data_26312 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26312 _Entry.Title ; Ufm1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-15 _Entry.Accession_date 2021-08-18 _Entry.Last_release_date 2021-08-18 _Entry.Original_release_date 2021-08-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 'NMR assignment of Ufm1, a ubiquitin-fold modifier 1' _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 Hiroaki Sasakawa . . . . 26312 2 Koichi Kato . . . . 26312 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26312 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 235 26312 '15N chemical shifts' 81 26312 '1H chemical shifts' 463 26312 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-08-20 . original BMRB . 26312 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WXS 'Solution Structure of Ufm1, a ubiquitin-fold modifier 1' 26312 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26312 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 16527251 _Citation.DOI 10.1016/j.bbrc.2006.02.107 _Citation.Full_citation . _Citation.Title ; Solution structure and dynamics of Ufm1, a ubiquitin-fold modifier 1. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 343 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-291X _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 21 _Citation.Page_last 26 _Citation.Year 2006 _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 Hiroaki Sasakawa H. . . . 26312 1 2 Eri Sakata E. . . . 26312 1 3 Yoshiki Yamaguchi Y. . . . 26312 1 4 Masaaki Komatsu M. . . . 26312 1 5 Kanako Tatsumi K. . . . 26312 1 6 Eiki Kominami E. . . . 26312 1 7 Keiji Tanaka K. . . . 26312 1 8 Koichi Kato K. . . . 26312 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26312 _Assembly.ID 1 _Assembly.Name Ufm1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Ufm1 1 $entity_1 . . yes native no no . . . 26312 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26312 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ufm1 _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 ; GPLGSMSKVSFKITLTSDPR LPYKVLSVPESTPFTAVLKF AAEEFKVPAATSAIITNDGI GINPAQTAGNVFLKHGSELR IIPRDRVGSC ; _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 90 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 1WXS . 'Ufm1, a ubiquitin-fold modifier' . . . . . . . . . . . . . . 26312 1 2 yes UNP P61960 . UFM1_HUMAN . . . . . . . . . . . . . . 26312 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 26312 1 2 2 PRO . 26312 1 3 3 LEU . 26312 1 4 4 GLY . 26312 1 5 5 SER . 26312 1 6 6 MET . 26312 1 7 7 SER . 26312 1 8 8 LYS . 26312 1 9 9 VAL . 26312 1 10 10 SER . 26312 1 11 11 PHE . 26312 1 12 12 LYS . 26312 1 13 13 ILE . 26312 1 14 14 THR . 26312 1 15 15 LEU . 26312 1 16 16 THR . 26312 1 17 17 SER . 26312 1 18 18 ASP . 26312 1 19 19 PRO . 26312 1 20 20 ARG . 26312 1 21 21 LEU . 26312 1 22 22 PRO . 26312 1 23 23 TYR . 26312 1 24 24 LYS . 26312 1 25 25 VAL . 26312 1 26 26 LEU . 26312 1 27 27 SER . 26312 1 28 28 VAL . 26312 1 29 29 PRO . 26312 1 30 30 GLU . 26312 1 31 31 SER . 26312 1 32 32 THR . 26312 1 33 33 PRO . 26312 1 34 34 PHE . 26312 1 35 35 THR . 26312 1 36 36 ALA . 26312 1 37 37 VAL . 26312 1 38 38 LEU . 26312 1 39 39 LYS . 26312 1 40 40 PHE . 