54 ASN HA H 1 4.201 0.02 . 1 . . . . . 54 ASN HA . 27524 1 610 . 1 1 54 54 ASN HB2 H 1 2.363 0.02 . 1 . . . . . 54 ASN HB2 . 27524 1 611 . 1 1 54 54 ASN HB3 H 1 2.222 0.02 . 1 . . . . . 54 ASN HB3 . 27524 1 612 . 1 1 54 54 ASN HD21 H 1 7.277 0.02 . 1 . . . . . 54 ASN HD21 . 27524 1 613 . 1 1 54 54 ASN HD22 H 1 6.763 0.02 . 1 . . . . . 54 ASN HD22 . 27524 1 614 . 1 1 54 54 ASN C C 13 175.342 0.3 . 1 . . . . . 54 ASN C . 27524 1 615 . 1 1 54 54 ASN CA C 13 54.755 0.3 . 1 . . . . . 54 ASN CA . 27524 1 616 . 1 1 54 54 ASN CB C 13 37.179 0.3 . 1 . . . . . 54 ASN CB . 27524 1 617 . 1 1 54 54 ASN N N 15 112.858 0.3 . 1 . . . . . 54 ASN N . 27524 1 618 . 1 1 54 54 ASN ND2 N 15 112.471 0.3 . 1 . . . . . 54 ASN ND2 . 27524 1 619 . 1 1 55 55 TYR H H 1 7.733 0.02 . 1 . . . . . 55 TYR H . 27524 1 620 . 1 1 55 55 TYR HA H 1 5.204 0.02 . 1 . . . . . 55 TYR HA . 27524 1 621 . 1 1 55 55 TYR HB2 H 1 2.863 0.02 . 1 . . . . . 55 TYR HB2 . 27524 1 622 . 1 1 55 55 TYR HB3 H 1 2.718 0.02 . 1 . . . . . 55 TYR HB3 . 27524 1 623 . 1 1 55 55 TYR HD1 H 1 6.779 0.02 . 1 . . . . . 55 TYR HD1 . 27524 1 624 . 1 1 55 55 TYR HE1 H 1 6.835 0.02 . 1 . . . . . 55 TYR HE1 . 27524 1 625 . 1 1 55 55 TYR C C 13 175.837 0.3 . 1 . . . . . 55 TYR C . 27524 1 626 . 1 1 55 55 TYR CA C 13 54.661 0.3 . 1 . . . . . 55 TYR CA . 27524 1 627 . 1 1 55 55 TYR CB C 13 36.517 0.3 . 1 . . . . . 55 TYR CB . 27524 1 628 . 1 1 55 55 TYR N N 15 112.46 0.3 . 1 . . . . . 55 TYR N . 27524 1 629 . 1 1 56 56 ARG H H 1 6.113 0.02 . 1 . . . . . 56 ARG H . 27524 1 630 . 1 1 56 56 ARG HA H 1 4.73 0.02 . 1 . . . . . 56 ARG HA . 27524 1 631 . 1 1 56 56 ARG HB2 H 1 1.844 0.02 . 1 . . . . . 56 ARG HB2 . 27524 1 632 . 1 1 56 56 ARG HB3 H 1 1.829 0.02 . 1 . . . . . 56 ARG HB3 . 27524 1 633 . 1 1 56 56 ARG HG2 H 1 1.527 0.02 . 1 . . . . . 56 ARG HG2 . 27524 1 634 . 1 1 56 56 ARG HG3 H 1 1.487 0.02 . 1 . . . . . 56 ARG HG3 . 27524 1 635 . 1 1 56 56 ARG HD2 H 1 3.139 0.02 . 1 . . . . . 56 ARG HD2 . 27524 1 636 . 1 1 56 56 ARG HD3 H 1 3.063 0.02 . 1 . . . . . 56 ARG HD3 . 27524 1 637 . 1 1 56 56 ARG HE H 1 7.047 0.02 . 1 . . . . . 56 ARG HE . 27524 1 638 . 1 1 56 56 ARG C C 13 174.481 0.3 . 1 . . . . . 56 ARG C . 27524 1 639 . 1 1 56 56 ARG CA C 13 54.566 0.3 . 1 . . . . . 56 ARG CA . 27524 1 640 . 1 1 56 56 ARG CB C 13 34.344 0.3 . 1 . . . . . 56 ARG CB . 27524 1 641 . 1 1 56 56 ARG CG C 13 27.588 0.3 . 1 . . . . . 56 ARG CG . 27524 1 642 . 1 1 56 56 ARG CD C 13 43.734 0.3 . 1 . . . . . 56 ARG CD . 27524 1 643 . 1 1 56 56 ARG N N 15 117.4 0.3 . 1 . . . . . 56 ARG N . 27524 1 644 . 1 1 57 57 GLY H H 1 8.375 0.02 . 1 . . . . . 57 GLY H . 27524 1 645 . 1 1 57 57 GLY HA2 H 1 4.179 0.02 . 1 . . . . . 57 GLY HA2 . 27524 1 646 . 1 1 57 57 GLY HA3 H 1 3.82 0.02 . 1 . . . . . 57 GLY HA3 . 27524 1 647 . 1 1 57 57 GLY C C 13 173.771 0.3 . 1 . . . . . 57 GLY C . 27524 1 648 . 1 1 57 57 GLY CA C 13 44.549 0.3 . 1 . . . . . 57 GLY CA . 27524 1 649 . 1 1 57 57 GLY N N 15 105.218 0.3 . 1 . . . . . 57 GLY N . 27524 1 650 . 1 1 58 58 ARG H H 1 8.743 0.02 . 1 . . . . . 58 ARG H . 27524 1 651 . 1 1 58 58 ARG HA H 1 4.231 0.02 . 1 . . . . . 58 ARG HA . 27524 1 652 . 1 1 58 58 ARG HB2 H 1 1.555 0.02 . 1 . . . . . 58 ARG HB2 . 27524 1 653 . 1 1 58 58 ARG HB3 H 1 1.42 0.02 . 1 . . . . . 58 ARG HB3 . 27524 1 654 . 1 1 58 58 ARG HG2 H 1 1.934 0.02 . 1 . . . . . 58 ARG HG2 . 27524 1 655 . 1 1 58 58 ARG HG3 H 1 1.628 0.02 . 1 . . . . . 58 ARG HG3 . 27524 1 656 . 1 1 58 58 ARG HE H 1 7.549 0.02 . 1 . . . . . 58 ARG HE . 27524 1 657 . 1 1 58 58 ARG CA C 13 58.346 0.3 . 1 . . . . . 58 ARG CA . 27524 1 658 . 1 1 58 58 ARG CB C 13 30.091 0.3 . 1 . . . . . 58 ARG CB . 27524 1 659 . 