26312 1 41 41 ALA . 26312 1 42 42 ALA . 26312 1 43 43 GLU . 26312 1 44 44 GLU . 26312 1 45 45 PHE . 26312 1 46 46 LYS . 26312 1 47 47 VAL . 26312 1 48 48 PRO . 26312 1 49 49 ALA . 26312 1 50 50 ALA . 26312 1 51 51 THR . 26312 1 52 52 SER . 26312 1 53 53 ALA . 26312 1 54 54 ILE . 26312 1 55 55 ILE . 26312 1 56 56 THR . 26312 1 57 57 ASN . 26312 1 58 58 ASP . 26312 1 59 59 GLY . 26312 1 60 60 ILE . 26312 1 61 61 GLY . 26312 1 62 62 ILE . 26312 1 63 63 ASN . 26312 1 64 64 PRO . 26312 1 65 65 ALA . 26312 1 66 66 GLN . 26312 1 67 67 THR . 26312 1 68 68 ALA . 26312 1 69 69 GLY . 26312 1 70 70 ASN . 26312 1 71 71 VAL . 26312 1 72 72 PHE . 26312 1 73 73 LEU . 26312 1 74 74 LYS . 26312 1 75 75 HIS . 26312 1 76 76 GLY . 26312 1 77 77 SER . 26312 1 78 78 GLU . 26312 1 79 79 LEU . 26312 1 80 80 ARG . 26312 1 81 81 ILE . 26312 1 82 82 ILE . 26312 1 83 83 PRO . 26312 1 84 84 ARG . 26312 1 85 85 ASP . 26312 1 86 86 ARG . 26312 1 87 87 VAL . 26312 1 88 88 GLY . 26312 1 89 89 SER . 26312 1 90 90 CYS . 26312 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 26312 1 . PRO 2 2 26312 1 . LEU 3 3 26312 1 . GLY 4 4 26312 1 . SER 5 5 26312 1 . MET 6 6 26312 1 . SER 7 7 26312 1 . LYS 8 8 26312 1 . VAL 9 9 26312 1 . SER 10 10 26312 1 . PHE 11 11 26312 1 . LYS 12 12 26312 1 . ILE 13 13 26312 1 . THR 14 14 26312 1 . LEU 15 15 26312 1 . THR 16 16 26312 1 . SER 17 17 26312 1 . ASP 18 18 26312 1 . PRO 19 19 26312 1 . ARG 20 20 26312 1 . LEU 21 21 26312 1 . PRO 22 22 26312 1 . TYR 23 23 26312 1 . LYS 24 24 26312 1 . VAL 25 25 26312 1 . LEU 26 26 26312 1 . SER 27 27 26312 1 . VAL 28 28 26312 1 . PRO 29 29 26312 1 . GLU 30 30 26312 1 . SER 31 31 26312 1 . THR 32 32 26312 1 . PRO 33 33 26312 1 . PHE 34 34 26312 1 . THR 35 35 26312 1 . ALA 36 36 26312 1 . VAL 37 37 26312 1 . LEU 38 38 26312 1 . LYS 39 39 26312 1 . PHE 40 40 26312 1 . ALA 41 41 26312 1 . ALA 42 42 26312 1 . GLU 43 43 26312 1 . GLU 44 44 26312 1 . PHE 45 45 26312 1 . LYS 46 46 26312 1 . VAL 47 47 26312 1 . PRO 48 48 26312 1 . ALA 49 49 26312 1 . ALA 50 50 26312 1 . THR 51 51 26312 1 . SER 52 52 26312 1 . ALA 53 53 26312 1 . ILE 54 54 26312 1 . ILE 55 55 26312 1 . THR 56 56 26312 1 . ASN 57 57 26312 1 . ASP 58 58 26312 1 . GLY 59 59 26312 1 . ILE 60 60 26312 1 . GLY 61 61 26312 1 . ILE 62 62 26312 1 . ASN 63 63 26312 1 . PRO 64 64 26312 1 . ALA 65 65 26312 1 . GLN 66 66 26312 1 . THR 67 67 26312 1 . ALA 68 68 26312 1 . GLY 69 69 26312 1 . ASN 70 70 26312 1 . VAL 71 71 26312 1 . PHE 72 72 26312 1 . LEU 73 73 26312 1 . LYS 74 74 26312 1 . HIS 75 75 26312 1 . GLY 76 76 26312 1 . SER 77 77 26312 1 . GLU 78 78 26312 1 . LEU 79 79 26312 1 . ARG 80 80 26312 1 . ILE 81 81 26312 1 . ILE 82 82 26312 1 . PRO 83 83 26312 1 . ARG 84 84 26312 1 . ASP 85 85 26312 1 . ARG 86 86 26312 1 . VAL 87 87 26312 1 . GLY 88 88 26312 1 . SER 89 89 26312 1 . CYS 90 90 26312 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 26312 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26312 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 26312 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 511693 Escherichia coli BL21 . . plasmid . . pGEX6P-1 . . . 