1 1 58 58 ARG N N 15 120.657 0.3 . 1 . . . . . 58 ARG N . 27524 1 660 . 1 1 59 59 GLN HA H 1 3.636 0.02 . 1 . . . . . 59 GLN HA . 27524 1 661 . 1 1 59 59 GLN HB2 H 1 2.684 0.02 . 1 . . . . . 59 GLN HB2 . 27524 1 662 . 1 1 59 59 GLN HB3 H 1 2.632 0.02 . 1 . . . . . 59 GLN HB3 . 27524 1 663 . 1 1 59 59 GLN HG2 H 1 2.778 0.02 . 1 . . . . . 59 GLN HG2 . 27524 1 664 . 1 1 59 59 GLN HG3 H 1 2.694 0.02 . 1 . . . . . 59 GLN HG3 . 27524 1 665 . 1 1 59 59 GLN HE21 H 1 7.295 0.02 . 1 . . . . . 59 GLN HE21 . 27524 1 666 . 1 1 59 59 GLN HE22 H 1 6.708 0.02 . 1 . . . . . 59 GLN HE22 . 27524 1 667 . 1 1 59 59 GLN C C 13 173.986 0.3 . 1 . . . . . 59 GLN C . 27524 1 668 . 1 1 59 59 GLN CA C 13 56.834 0.3 . 1 . . . . . 59 GLN CA . 27524 1 669 . 1 1 59 59 GLN CB C 13 30.091 0.3 . 1 . . . . . 59 GLN CB . 27524 1 670 . 1 1 59 59 GLN CG C 13 36.542 0.3 . 1 . . . . . 59 GLN CG . 27524 1 671 . 1 1 59 59 GLN NE2 N 15 113.43 0.3 . 1 . . . . . 59 GLN NE2 . 27524 1 672 . 1 1 60 60 TYR H H 1 7.563 0.02 . 1 . . . . . 60 TYR H . 27524 1 673 . 1 1 60 60 TYR HA H 1 4.567 0.02 . 1 . . . . . 60 TYR HA . 27524 1 674 . 1 1 60 60 TYR HB2 H 1 3.024 0.02 . 1 . . . . . 60 TYR HB2 . 27524 1 675 . 1 1 60 60 TYR HB3 H 1 2.938 0.02 . 1 . . . . . 60 TYR HB3 . 27524 1 676 . 1 1 60 60 TYR HD1 H 1 6.965 0.02 . 1 . . . . . 60 TYR HD1 . 27524 1 677 . 1 1 60 60 TYR HE1 H 1 7.076 0.02 . 1 . . . . . 60 TYR HE1 . 27524 1 678 . 1 1 60 60 TYR C C 13 175.837 0.3 . 1 . . . . . 60 TYR C . 27524 1 679 . 1 1 60 60 TYR CA C 13 52.298 0.3 . 1 . . . . . 60 TYR CA . 27524 1 680 . 1 1 60 60 TYR CB C 13 39.825 0.3 . 1 . . . . . 60 TYR CB . 27524 1 681 . 1 1 60 60 TYR N N 15 114.287 0.3 . 1 . . . . . 60 TYR N . 27524 1 682 . 1 1 61 61 LEU H H 1 8.092 0.02 . 1 . . . . . 61 LEU H . 27524 1 683 . 1 1 61 61 LEU HA H 1 4.784 0.02 . 1 . . . . . 61 LEU HA . 27524 1 684 . 1 1 61 61 LEU HB2 H 1 1.784 0.02 . 1 . . . . . 61 LEU HB2 . 27524 1 685 . 1 1 61 61 LEU HB3 H 1 1.682 0.02 . 1 . . . . . 61 LEU HB3 . 27524 1 686 . 1 1 61 61 LEU HG H 1 1.157 0.02 . 1 . . . . . 61 LEU HG . 27524 1 687 . 1 1 61 61 LEU HD11 H 1 0.677 0.02 . 1 . . . . . 61 LEU HD1 . 27524 1 688 . 1 1 61 61 LEU HD12 H 1 0.677 0.02 . 1 . . . . . 61 LEU HD1 . 27524 1 689 . 1 1 61 61 LEU HD13 H 1 0.677 0.02 . 1 . . . . . 61 LEU HD1 . 27524 1 690 . 1 1 61 61 LEU HD21 H 1 0.561 0.02 . 1 . . . . . 61 LEU HD2 . 27524 1 691 . 1 1 61 61 LEU HD22 H 1 0.561 0.02 . 1 . . . . . 61 LEU HD2 . 27524 1 692 . 1 1 61 61 LEU HD23 H 1 0.561 0.02 . 1 . . . . . 61 LEU HD2 . 27524 1 693 . 1 1 61 61 LEU C C 13 178.354 0.3 . 1 . . . . . 61 LEU C . 27524 1 694 . 1 1 61 61 LEU CA C 13 53.621 0.3 . 1 . . . . . 61 LEU CA . 27524 1 695 . 1 1 61 61 LEU CB C 13 41.904 0.3 . 1 . . . . . 61 LEU CB . 27524 1 696 . 1 1 61 61 LEU CG C 13 30.421 0.3 . 1 . . . . . 61 LEU CG . 27524 1 697 . 1 1 61 61 LEU CD1 C 13 30.179 0.3 . 1 . . . . . 61 LEU CD1 . 27524 1 698 . 1 1 61 61 LEU CD2 C 13 28.899 0.3 . 1 . . . . . 61 LEU CD2 . 27524 1 699 . 1 1 61 61 LEU N N 15 124.026 0.3 . 1 . . . . . 61 LEU N . 27524 1 700 . 1 1 62 62 LEU H H 1 9.234 0.02 . 1 . . . . . 62 LEU H . 27524 1 701 . 1 1 62 62 LEU HA H 1 4.78 0.02 . 1 . . . . . 62 LEU HA . 27524 1 702 . 1 1 62 62 LEU HB2 H 1 1.794 0.02 . 1 . . . . . 62 LEU HB2 . 27524 1 703 . 1 1 62 62 LEU HB3 H 1 1.672 0.02 . 1 . . . . . 62 LEU HB3 . 27524 1 704 . 1 1 62 62 LEU HG H 1 1.137 0.02 . 1 . . . . . 62 LEU HG . 27524 1 705 . 1 1 62 62 LEU HD11 H 1 0.667 0.02 . 1 . . . . . 62 LEU HD1 . 27524 1 706 . 1 1 62 62 LEU HD12 H 1 0.667 0.02 . 1 . . . . . 62 LEU HD1 . 27524 1 707 . 1 1 62 62 LEU HD13 H 1 0.667 0.02 . 1 . . . . . 62 LEU HD1 . 27524 1 708 . 1 1 62 62 LEU HD21 H 1 0.541 0.02 . 1 . . . . . 62 LEU HD2 . 27524 1 709 . 1 1 62 62 LEU HD22 H 1 0.541 0.02 . 1 . . . . . 62 LEU HD2 . 27524 1 710 . 1 1 62 62 LEU HD23 H 1 0.541 0.02 . 1 . . . . . 62 LEU HD2 . 27524 1 711 . 1 1 62 62 LEU C C 13 174.739 0.3 . 1 . . . . . 62 LEU C . 27524 1 712 . 1 1 62 62 LEU CA C 13 53.362 0.3 . 1 . . . . . 62 LEU CA . 27524 1 713 . 1 1 62 62 LEU CB C 13 42.3 0.3 . 1 . . . . . 62 LEU CB . 27524 1 714 . 1 1 62 62 LEU N N 15 129.864 0.3 . 1 . . . . . 62 LEU N . 27524 1 715 . 1 1 63 63 ASP H H 1 8.201 0.02 . 1 . . . . . 63 ASP H . 27524 1 716 . 1 1 63 63 ASP HA H 1 4.42 0.02 . 1 . . . . . 63 ASP HA . 27524 1 717 . 1 1 63 63 ASP HB2 H 1 3.183 0.02 . 1 . . . . . 63 ASP HB2 . 27524 1 718 . 1 1 63 63 ASP HB3 H 1 2.657 0.02 . 1 . . . . . 63 ASP HB3 . 27524 1 719 . 1 1 63 63 ASP C C 13 174.718 0.3 . 1 . . . . . 63 ASP C . 27524 1 720 . 1 1 63 63 ASP CA C 13 55.039 0.3 . 1 . . . . . 63 ASP CA . 27524 1 721 . 1 1 63 63 ASP CB C 13 41.242 0.3 . 1 . . . . . 63 ASP CB . 27524 1 722 . 1 1 63 63 ASP N N 15 118.746 0.3 . 1 . . . . . 63 ASP N . 27524 1 723 . 1 1 64 64 LYS H H 1 7.824 0.02 . 1 . . . . . 64 LYS H . 27524 1 724 . 1 1 64 64 LYS HA H 1 4.681 0.02 . 1 . . . . . 64 LYS HA . 27524 1 725 . 1 1 64 64 LYS HB2 H 1 2.213 0.02 . 1 . . . . . 64 LYS HB2 . 27524 1 726 . 1 1 64 64 LYS HB3 H 1 2.127 0.02 . 1 . . . . . 64 LYS HB3 . 27524 1 727 . 1 1 64 64 LYS C C 13 174.89 0.3 . 1 . . . . . 64 LYS C . 27524 1 728 . 1 1 64 64 LYS CA C 13 56.456 0.3 . 1 . . . . . 64 LYS CA . 27524 1 729 . 1 1 64 64 LYS CB C 13 35.761 0.3 . 1 . . . . . 64 LYS CB . 27524 1 730 . 1 1 64 64 LYS N N 15 111.511 0.3 . 1 . . . . . 64 LYS N . 27524 1 731 . 1 1 65 65 LYS HA H 1 5.179 0.02 . 1 . . . . . 65 LYS HA . 27524 1 732 . 1 1 65 65 LYS HB2 H 1 1.962 0.02 . 1 . . . . . 65 LYS HB2 . 27524 1 733 . 1 1 65 65 LYS HB3 H 1 1.944 0.02 . 1 . . . . . 65 LYS HB3 . 27524 1 734 . 1 1 65 65 LYS HG2 H 1 1.684 0.02 . 1 . . . . . 65 LYS HG2 . 27524 1 735 . 1 1 65 65 LYS HG3 H 1 1.639 0.02 . 1 . . . . . 65 LYS HG3 . 27524 1 736 . 1 1 65 65 LYS HD2 H 1 1.738 0.02 . 1 . . . . . 65 LYS HD2 . 27524 1 737 . 1 1 65 65 LYS HD3 H 1 1.64 0.02 . 1 . . . . . 65 LYS HD3 . 27524 1 738 . 1 1 65 65 LYS HE2 H 1 2.963 0.02 . 1 . . . . . 65 LYS HE2 . 27524 1 739 . 1 1 65 65 LYS HE3 H 1 2.879 0.02 . 1 . . . . . 65 LYS HE3 . 27524 1 740 . 1 1 65 65 LYS C C 13 176.826 0.3 . 1 . . . . . 65 LYS C . 27524 1 741 . 1 1 65 65 LYS CA C 13 54.414 0.3 . 1 . . . . . 65 LYS CA . 27524 1 742 . 1 1 65 65 LYS CB C 13 34.533 0.3 . 1 . . . . . 65 LYS CB . 27524 1 743 . 1 1 66 66 GLU H H 1 8.264 0.02 . 1 . . . . . 66 GLU H . 27524 1 744 . 1 1 66 66 GLU HA H 1 3.438 0.02 . 1 . . . . . 66 GLU HA . 27524 1 745 . 1 1 66 66 GLU HB2 H 1 2.156 0.02 . 1 . . . . . 66 GLU HB2 . 27524 1 746 . 1 1 66 66 GLU HB3 H 1 2.062 0.02 . 1 . . . . . 66 GLU HB3 . 27524 1 747 . 1 1 66 66 GLU HG2 H 1 2.315 0.02 . 1 . . . . . 66 GLU HG2 . 27524 1 748 . 1 1 66 66 GLU HG3 H 1 2.21 0.02 . 1 . . . . . 66 GLU HG3 . 27524 1 749 . 1 1 66 66 GLU C C 13 174.825 0.3 . 1 . . . . . 66 GLU C . 27524 1 750 . 1 1 66 66 GLU CA C 13 56.834 0.3 . 1 . . . . . 66 GLU CA . 27524 1 751 . 1 1 66 66 GLU CB C 13 30.564 0.3 . 1 . . . . . 66 GLU CB . 27524 1 752 . 1 1 66 66 GLU N N 15 120.992 0.3 . 1 . . . . . 66 GLU N . 27524 1 753 . 1 1 67 67 TYR H H 1 8.975 0.02 . 1 . . . . . 67 TYR H . 27524 1 754 . 1 1 67 67 TYR HA H 1 4.706 0.02 . 1 . . . . . 67 TYR HA . 27524 1 755 . 1 1 67 67 TYR HB2 H 1 3.27 0.02 . 1 . . . . . 67 TYR HB2 . 27524 1 756 . 1 1 67 67 TYR HB3 H 1 3.065 0.02 . 1 . . . . . 67 TYR HB3 . 27524 1 757 . 1 1 67 67 TYR HD1 H 1 6.865 0.02 . 1 . . . . . 67 TYR HD1 . 27524 1 758 . 1 1 67 67 TYR HE1 H 1 7.056 0.02 . 1 . . . . . 