26312 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26312 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Ufm1, a ubiquitin-fold modifier' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ufm1 '[U-13C; U-15N]' 1 $assembly_1 1 $entity_1 . protein 0.2 . . mM . . . . 26312 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 26312 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 26312 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26312 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 26312 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 26312 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '10 mM sodium phosphate buffer, and 100 mM NaCl' 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' 100 . mM 26312 1 pH 6.0 . pH 26312 1 temperature 303 . K 26312 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26312 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26312 1 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 26312 _Software.ID 2 _Software.Type . _Software.Name xwinnmr _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26312 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 26312 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name JNM-ECA920 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model ECA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 920 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 26312 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Avance 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 26312 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name DMX-500 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 26312 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26312 1 2 '3D HNCA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26312 1 3 '3D HN(CO)CA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26312 1 4 '3D HNCO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26312 1 5 '3D HN(CA)CO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26312 1 6 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26312 1 7 '3D CBCA(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26312 1 8 '3D HCCH-COSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26312 1 9 '3D HCCH-TOCSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26312 1 10 '15N-edited TOCSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26312 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 26312 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 26312 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26312 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26312 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 26312 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 26312 1 2 '3D HNCA' 1 $sample_1 isotropic 26312 1 4 '3D HNCO' 1 $sample_1 isotropic 26312 1 6 '3D HNCACB' 1 $sample_1 isotropic 26312 1 9 '3D HCCH-TOCSY' 1 $sample_1 isotropic 26312 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 26312 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO HA H 1 4.431 0 . 1 . . . . . 2 PRO HA . 26312 1 2 . 1 . 1 2 2 PRO HB2 H 1 1.918 0 . 2 . . . . . 2 PRO HB2 . 26312 1 3 . 1 . 1 2 2 PRO HB3 H 1 2.295 0 . 2 . . . . . 2 PRO HB3 . 26312 1 4 . 1 . 1 2 2 PRO C C 13 177.116 0 . 1 . . . . . 2 PRO C . 26312 1 5 . 1 . 1 2 2 PRO CA C 13 63.186 0.081 . 