67 TYR HE1 . 27524 1 759 . 1 1 67 67 TYR C C 13 174.158 0.3 . 1 . . . . . 67 TYR C . 27524 1 760 . 1 1 67 67 TYR CA C 13 58.063 0.3 . 1 . . . . . 67 TYR CA . 27524 1 761 . 1 1 67 67 TYR CB C 13 40.675 0.3 . 1 . . . . . 67 TYR CB . 27524 1 762 . 1 1 67 67 TYR N N 15 124.544 0.3 . 1 . . . . . 67 TYR N . 27524 1 763 . 1 1 68 68 ARG H H 1 8.917 0.02 . 1 . . . . . 68 ARG H . 27524 1 764 . 1 1 68 68 ARG HA H 1 4.706 0.02 . 1 . . . . . 68 ARG HA . 27524 1 765 . 1 1 68 68 ARG HB2 H 1 1.829 0.02 . 1 . . . . . 68 ARG HB2 . 27524 1 766 . 1 1 68 68 ARG HB3 H 1 1.645 0.02 . 1 . . . . . 68 ARG HB3 . 27524 1 767 . 1 1 68 68 ARG HG2 H 1 1.559 0.02 . 1 . . . . . 68 ARG HG2 . 27524 1 768 . 1 1 68 68 ARG HG3 H 1 1.464 0.02 . 1 . . . . . 68 ARG HG3 . 27524 1 769 . 1 1 68 68 ARG HD2 H 1 3.175 0.02 . 1 . . . . . 68 ARG HD2 . 27524 1 770 . 1 1 68 68 ARG HD3 H 1 3.053 0.02 . 1 . . . . . 68 ARG HD3 . 27524 1 771 . 1 1 68 68 ARG HE H 1 7.515 0.02 . 1 . . . . . 68 ARG HE . 27524 1 772 . 1 1 68 68 ARG C C 13 174.18 0.3 . 1 . . . . . 68 ARG C . 27524 1 773 . 1 1 68 68 ARG CA C 13 60.047 0.3 . 1 . . . . . 68 ARG CA . 27524 1 774 . 1 1 68 68 ARG CB C 13 31.792 0.3 . 1 . . . . . 68 ARG CB . 27524 1 775 . 1 1 68 68 ARG N N 15 124.616 0.3 . 1 . . . . . 68 ARG N . 27524 1 776 . 1 1 69 69 LYS H H 1 7.78 0.02 . 1 . . . . . 69 LYS H . 27524 1 777 . 1 1 69 69 LYS HA H 1 4.68 0.02 . 1 . . . . . 69 LYS HA . 27524 1 778 . 1 1 69 69 LYS HB2 H 1 2.176 0.02 . 1 . . . . . 69 LYS HB2 . 27524 1 779 . 1 1 69 69 LYS HB3 H 1 1.723 0.02 . 1 . . . . . 69 LYS HB3 . 27524 1 780 . 1 1 69 69 LYS HG2 H 1 1.433 0.02 . 1 . . . . . 69 LYS HG2 . 27524 1 781 . 1 1 69 69 LYS HG3 H 1 1.31 0.02 . 1 . . . . . 69 LYS HG3 . 27524 1 782 . 1 1 69 69 LYS HD2 H 1 1.576 0.02 . 1 . . . . . 69 LYS HD2 . 27524 1 783 . 1 1 69 69 LYS HD3 H 1 1.509 0.02 . 1 . . . . . 69 LYS HD3 . 27524 1 784 . 1 1 69 69 LYS HE2 H 1 3.183 0.02 . 1 . . . . . 69 LYS HE2 . 27524 1 785 . 1 1 69 69 LYS HE3 H 1 2.845 0.02 . 1 . . . . . 69 LYS HE3 . 27524 1 786 . 1 1 69 69 LYS C C 13 176.009 0.3 . 1 . . . . . 69 LYS C . 27524 1 787 . 1 1 69 69 LYS CA C 13 55.984 0.3 . 1 . . . . . 69 LYS CA . 27524 1 788 . 1 1 69 69 LYS CB C 13 30.186 0.3 . 1 . . . . . 69 LYS CB . 27524 1 789 . 1 1 69 69 LYS N N 15 113.709 0.3 . 1 . . . . . 69 LYS N . 27524 1 790 . 1 1 70 70 PRO HA H 1 4.645 0.02 . 1 . . . . . 70 PRO HA . 27524 1 791 . 1 1 70 70 PRO HB2 H 1 1.63 0.02 . 1 . . . . . 70 PRO HB2 . 27524 1 792 . 1 1 70 70 PRO HB3 H 1 1.346 0.02 . 1 . . . . . 70 PRO HB3 . 27524 1 793 . 1 1 70 70 PRO HG2 H 1 1.812 0.02 . 1 . . . . . 70 PRO HG2 . 27524 1 794 . 1 1 70 70 PRO HG3 H 1 1.567 0.02 . 1 . . . . . 70 PRO HG3 . 27524 1 795 . 1 1 70 70 PRO C C 13 177.537 0.3 . 1 . . . . . 70 PRO C . 27524 1 796 . 1 1 70 70 PRO CA C 13 64.3 0.3 . 1 . . . . . 70 PRO CA . 27524 1 797 . 1 1 70 70 PRO CB C 13 31.698 0.3 . 1 . . . . . 70 PRO CB . 27524 1 798 . 1 1 70 70 PRO CG C 13 27.227 0.3 . 1 . . . . . 70 PRO CG . 27524 1 799 . 1 1 70 70 PRO CD C 13 47.67 0.3 . 1 . . . . . 70 PRO CD . 27524 1 800 . 1 1 71 71 ILE H H 1 7.057 0.02 . 1 . . . . . 71 ILE H . 27524 1 801 . 1 1 71 71 ILE HA H 1 4.1 0.02 . 1 . . . . . 71 ILE HA . 27524 1 802 . 1 1 71 71 ILE HB H 1 1.555 0.02 . 1 . . . . . 71 ILE HB . 27524 1 803 . 1 1 71 71 ILE HG12 H 1 1.57 0.02 . 1 . . . . . 71 ILE HG12 . 27524 1 804 . 1 1 71 71 ILE HG13 H 1 1.51 0.02 . 1 . . . . . 71 ILE HG13 . 27524 1 805 . 1 1 71 71 ILE HG21 H 1 0.895 0.02 . 1 . . . . . 71 ILE HG2 . 27524 1 806 . 1 1 71 71 ILE HG22 H 1 0.895 0.02 . 1 . . . . . 71 ILE HG2 . 27524 1 807 . 1 1 71 71 ILE HG23 H 1 0.895 0.02 . 1 . . . . . 71 ILE HG2 . 27524 1 808 . 1 1 71 71 ILE HD11 H 1 0.858 0.02 . 1 . . . . . 71 ILE HD1 . 27524 1 809 . 1 1 71 71 ILE HD12 H 1 0.858 0.02 . 1 . . . . . 71 ILE HD1 . 27524 1 810 . 1 1 71 71 ILE HD13 H 1 0.858 0.02 . 1 . . . . . 71 ILE HD1 . 27524 1 811 . 1 1 71 71 ILE C C 13 178.354 0.3 . 1 . . . . . 71 ILE C . 27524 1 812 . 1 1 71 71 ILE CA C 13 61.465 0.3 . 1 . . . . . 71 ILE CA . 27524 1 813 . 1 1 71 71 ILE CB C 13 38.029 0.3 . 1 . . . . . 71 ILE CB . 27524 1 814 . 1 1 71 71 ILE CG1 C 13 29.57 0.3 . 1 . . . . . 71 ILE CG1 . 27524 1 815 . 1 1 71 71 ILE CG2 C 13 18.83 0.3 . 1 . . . . . 71 ILE CG2 . 27524 1 816 . 1 1 71 71 ILE CD1 C 13 15.761 0.3 . 1 . . . . . 71 ILE CD1 . 27524 1 817 . 1 1 71 71 ILE N N 15 113.716 0.3 . 1 . . . . . 71 ILE N . 27524 1 818 . 1 1 72 72 ASP H H 1 8.092 0.02 . 1 . . . . . 72 ASP H . 27524 1 819 . 1 1 72 72 ASP HA H 1 4.485 0.02 . 1 . . . . . 72 ASP HA . 27524 1 820 . 1 1 72 72 ASP HB2 H 1 3.163 0.02 . 1 . . . . . 72 ASP HB2 . 27524 1 821 . 1 1 72 72 ASP HB3 H 1 2.969 0.02 . 1 . . . . . 72 ASP HB3 . 27524 1 822 . 1 1 72 72 ASP C C 13 178.397 0.3 . 1 . . . . . 72 ASP C . 27524 1 823 . 1 1 72 72 ASP CA C 13 58.157 0.3 . 1 . . . . . 72 ASP CA . 27524 1 824 . 1 1 72 72 ASP CB C 13 41.715 0.3 . 1 . . . . . 72 ASP CB . 27524 1 825 . 1 1 72 72 ASP N N 15 123.916 0.3 . 1 . . . . . 72 ASP N . 27524 1 826 . 1 1 73 73 TRP H H 1 7.518 0.02 . 1 . . . . . 73 TRP H . 27524 1 827 . 1 1 73 73 TRP HA H 1 5.142 0.02 . 1 . . . . . 73 TRP HA . 27524 1 828 . 1 1 73 73 TRP HB2 H 1 3.168 0.02 . 1 . . . . . 73 TRP HB2 . 27524 1 829 . 1 1 73 73 TRP HB3 H 1 2.404 0.02 . 1 . . . . . 73 TRP HB3 . 27524 1 830 . 1 1 73 73 TRP HD1 H 1 7.056 0.02 . 1 . . . . . 73 TRP HD1 . 27524 1 831 . 1 1 73 73 TRP HE1 H 1 9.925 0.02 . 1 . . . . . 73 TRP HE1 . 27524 1 832 . 1 1 73 73 TRP HE3 H 1 7.016 0.02 . 1 . . . . . 73 TRP HE3 . 27524 1 833 . 1 1 73 73 TRP HZ2 H 1 6.969 0.02 . 1 . . . . . 73 TRP HZ2 . 27524 1 834 . 1 1 73 73 TRP HZ3 H 1 6.947 0.02 . 1 . . . . . 73 TRP HZ3 . 27524 1 835 . 1 1 73 73 TRP HH2 H 1 6.881 0.02 . 1 . . . . . 73 TRP HH2 . 27524 1 836 . 1 1 73 73 TRP C C 13 175.578 0.3 . 1 . . . . . 73 TRP C . 27524 1 837 . 1 1 73 73 TRP CA C 13 57.779 0.3 . 1 . . . . . 73 TRP CA . 27524 1 838 . 1 1 73 73 TRP CB C 13 27.445 0.3 . 1 . . . . . 73 TRP CB . 27524 1 839 . 1 1 73 73 TRP N N 15 116.565 0.3 . 1 . . . . . 73 TRP N . 27524 1 840 . 1 1 74 74 GLY H H 1 7.743 0.02 . 1 . . . . . 74 GLY H . 27524 1 841 . 1 1 74 74 GLY HA2 H 1 4.463 0.02 . 1 . . . . . 74 GLY HA2 . 27524 1 842 . 1 1 74 74 GLY HA3 H 1 3.71 0.02 . 1 . . . . . 74 GLY HA3 . 27524 1 843 . 1 1 74 74 GLY C C 13 173.771 0.3 . 1 . . . . . 74 GLY C . 27524 1 844 . 1 1 74 74 GLY CA C 13 45.683 0.3 . 1 . . . . . 74 GLY CA . 27524 1 845 . 1 1 74 74 GLY N N 15 107.981 0.3 . 1 . . . . . 74 GLY N . 27524 1 846 . 1 1 75 75 ALA H H 1 7.022 0.02 . 1 . . . . . 75 ALA H . 27524 1 847 . 1 1 75 75 ALA HA H 1 4.42 0.02 . 1 . . . . . 75 ALA HA . 27524 1 848 . 1 1 75 75 ALA HB1 H 1 1.265 0.02 . 1 . . . . . 75 ALA HB . 27524 1 849 . 1 1 75 75 ALA HB2 H 1 1.265 0.02 . 1 . . . . . 75 ALA HB . 27524 1 850 . 1 1 75 75 ALA HB3 H 1 1.265 0.02 . 1 . . . . . 75 ALA HB . 27524 1 851 . 1 1 75 75 ALA C C 13 176.009 0.3 . 1 . . . . . 75 ALA C . 27524 1 852 . 1 1 75 75 ALA CA C 13 51.826 0.3 . 1 . . . . . 75 ALA CA . 27524 1 853 . 1 1 75 75 ALA CB C 13 23.476 0.3 . 1 . . . . . 75 ALA CB . 27524 1 854 . 1 1 75 75 ALA N N 15 123.909 0.3 . 1 . . . . . 75 ALA N . 27524 1 855 . 1 1 76 76 ALA H H 1 8.481 0.02 . 1 . . . . . 76 ALA H . 27524 1 856 . 1 1 76 76 ALA HA H 1 4.106 0.02 . 1 . . . . . 76 ALA HA . 27524 1 857 . 1 1 76 76 ALA HB1 H 1 1.359 0.02 . 1 . . . . . 76 ALA HB . 27524 1 858 . 1 1 76 76 ALA HB2 H 1 1.359 0.02 . 1 . . . . . 