1 . . . . . 2 PRO CA . 26312 1 6 . 1 . 1 2 2 PRO CB C 13 32.25 0.027 . 1 . . . . . 2 PRO CB . 26312 1 7 . 1 . 1 3 3 LEU H H 1 8.478 0.004 . 1 . . . . . 3 LEU H . 26312 1 8 . 1 . 1 3 3 LEU HA H 1 4.314 0.017 . 1 . . . . . 3 LEU HA . 26312 1 9 . 1 . 1 3 3 LEU HB3 H 1 1.621 0 . 2 . . . . . 3 LEU HB3 . 26312 1 10 . 1 . 1 3 3 LEU C C 13 178.049 0 . 1 . . . . . 3 LEU C . 26312 1 11 . 1 . 1 3 3 LEU CA C 13 55.418 0.082 . 1 . . . . . 3 LEU CA . 26312 1 12 . 1 . 1 3 3 LEU CB C 13 42.21 0.014 . 1 . . . . . 3 LEU CB . 26312 1 13 . 1 . 1 3 3 LEU N N 15 122.956 0.057 . 1 . . . . . 3 LEU N . 26312 1 14 . 1 . 1 4 4 GLY H H 1 8.358 0.003 . 1 . . . . . 4 GLY H . 26312 1 15 . 1 . 1 4 4 GLY HA2 H 1 3.948 0.016 . 1 . . . . . 4 GLY HA . 26312 1 16 . 1 . 1 4 4 GLY HA3 H 1 3.948 0.016 . 1 . . . . . 4 GLY HA . 26312 1 17 . 1 . 1 4 4 GLY C C 13 174.393 0 . 1 . . . . . 4 GLY C . 26312 1 18 . 1 . 1 4 4 GLY CA C 13 45.321 0.019 . 1 . . . . . 4 GLY CA . 26312 1 19 . 1 . 1 4 4 GLY N N 15 110.452 0.02 . 1 . . . . . 4 GLY N . 26312 1 20 . 1 . 1 5 5 SER H H 1 8.189 0.005 . 1 . . . . . 5 SER H . 26312 1 21 . 1 . 1 5 5 SER HA H 1 4.396 0.005 . 1 . . . . . 5 SER HA . 26312 1 22 . 1 . 1 5 5 SER HB2 H 1 3.827 0.022 . 2 . . . . . 5 SER HB . 26312 1 23 . 1 . 1 5 5 SER HB3 H 1 3.827 0.022 . 2 . . . . . 5 SER HB . 26312 1 24 . 1 . 1 5 5 SER C C 13 174.631 0 . 1 . . . . . 5 SER C . 26312 1 25 . 1 . 1 5 5 SER CA C 13 58.465 0.079 . 1 . . . . . 5 SER CA . 26312 1 26 . 1 . 1 5 5 SER CB C 13 63.927 0.081 . 1 . . . . . 5 SER CB . 26312 1 27 . 1 . 1 5 5 SER N N 15 116.431 0.03 . 1 . . . . . 5 SER N . 26312 1 28 . 1 . 1 6 6 MET H H 1 8.376 0.003 . 1 . . . . . 6 MET H . 26312 1 29 . 1 . 1 6 6 MET HA H 1 4.499 0.021 . 1 . . . . . 6 MET HA . 26312 1 30 . 1 . 1 6 6 MET HB2 H 1 2.032 0 . 2 . . . . . 6 MET HB2 . 26312 1 31 . 1 . 1 6 6 MET C C 13 175.989 0 . 1 . . . . . 6 MET C . 26312 1 32 . 1 . 1 6 6 MET CA C 13 55.304 0.058 . 1 . . . . . 6 MET CA . 26312 1 33 . 1 . 1 6 6 MET CB C 13 32.389 0.095 . 1 . . . . . 6 MET CB . 26312 1 34 . 1 . 1 6 6 MET N N 15 122.626 0.029 . 1 . . . . . 6 MET N . 26312 1 35 . 1 . 1 7 7 SER H H 1 8.326 0.006 . 1 . . . . . 7 SER H . 26312 1 36 . 1 . 1 7 7 SER HA H 1 4.365 0.023 . 1 . . . . . 7 SER HA . 26312 1 37 . 1 . 1 7 7 SER HB2 H 1 3.791 0.006 . 2 . . . . . 7 SER HB . 26312 1 38 . 1 . 1 7 7 SER HB3 H 1 3.791 0.006 . 2 . . . . . 7 SER HB . 26312 1 39 . 1 . 1 7 7 SER C C 13 174.028 0 . 1 . . . . . 7 SER C . 26312 1 40 . 1 . 1 7 7 SER CA C 13 58.789 0.057 . 1 . . . . . 7 SER CA . 26312 1 41 . 1 . 1 7 7 SER CB C 13 63.504 0.059 . 1 . . . . . 7 SER CB . 26312 1 42 . 1 . 1 7 7 SER N N 15 118.51 0.066 . 1 . . . . . 7 SER N . 26312 1 43 . 1 . 1 8 8 LYS H H 1 8.201 0.009 . 1 . . . . . 8 LYS H . 26312 1 44 . 1 . 1 8 8 LYS HA H 1 4.66 0.012 . 1 . . . . . 8 LYS HA . 26312 1 45 . 1 . 1 8 8 LYS HB2 H 1 1.393 0.013 . 2 . . . . . 8 LYS HB2 . 26312 1 46 . 1 . 1 8 8 LYS C C 13 175.824 0 . 1 . . . . . 8 LYS C . 26312 1 47 . 1 . 1 8 8 LYS CA C 13 55.27 0.057 . 1 . . . . . 8 LYS CA . 26312 1 48 . 1 . 1 8 8 LYS CB C 13 35.062 0.03 . 1 . . . . . 8 LYS CB . 26312 1 49 . 1 . 1 8 8 LYS N N 15 123.058 0.079 . 1 . . . . . 8 LYS N . 26312 1 50 . 1 . 1 9 9 VAL H H 1 8.596 0.007 . 1 . . . . . 9 VAL H . 