76 ALA HB . 27524 1 859 . 1 1 76 76 ALA HB3 H 1 1.359 0.02 . 1 . . . . . 76 ALA HB . 27524 1 860 . 1 1 76 76 ALA C C 13 175.837 0.3 . 1 . . . . . 76 ALA C . 27524 1 861 . 1 1 76 76 ALA CA C 13 52.298 0.3 . 1 . . . . . 76 ALA CA . 27524 1 862 . 1 1 76 76 ALA CB C 13 19.791 0.3 . 1 . . . . . 76 ALA CB . 27524 1 863 . 1 1 76 76 ALA N N 15 121.646 0.3 . 1 . . . . . 76 ALA N . 27524 1 864 . 1 1 77 77 SER H H 1 7.537 0.02 . 1 . . . . . 77 SER H . 27524 1 865 . 1 1 77 77 SER HA H 1 4.749 0.02 . 1 . . . . . 77 SER HA . 27524 1 866 . 1 1 77 77 SER HB2 H 1 3.674 0.02 . 1 . . . . . 77 SER HB2 . 27524 1 867 . 1 1 77 77 SER HB3 H 1 3.546 0.02 . 1 . . . . . 77 SER HB3 . 27524 1 868 . 1 1 77 77 SER C C 13 175.944 0.3 . 1 . . . . . 77 SER C . 27524 1 869 . 1 1 77 77 SER CA C 13 55.984 0.3 . 1 . . . . . 77 SER CA . 27524 1 870 . 1 1 77 77 SER CB C 13 65.717 0.3 . 1 . . . . . 77 SER CB . 27524 1 871 . 1 1 77 77 SER N N 15 113.835 0.3 . 1 . . . . . 77 SER N . 27524 1 872 . 1 1 78 78 PRO HA H 1 4.508 0.02 . 1 . . . . . 78 PRO HA . 27524 1 873 . 1 1 78 78 PRO HB2 H 1 1.546 0.02 . 1 . . . . . 78 PRO HB2 . 27524 1 874 . 1 1 78 78 PRO HB3 H 1 1.087 0.02 . 1 . . . . . 78 PRO HB3 . 27524 1 875 . 1 1 78 78 PRO HG2 H 1 1.581 0.02 . 1 . . . . . 78 PRO HG2 . 27524 1 876 . 1 1 78 78 PRO HG3 H 1 1.498 0.02 . 1 . . . . . 78 PRO HG3 . 27524 1 877 . 1 1 78 78 PRO HD2 H 1 3.993 0.02 . 1 . . . . . 78 PRO HD2 . 27524 1 878 . 1 1 78 78 PRO HD3 H 1 3.847 0.02 . 1 . . . . . 78 PRO HD3 . 27524 1 879 . 1 1 78 78 PRO C C 13 173.986 0.3 . 1 . . . . . 78 PRO C . 27524 1 880 . 1 1 78 78 PRO CA C 13 63.355 0.3 . 1 . . . . . 78 PRO CA . 27524 1 881 . 1 1 78 78 PRO CB C 13 30.942 0.3 . 1 . . . . . 78 PRO CB . 27524 1 882 . 1 1 78 78 PRO CG C 13 27.548 0.3 . 1 . . . . . 78 PRO CG . 27524 1 883 . 1 1 78 78 PRO CD C 13 49.428 0.3 . 1 . . . . . 78 PRO CD . 27524 1 884 . 1 1 79 79 ALA H H 1 7.33 0.02 . 1 . . . . . 79 ALA H . 27524 1 885 . 1 1 79 79 ALA HA H 1 4.377 0.02 . 1 . . . . . 79 ALA HA . 27524 1 886 . 1 1 79 79 ALA HB1 H 1 1.339 0.02 . 1 . . . . . 79 ALA HB . 27524 1 887 . 1 1 79 79 ALA HB2 H 1 1.339 0.02 . 1 . . . . . 79 ALA HB . 27524 1 888 . 1 1 79 79 ALA HB3 H 1 1.339 0.02 . 1 . . . . . 79 ALA HB . 27524 1 889 . 1 1 79 79 ALA C C 13 175.729 0.3 . 1 . . . . . 79 ALA C . 27524 1 890 . 1 1 79 79 ALA CA C 13 54.377 0.3 . 1 . . . . . 79 ALA CA . 27524 1 891 . 1 1 79 79 ALA CB C 13 18.752 0.3 . 1 . . . . . 79 ALA CB . 27524 1 892 . 1 1 79 79 ALA N N 15 122.959 0.3 . 1 . . . . . 79 ALA N . 27524 1 893 . 1 1 80 80 VAL H H 1 7.195 0.02 . 1 . . . . . 80 VAL H . 27524 1 894 . 1 1 80 80 VAL HA H 1 4.341 0.02 . 1 . . . . . 80 VAL HA . 27524 1 895 . 1 1 80 80 VAL HB H 1 1.518 0.02 . 1 . . . . . 80 VAL HB . 27524 1 896 . 1 1 80 80 VAL HG11 H 1 0.747 0.02 . 1 . . . . . 80 VAL HG1 . 27524 1 897 . 1 1 80 80 VAL HG12 H 1 0.747 0.02 . 1 . . . . . 80 VAL HG1 . 27524 1 898 . 1 1 80 80 VAL HG13 H 1 0.747 0.02 . 1 . . . . . 80 VAL HG1 . 27524 1 899 . 1 1 80 80 VAL HG21 H 1 0.713 0.02 . 1 . . . . . 80 VAL HG2 . 27524 1 900 . 1 1 80 80 VAL HG22 H 1 0.713 0.02 . 1 . . . . . 80 VAL HG2 . 27524 1 901 . 1 1 80 80 VAL HG23 H 1 0.713 0.02 . 1 . . . . . 80 VAL HG2 . 27524 1 902 . 1 1 80 80 VAL C C 13 175.169 0.3 . 1 . . . . . 80 VAL C . 27524 1 903 . 1 1 80 80 VAL CA C 13 62.977 0.3 . 1 . . . . . 80 VAL CA . 27524 1 904 . 1 1 80 80 VAL CB C 13 36.328 0.3 . 1 . . . . . 80 VAL CB . 27524 1 905 . 1 1 80 80 VAL CG1 C 13 22.657 0.3 . 1 . . . . . 80 VAL CG1 . 27524 1 906 . 1 1 80 80 VAL CG2 C 13 21.467 0.3 . 1 . . . . . 80 VAL CG2 . 27524 1 907 . 1 1 80 80 VAL N N 15 126.13 0.3 . 1 . . . . . 80 VAL N . 27524 1 908 . 1 1 81 81 GLN H H 1 8.417 0.02 . 1 . . . . . 81 GLN H . 27524 1 909 . 1 1 81 81 GLN HA H 1 4.657 0.02 . 1 . . . . . 81 GLN HA . 27524 1 910 . 1 1 81 81 GLN HB2 H 1 2.314 0.02 . 1 . . . . . 81 GLN HB2 . 27524 1 911 . 1 1 81 81 GLN HB3 H 1 1.348 0.02 . 1 . . . . . 81 GLN HB3 . 27524 1 912 . 1 1 81 81 GLN HG2 H 1 2.354 0.02 . 1 . . . . . 81 GLN HG2 . 27524 1 913 . 1 1 81 81 GLN HG3 H 1 2.265 0.02 . 1 . . . . . 81 GLN HG3 . 27524 1 914 . 1 1 81 81 GLN HE21 H 1 7.6 0.02 . 1 . . . . . 81 GLN HE21 . 27524 1 915 . 1 1 81 81 GLN HE22 H 1 6.975 0.02 . 1 . . . . . 81 GLN HE22 . 27524 1 916 . 1 1 81 81 GLN C C 13 174.954 0.3 . 1 . . . . . 81 GLN C . 27524 1 917 . 1 1 81 81 GLN CA C 13 56.173 0.3 . 1 . . . . . 81 GLN CA . 27524 1 918 . 1 1 81 81 GLN CB C 13 34.249 0.3 . 1 . . . . . 81 GLN CB . 27524 1 919 . 1 1 81 81 GLN CG C 13 34.247 0.3 . 1 . . . . . 81 GLN CG . 27524 1 920 . 1 1 81 81 GLN N N 15 118.538 0.3 . 1 . . . . . 81 GLN N . 27524 1 921 . 1 1 81 81 GLN NE2 N 15 114.322 0.3 . 1 . . . . . 81 GLN NE2 . 27524 1 922 . 1 1 82 82 SER H H 1 8.28 0.02 . 1 . . . . . 82 SER H . 27524 1 923 . 1 1 82 82 SER HA H 1 4.436 0.02 . 1 . . . . . 82 SER HA . 27524 1 924 . 1 1 82 82 SER HB2 H 1 4.12 0.02 . 1 . . . . . 82 SER HB2 . 27524 1 925 . 1 1 82 82 SER HB3 H 1 4.065 0.02 . 1 . . . . . 82 SER HB3 . 27524 1 926 . 1 1 82 82 SER C C 13 172.415 0.3 . 1 . . . . . 82 SER C . 27524 1 927 . 1 1 82 82 SER CA C 13 59.764 0.3 . 1 . . . . . 82 SER CA . 27524 1 928 . 1 1 82 82 SER CB C 13 66.473 0.3 . 1 . . . . . 82 SER CB . 27524 1 929 . 1 1 82 82 SER N N 15 111.948 0.3 . 1 . . . . . 82 SER N . 27524 1 930 . 1 1 83 83 PHE H H 1 8.832 0.02 . 1 . . . . . 83 PHE H . 27524 1 931 . 1 1 83 83 PHE HA H 1 6.263 0.02 . 1 . . . . . 83 PHE HA . 27524 1 932 . 1 1 83 83 PHE HB2 H 1 3.636 0.02 . 1 . . . . . 83 PHE HB2 . 27524 1 933 . 1 1 83 83 PHE HB3 H 1 3.408 0.02 . 1 . . . . . 83 PHE HB3 . 27524 1 934 . 1 1 83 83 PHE HD1 H 1 6.576 0.02 . 1 . . . . . 83 PHE HD1 . 27524 1 935 . 1 1 83 83 PHE HE1 H 1 7.104 0.02 . 1 . . . . . 83 PHE HE1 . 27524 1 936 . 1 1 83 83 PHE HZ H 1 6.659 0.02 . 1 . . . . . 83 PHE HZ . 27524 1 937 . 1 1 83 83 PHE C C 13 173.577 0.3 . 1 . . . . . 83 PHE C . 27524 1 938 . 1 1 83 83 PHE CA C 13 57.496 0.3 . 1 . . . . . 83 PHE CA . 27524 1 939 . 1 1 83 83 PHE CB C 13 43.794 0.3 . 1 . . . . . 83 PHE CB . 27524 1 940 . 1 1 83 83 PHE N N 15 111.653 0.3 . 1 . . . . . 83 PHE N . 27524 1 941 . 1 1 84 84 ARG H H 1 9.311 0.02 . 1 . . . . . 84 ARG H . 27524 1 942 . 1 1 84 84 ARG HA H 1 5.142 0.02 . 1 . . . . . 84 ARG HA . 27524 1 943 . 1 1 84 84 ARG HB2 H 1 1.434 0.02 . 1 . . . . . 84 ARG HB2 . 27524 1 944 . 1 1 84 84 ARG HB3 H 1 1.419 0.02 . 1 . . . . . 84 ARG HB3 . 27524 1 945 . 1 1 84 84 ARG HG2 H 1 1.396 0.02 . 1 . . . . . 84 ARG HG2 . 27524 1 946 . 1 1 84 84 ARG HG3 H 1 1.372 0.02 . 1 . . . . . 84 ARG HG3 . 27524 1 947 . 1 1 84 84 ARG HD2 H 1 3.318 0.02 . 1 . . . . . 84 ARG HD2 . 27524 1 948 . 1 1 84 84 ARG HD3 H 1 2.975 0.02 . 1 . . . . . 84 ARG HD3 . 27524 1 949 . 1 1 84 84 ARG HE H 1 6.679 0.02 . 1 . . . . . 84 ARG HE . 27524 1 950 . 1 1 84 84 ARG C C 13 173.319 0.3 . 1 . . . . . 84 ARG C . 27524 1 951 . 1 1 84 84 ARG CA C 13 55.133 0.3 . 1 . . . . . 84 ARG CA . 27524 1 952 . 1 1 84 84 ARG CB C 13 34.438 0.3 . 1 . . . . . 84 ARG CB . 27524 1 953 . 1 1 84 84 ARG CG C 13 21.965 0.3 . 1 . . . . . 84 ARG CG . 27524 1 954 . 1 1 84 84 ARG N N 15 115.474 0.3 . 1 . . . . . 84 ARG N . 27524 1 955 . 1 1 85 85 ARG H H 1 8.343 0.02 . 1 . . . . . 85 ARG H . 27524 1 956 . 1 1 85 85 ARG HA H 1 3.469 0.02 . 1 . . . . . 85 ARG HA . 27524 1 957 . 1 1 85 85 ARG HB2 H 1 1.511 0.02 . 1 . . . . . 85 ARG HB2 . 27524 1 958 . 1 1 85 85 ARG HB3 H 1 1.382 0.02 . 