26312 1 51 . 1 . 1 9 9 VAL HA H 1 3.908 0.021 . 1 . . . . . 9 VAL HA . 26312 1 52 . 1 . 1 9 9 VAL HB H 1 1.049 0.003 . 1 . . . . . 9 VAL HB . 26312 1 53 . 1 . 1 9 9 VAL HG11 H 1 0.456 0.011 . 2 . . . . . 9 VAL HG1 . 26312 1 54 . 1 . 1 9 9 VAL HG12 H 1 0.456 0.011 . 2 . . . . . 9 VAL HG1 . 26312 1 55 . 1 . 1 9 9 VAL HG13 H 1 0.456 0.011 . 2 . . . . . 9 VAL HG1 . 26312 1 56 . 1 . 1 9 9 VAL HG21 H 1 0.267 0 . 2 . . . . . 9 VAL HG2 . 26312 1 57 . 1 . 1 9 9 VAL HG22 H 1 0.267 0 . 2 . . . . . 9 VAL HG2 . 26312 1 58 . 1 . 1 9 9 VAL HG23 H 1 0.267 0 . 2 . . . . . 9 VAL HG2 . 26312 1 59 . 1 . 1 9 9 VAL C C 13 173.889 0 . 1 . . . . . 9 VAL C . 26312 1 60 . 1 . 1 9 9 VAL CA C 13 59.22 0.054 . 1 . . . . . 9 VAL CA . 26312 1 61 . 1 . 1 9 9 VAL CB C 13 33.63 0.032 . 1 . . . . . 9 VAL CB . 26312 1 62 . 1 . 1 9 9 VAL N N 15 116.869 0.041 . 1 . . . . . 9 VAL N . 26312 1 63 . 1 . 1 10 10 SER H H 1 7.275 0.004 . 1 . . . . . 10 SER H . 26312 1 64 . 1 . 1 10 10 SER HA H 1 5.32 0.045 . 1 . . . . . 10 SER HA . 26312 1 65 . 1 . 1 10 10 SER HB2 H 1 3.402 0.009 . 2 . . . . . 10 SER HB . 26312 1 66 . 1 . 1 10 10 SER HB3 H 1 3.402 0.009 . 2 . . . . . 10 SER HB . 26312 1 67 . 1 . 1 10 10 SER C C 13 172.75 0 . 1 . . . . . 10 SER C . 26312 1 68 . 1 . 1 10 10 SER CA C 13 56.525 0.106 . 1 . . . . . 10 SER CA . 26312 1 69 . 1 . 1 10 10 SER CB C 13 64.931 0.01 . 1 . . . . . 10 SER CB . 26312 1 70 . 1 . 1 10 10 SER N N 15 116.611 0.04 . 1 . . . . . 10 SER N . 26312 1 71 . 1 . 1 11 11 PHE H H 1 8.879 0.008 . 1 . . . . . 11 PHE H . 26312 1 72 . 1 . 1 11 11 PHE HA H 1 5.388 0.015 . 1 . . . . . 11 PHE HA . 26312 1 73 . 1 . 1 11 11 PHE HB2 H 1 3.086 0.013 . 2 . . . . . 11 PHE HB2 . 26312 1 74 . 1 . 1 11 11 PHE HB3 H 1 2.62 0.019 . 2 . . . . . 11 PHE HB3 . 26312 1 75 . 1 . 1 11 11 PHE HD1 H 1 7.338 0.015 . 1 . . . . . 11 PHE HD . 26312 1 76 . 1 . 1 11 11 PHE HD2 H 1 7.338 0.015 . 1 . . . . . 11 PHE HD . 26312 1 77 . 1 . 1 11 11 PHE C C 13 174.411 0 . 1 . . . . . 11 PHE C . 26312 1 78 . 1 . 1 11 11 PHE CA C 13 56.37 0.057 . 1 . . . . . 11 PHE CA . 26312 1 79 . 1 . 1 11 11 PHE CB C 13 43.227 0.069 . 1 . . . . . 11 PHE CB . 26312 1 80 . 1 . 1 11 11 PHE N N 15 121.076 0.097 . 1 . . . . . 11 PHE N . 26312 1 81 . 1 . 1 12 12 LYS H H 1 9.191 0.019 . 1 . . . . . 12 LYS H . 26312 1 82 . 1 . 1 12 12 LYS HA H 1 4.907 0.005 . 1 . . . . . 12 LYS HA . 26312 1 83 . 1 . 1 12 12 LYS HB2 H 1 1.641 0.007 . 2 . . . . . 12 LYS HB . 26312 1 84 . 1 . 1 12 12 LYS HB3 H 1 1.641 0.007 . 2 . . . . . 12 LYS HB . 26312 1 85 . 1 . 1 12 12 LYS HD2 H 1 1.287 0 . 2 . . . . . 12 LYS HD . 26312 1 86 . 1 . 1 12 12 LYS HD3 H 1 1.287 0 . 2 . . . . . 12 LYS HD . 26312 1 87 . 1 . 1 12 12 LYS HG2 H 1 1.034 0.022 . 2 . . . . . 12 LYS HG . 26312 1 88 . 1 . 1 12 12 LYS HG3 H 1 1.034 0.022 . 2 . . . . . 12 LYS HG . 26312 1 89 . 1 . 1 12 12 LYS C C 13 175.055 0 . 1 . . . . . 12 LYS C . 26312 1 90 . 1 . 1 12 12 LYS CA C 13 55.686 0.123 . 1 . . . . . 12 LYS CA . 26312 1 91 . 1 . 1 12 12 LYS CB C 13 34.071 0.027 . 1 . . . . . 12 LYS CB . 26312 1 92 . 1 . 1 12 12 LYS N N 15 124.999 0.055 . 1 . . . . . 12 LYS N . 26312 1 93 . 1 . 1 13 13 ILE H H 1 9.335 0.009 . 1 . . . . . 13 ILE H . 26312 1 94 . 1 . 1 13 13 ILE HA H 1 4.905 0.001 . 1 . . . . . 