1 . . . . . 85 ARG HB3 . 27524 1 959 . 1 1 85 85 ARG HG2 H 1 1.277 0.02 . 1 . . . . . 85 ARG HG2 . 27524 1 960 . 1 1 85 85 ARG HG3 H 1 1.231 0.02 . 1 . . . . . 85 ARG HG3 . 27524 1 961 . 1 1 85 85 ARG HE H 1 6.767 0.02 . 1 . . . . . 85 ARG HE . 27524 1 962 . 1 1 85 85 ARG C C 13 174.718 0.3 . 1 . . . . . 85 ARG C . 27524 1 963 . 1 1 85 85 ARG CA C 13 54.661 0.3 . 1 . . . . . 85 ARG CA . 27524 1 964 . 1 1 85 85 ARG CB C 13 34.06 0.3 . 1 . . . . . 85 ARG CB . 27524 1 965 . 1 1 85 85 ARG CG C 13 24.4 0.3 . 1 . . . . . 85 ARG CG . 27524 1 966 . 1 1 85 85 ARG CD C 13 41.546 0.3 . 1 . . . . . 85 ARG CD . 27524 1 967 . 1 1 85 85 ARG N N 15 121.79 0.3 . 1 . . . . . 85 ARG N . 27524 1 968 . 1 1 86 86 ILE H H 1 8.052 0.02 . 1 . . . . . 86 ILE H . 27524 1 969 . 1 1 86 86 ILE HA H 1 4.587 0.02 . 1 . . . . . 86 ILE HA . 27524 1 970 . 1 1 86 86 ILE HB H 1 1.187 0.02 . 1 . . . . . 86 ILE HB . 27524 1 971 . 1 1 86 86 ILE HG12 H 1 1.346 0.02 . 1 . . . . . 86 ILE HG12 . 27524 1 972 . 1 1 86 86 ILE HG13 H 1 1.283 0.02 . 1 . . . . . 86 ILE HG13 . 27524 1 973 . 1 1 86 86 ILE HG21 H 1 0.928 0.02 . 1 . . . . . 86 ILE HG2 . 27524 1 974 . 1 1 86 86 ILE HG22 H 1 0.928 0.02 . 1 . . . . . 86 ILE HG2 . 27524 1 975 . 1 1 86 86 ILE HG23 H 1 0.928 0.02 . 1 . . . . . 86 ILE HG2 . 27524 1 976 . 1 1 86 86 ILE HD11 H 1 0.748 0.02 . 1 . . . . . 86 ILE HD1 . 27524 1 977 . 1 1 86 86 ILE HD12 H 1 0.748 0.02 . 1 . . . . . 86 ILE HD1 . 27524 1 978 . 1 1 86 86 ILE HD13 H 1 0.748 0.02 . 1 . . . . . 86 ILE HD1 . 27524 1 979 . 1 1 86 86 ILE C C 13 176.826 0.3 . 1 . . . . . 86 ILE C . 27524 1 980 . 1 1 86 86 ILE CA C 13 61.276 0.3 . 1 . . . . . 86 ILE CA . 27524 1 981 . 1 1 86 86 ILE CB C 13 36.612 0.3 . 1 . . . . . 86 ILE CB . 27524 1 982 . 1 1 86 86 ILE CG1 C 13 27.686 0.3 . 1 . . . . . 86 ILE CG1 . 27524 1 983 . 1 1 86 86 ILE N N 15 121.957 0.3 . 1 . . . . . 86 ILE N . 27524 1 984 . 1 1 87 87 VAL H H 1 7.864 0.02 . 1 . . . . . 87 VAL H . 27524 1 985 . 1 1 87 87 VAL HA H 1 4.194 0.02 . 1 . . . . . 87 VAL HA . 27524 1 986 . 1 1 87 87 VAL HB H 1 2.381 0.02 . 1 . . . . . 87 VAL HB . 27524 1 987 . 1 1 87 87 VAL HG11 H 1 0.661 0.02 . 1 . . . . . 87 VAL HG1 . 27524 1 988 . 1 1 87 87 VAL HG12 H 1 0.661 0.02 . 1 . . . . . 87 VAL HG1 . 27524 1 989 . 1 1 87 87 VAL HG13 H 1 0.661 0.02 . 1 . . . . . 87 VAL HG1 . 27524 1 990 . 1 1 87 87 VAL HG21 H 1 0.587 0.02 . 1 . . . . . 87 VAL HG2 . 27524 1 991 . 1 1 87 87 VAL HG22 H 1 0.587 0.02 . 1 . . . . . 87 VAL HG2 . 27524 1 992 . 1 1 87 87 VAL HG23 H 1 0.587 0.02 . 1 . . . . . 87 VAL HG2 . 27524 1 993 . 1 1 87 87 VAL C C 13 179.194 0.3 . 1 . . . . . 87 VAL C . 27524 1 994 . 1 1 87 87 VAL CA C 13 58.252 0.3 . 1 . . . . . 87 VAL CA . 27524 1 995 . 1 1 87 87 VAL CB C 13 31.32 0.3 . 1 . . . . . 87 VAL CB . 27524 1 996 . 1 1 87 87 VAL CG1 C 13 24.501 0.3 . 1 . . . . . 87 VAL CG1 . 27524 1 997 . 1 1 87 87 VAL CG2 C 13 22.624 0.3 . 1 . . . . . 87 VAL CG2 . 27524 1 998 . 1 1 87 87 VAL N N 15 125.585 0.3 . 1 . . . . . 87 VAL N . 27524 1 999 . 1 1 88 88 GLU H H 1 8.466 0.02 . 1 . . . . . 88 GLU H . 27524 1 1000 . 1 1 88 88 GLU HA H 1 4.168 0.02 . 1 . . . . . 88 GLU HA . 27524 1 1001 . 1 1 88 88 GLU HB2 H 1 1.682 0.02 . 1 . . . . . 88 GLU HB2 . 27524 1 1002 . 1 1 88 88 GLU HB3 H 1 1.514 0.02 . 1 . . . . . 88 GLU HB3 . 27524 1 1003 . 1 1 88 88 GLU HG2 H 1 2.101 0.02 . 1 . . . . . 88 GLU HG2 . 27524 1 1004 . 1 1 88 88 GLU HG3 H 1 1.872 0.02 . 1 . . . . . 88 GLU HG3 . 27524 1 1005 . 1 1 88 88 GLU CA C 13 57.401 0.3 . 1 . . . . . 88 GLU CA . 27524 1 1006 . 1 1 88 88 GLU CB C 13 32.502 0.3 . 1 . . . . . 88 GLU CB . 27524 1 1007 . 1 1 88 88 GLU N N 15 128.142 0.3 . 1 . . . . . 88 GLU N . 27524 1 stop_ save_