13 ILE HA . 26312 1 95 . 1 . 1 13 13 ILE HB H 1 1.92 0.004 . 1 . . . . . 13 ILE HB . 26312 1 96 . 1 . 1 13 13 ILE HD11 H 1 0.769 0 . 1 . . . . . 13 ILE HD1 . 26312 1 97 . 1 . 1 13 13 ILE HD12 H 1 0.769 0 . 1 . . . . . 13 ILE HD1 . 26312 1 98 . 1 . 1 13 13 ILE HD13 H 1 0.769 0 . 1 . . . . . 13 ILE HD1 . 26312 1 99 . 1 . 1 13 13 ILE HG12 H 1 1.663 0 . 2 . . . . . 13 ILE HG1 . 26312 1 100 . 1 . 1 13 13 ILE HG13 H 1 1.663 0 . 2 . . . . . 13 ILE HG1 . 26312 1 101 . 1 . 1 13 13 ILE HG21 H 1 0.781 0.007 . 1 . . . . . 13 ILE HG2 . 26312 1 102 . 1 . 1 13 13 ILE HG22 H 1 0.781 0.007 . 1 . . . . . 13 ILE HG2 . 26312 1 103 . 1 . 1 13 13 ILE HG23 H 1 0.781 0.007 . 1 . . . . . 13 ILE HG2 . 26312 1 104 . 1 . 1 13 13 ILE CA C 13 60.104 0.103 . 1 . . . . . 13 ILE CA . 26312 1 105 . 1 . 1 13 13 ILE CB C 13 39.576 0.03 . 1 . . . . . 13 ILE CB . 26312 1 106 . 1 . 1 13 13 ILE N N 15 127.634 0.078 . 1 . . . . . 13 ILE N . 26312 1 107 . 1 . 1 14 14 THR H H 1 8.426 0.009 . 1 . . . . . 14 THR H . 26312 1 108 . 1 . 1 14 14 THR HA H 1 4.826 0 . 1 . . . . . 14 THR HA . 26312 1 109 . 1 . 1 14 14 THR HB H 1 3.893 0 . 1 . . . . . 14 THR HB . 26312 1 110 . 1 . 1 14 14 THR HG21 H 1 1.023 0.009 . 1 . . . . . 14 THR HG2 . 26312 1 111 . 1 . 1 14 14 THR HG22 H 1 1.023 0.009 . 1 . . . . . 14 THR HG2 . 26312 1 112 . 1 . 1 14 14 THR HG23 H 1 1.023 0.009 . 1 . . . . . 14 THR HG2 . 26312 1 113 . 1 . 1 14 14 THR C C 13 173.505 0 . 1 . . . . . 14 THR C . 26312 1 114 . 1 . 1 14 14 THR CA C 13 62.071 0 . 1 . . . . . 14 THR CA . 26312 1 115 . 1 . 1 14 14 THR CB C 13 70.872 0 . 1 . . . . . 14 THR CB . 26312 1 116 . 1 . 1 14 14 THR N N 15 123.635 0.062 . 1 . . . . . 14 THR N . 26312 1 117 . 1 . 1 15 15 LEU H H 1 8.265 0.007 . 1 . . . . . 15 LEU H . 26312 1 118 . 1 . 1 15 15 LEU HA H 1 4.397 0.016 . 1 . . . . . 15 LEU HA . 26312 1 119 . 1 . 1 15 15 LEU HB2 H 1 1.537 0 . 2 . . . . . 15 LEU HB . 26312 1 120 . 1 . 1 15 15 LEU HB3 H 1 1.537 0 . 2 . . . . . 15 LEU HB . 26312 1 121 . 1 . 1 15 15 LEU HD11 H 1 0.694 0 . 2 . . . . . 15 LEU HD . 26312 1 122 . 1 . 1 15 15 LEU HD12 H 1 0.694 0 . 2 . . . . . 15 LEU HD . 26312 1 123 . 1 . 1 15 15 LEU HD13 H 1 0.694 0 . 2 . . . . . 15 LEU HD . 26312 1 124 . 1 . 1 15 15 LEU HD21 H 1 0.694 0 . 2 . . . . . 15 LEU HD . 26312 1 125 . 1 . 1 15 15 LEU HD22 H 1 0.694 0 . 2 . . . . . 15 LEU HD . 26312 1 126 . 1 . 1 15 15 LEU HD23 H 1 0.694 0 . 2 . . . . . 15 LEU HD . 26312 1 127 . 1 . 1 15 15 LEU HG H 1 1.186 0 . 1 . . . . . 15 LEU HG . 26312 1 128 . 1 . 1 15 15 LEU CA C 13 53.903 0 . 1 . . . . . 15 LEU CA . 26312 1 129 . 1 . 1 15 15 LEU CB C 13 41.486 0 . 1 . . . . . 15 LEU CB . 26312 1 130 . 1 . 1 15 15 LEU N N 15 129.794 0.049 . 1 . . . . . 15 LEU N . 26312 1 131 . 1 . 1 16 16 THR HA H 1 4.108 0 . 1 . . . . . 16 THR HA . 26312 1 132 . 1 . 1 16 16 THR HB H 1 4.225 0.001 . 1 . . . . . 16 THR HB . 26312 1 133 . 1 . 1 16 16 THR HG21 H 1 1.203 0 . 1 . . . . . 16 THR HG2 . 26312 1 134 . 1 . 1 16 16 THR HG22 H 1 1.203 0 . 1 . . . . . 16 THR HG2 . 26312 1 135 . 1 . 1 16 16 THR HG23 H 1 1.203 0 . 1 . . . . . 16 THR HG2 . 26312 1 136 . 1 . 1 16 16 THR C C 13 175.105 0 . 1 . . . . . 16 THR C . 26312 1 137 . 1 . 1 16 16 THR CA C 13 64.124 0.089 . 1 . . . . . 16 THR CA . 26312 1 138 . 1 . 1 16 16 THR CB C 13 68.582 0 . 1 . . . . . 16 THR CB . 26312 1 139 . 1 . 1 17 17 SER H H 1 7.467 0.009 . 1 . . . . . 17 SER H . 26312 1 140 . 1 . 1 17 17 SER HA H 1 4.2 0.018 . 1 . . . . . 17 SER HA . 26312 1 141 . 1 . 1 17 17 SER HB2 H 1 4.011 0.006 . 2 . . . . . 17 SER HB2 . 26312 1 142 . 1 . 1 17 17 SER HB3 H 1 3.631 0.006 . 2 . . . . . 17 SER HB3 . 26312 1 143 . 1 . 1 17 17 SER C C 13 173.251 0 . 1 . . . . . 17 SER C . 26312 1 144 . 1 . 1 17 17 SER CA C 13 58.675 0.054 . 1 . . . . . 17 SER CA . 26312 1 145 . 1 . 1 17 17 SER CB C 13 62.695 0.042 . 1 . . . . . 17 SER CB . 26312 1 146 . 1 . 1 17 17 SER N N 15 112.834 0.049 . 1 . . . . . 17 SER N . 26312 1 147 . 1 . 1 18 18 ASP H H 1 6.859 0.005 . 1 . . . . . 18 ASP H . 26312 1 148 . 1 . 1 18 18 ASP HA H 1 5.077 0.011 . 1 . . . . . 18 ASP HA . 26312 1 149 . 1 . 1 18 18 ASP HB2 H 1 2.707 0.021 . 2 . . . . . 18 ASP HB2 . 26312 1 150 . 1 . 1 18 18 ASP HB3 H 1 2.38 0.017 . 2 . . . . . 18 ASP HB3 . 26312 1 151 . 1 . 1 18 18 ASP CA C 13 50.238 0.077 . 1 . . . . . 18 ASP CA . 26312 1 152 . 1 . 1 18 18 ASP N N 15 123.185 0.111 . 1 . . . . . 18 ASP N . 26312 1 153 . 1 . 1 19 19 PRO HA H 1 4.425 0.008 . 1 . . . . . 19 PRO HA . 26312 1 154 . 1 . 1 19 19 PRO HB2 H 1 2.328 0 . 2 . . . . . 19 PRO HB2 . 26312 1 155 . 1 . 1 19 19 PRO HB3 H 1 2.007 0 . 2 . . . . . 19 PRO HB3 . 26312 1 156 . 1 . 1 19 19 PRO C C 13 177.709 0 . 1 . . . . . 19 PRO C . 26312 1 157 . 1 . 1 19 19 PRO CA C 13 64.143 0.075 . 1 . . . . . 19 PRO CA . 26312 1 158 . 1 . 1 19 19 PRO CB C 13 32.099 0 . 1 . . . . . 19 PRO CB . 26312 1 159 . 1 . 1 20 20 ARG H H 1 8.626 0.007 . 1 . . . . . 20 ARG H . 26312 1 160 . 1 . 1 20 20 ARG HA H 1 4.141 0 . 1 . . . . . 20 ARG HA . 26312 1 161 . 1 . 1 20 20 ARG HG2 H 1 1.675 0 . 2 . . . . . 20 ARG HG . 26312 1 162 . 1 . 1 20 20 ARG HG3 H 1 1.675 0 . 2 . . . . . 20 ARG HG . 26312 1 163 . 1 . 1 20 20 ARG CA C 13 57.003 0.046 . 1 . . . . . 20 ARG CA . 26312 1 164 . 1 . 1 20 20 ARG CB C 13 29.546 0 . 1 . . . . . 20 ARG CB . 26312 1 165 . 1 . 1 20 20 ARG N N 15 118.718 0.066 . 1 . . . . . 20 ARG N . 26312 1 166 . 1 . 1 22 22 PRO HA H 1 4.117 0 . 1 . . . . . 22 PRO HA . 26312 1 167 . 1 . 1 22 22 PRO HB2 H 1 2.138 0 . 2 . . . . . 22 PRO HB . 26312 1 168 . 1 . 1 22 22 PRO HB3 H 1 2.138 0 . 2 . . . . . 22 PRO HB . 26312 1 169 . 1 . 1 22 22 PRO C C 13 175.338 0 . 1 . . . . . 22 PRO C . 26312 1 170 . 1 . 1 22 22 PRO CA C 13 63.405 0.036 . 1 . . . . . 22 PRO CA . 26312 1 171 . 1 . 1 22 22 PRO CB C 13 32.204 0 . 1 . . . . . 22 PRO CB . 26312 1 172 . 1 . 1 23 23 TYR H H 1 7.75 0.025 . 1 . . . . . 23 TYR H . 26312 1 173 . 1 . 1 23 23 TYR HA H 1 6.073 0.022 . 1 . . . . . 23 TYR HA . 26312 1 174 . 1 . 1 23 23 TYR HB2 H 1 2.764 0.001 . 2 . . . . . 23 TYR HB2 . 26312 1 175 . 1 . 1 23 23 TYR HB3 H 1 3.023 0.015 . 2 . . . . . 23 TYR HB3 . 26312 1 176 . 1 . 1 23 23 TYR HD1 H 1 6.966 0 . 3 . . . . . 23 TYR HD . 26312 1 177 . 1 . 1 23 23 TYR HD2 H 1 6.966 0 . 3 . . . . . 23 TYR HD . 26312 1 178 . 1 . 1 23 23 TYR C C 13 175.041 0 . 1 . . . . . 23 TYR C . 26312 1 179 . 1 . 1 23 23 TYR CA C 13 55.152 0.158 . 1 . . . . . 23 TYR CA . 26312 1 180 . 1 . 1 23 23 TYR CB C 13 41.906 0 . 1 . . . . . 23 TYR CB . 26312 1 181 . 1 . 1 23 23 TYR N N 15 114.518 0.141 . 1 . . . . . 23 TYR N . 26312 1 182 . 1 . 1 24 24 LYS H H 1 8.931 0.005 . 1 . . . . . 24 LYS H . 26312 1 183 . 1 . 1 24 24 LYS HA H 1 4.625 0.006 . 1 . . . . . 24 LYS HA . 26312 1 184 . 1 . 1 24 24 LYS HB2 H 1 1.343 0 . 2 . . . . . 24 LYS HB2 . 26312 1 185 . 1 . 1 24 24 LYS HB3 H 1 1.668 0.054 . 2 . . . . . 24 LYS HB3 . 26312 1 186 . 1 . 1 24 24 LYS C C 13 174.921 0 . 1 . . . . . 24 LYS C . 26312 1 187 . 1 . 1 24 24 LYS CA C 13 54.025 0.076 . 1 . . . . . 24 LYS CA . 26312 1 188 . 1 . 1 24 24 LYS CB C 13 36.478 0.04 . 1 . . . . . 24 LYS CB . 26312 1 189 . 1 . 1 24 24 LYS N N 15 120.564 0.071 . 1 . . . . . 24 LYS N . 26312 1 190 . 1 . 1 25 25 VAL H H 1 8.621 0.009 . 1 . . . . . 25 VAL H . 26312 1 191 . 1 . 1 25 25 VAL HA H 1 5.285 0.011 . 1 . . . . . 25 VAL HA . 26312 1 192 . 1 . 1 25 25 VAL HB H 1 1.99 0.004 . 1 . . . . . 25 VAL HB . 26312 1 193 . 1 . 1 25 25 VAL HG11 H 1 0.994 0 . 2 . . . . . 25 VAL HG1 . 26312 1 194 . 1 . 1 25 25 VAL HG12 H 1 0.994 0 . 2 . . . . . 25 VAL HG1 . 26312 1 195 . 1 . 1 25 25 VAL HG13 H 1 0.994 0 . 2 . . . . . 25 VAL HG1 . 26312 1 196 . 1 . 1 25 25 VAL HG21 H 1 0.82 0.012 . 2 . . . . . 25 VAL HG2 . 26312 1 197 . 1 . 1 25 25 VAL HG22 H 1 0.82 0.012 . 2 . . . . . 25 VAL HG2 . 26312 1 198 . 1 . 1 25 25 VAL HG23 H 1 0.82 0.012 . 2 . . . . . 25 VAL HG2 . 26312 1 199 . 1 . 1 25 25 VAL C C 13 175.576 0 . 1 . . . . . 25 VAL C . 26312 1 200 . 1 . 1 25 25 VAL CA C 13 61.184 0.076 . 1 . . . . . 25 VAL CA . 26312 1 201 . 1 . 1 25 25 VAL CB C 13 32.511 0.069 . 1 . . . . . 25 VAL CB . 26312 1 202 . 1 . 1 25 25 VAL N N 15 123.435 0.037 . 1 . . . . . 25 VAL N . 26312 1 203 . 1 . 1 26 26 LEU H H 1 9.022 0.007 . 1 . . . . . 26 LEU H . 26312 1 204 . 1 . 1 26 26 LEU HA H 1 4.666 0.011 . 1 . . . . . 26 LEU HA . 26312 1 205 . 1 . 1 26 26 LEU HB3 H 1 1.46 0.011 . 2 . . . . . 26 LEU HB3 . 26312 1 206 . 1 . 1 26 26 LEU HD11 H 1 0.586 0.006 . 2 . . . . . 26 LEU HD1 . 26312 1 207 . 1 . 1 26 26 LEU HD12 H 1 0.586 0.006 . 2 . . . . . 26 LEU HD1 . 26312 1 208 . 1 . 1 26 26 LEU HD13 H 1 0.586 0.006 . 2 . . . . . 26 LEU HD1 . 26312 1 209 . 1 . 1 26 26 LEU C C 13 174.929 0 . 1 . . . . . 26 LEU C . 26312 1 210 . 1 . 1 26 26 LEU CA C 13 53.656 0.079 . 1 . . . . . 26 LEU CA . 26312 1 211 . 1 . 1 26 26 LEU CB C 13 45.084 0.031 . 1 . . . . . 26 LEU CB . 26312 1 212 . 1 . 1 26 26 LEU N N 15 129.637 0.03 . 1 . . . . . 26 LEU N . 26312 1 213 . 1 . 1 27 27 SER H H 1 8.526 0.014 . 1 . . . . . 27 SER H . 26312 1 214 . 1 . 1 27 27 SER HA H 1 5.585 0.008 . 1 . . . . . 27 SER HA . 26312 1 215 . 1 . 1 27 27 SER HB2 H 1 3.491 0.008 . 2 . . . . . 27 SER HB . 26312 1 216 . 1 . 1 27 27 SER HB3 H 1 3.491 0.008 . 2 . . . . . 27 SER HB . 26312 1 217 . 1 . 1 27 27 SER C C 13 174.511 0 . 1 . . . . . 27 SER C . 26312 1 218 . 1 . 1 27 27 SER CA C 13 56.433 0.09 . 1 . . . . . 27 SER CA . 26312 1 219 . 1 . 1 27 27 SER CB C 13 64.035 0.026 . 1 . . . . . 27 SER CB . 26312 1 220 . 1 . 1 27 27 SER N N 15 119.671 0.046 . 1 . . . . . 27 SER N . 26312 1 221 . 1 . 1 28 28 VAL H H 1 8.816 0.004 . 1 . . . . . 28 VAL H . 26312 1 222 . 1 . 1 28 28 VAL HA H 1 5.001 0.009 . 1 . . . . . 28 VAL HA . 26312 1 223 . 1 . 1 28 28 VAL HB H 1 2.375 0 . 1 . . . . . 28 VAL HB . 26312 1 224 . 1 . 1 28 28 VAL HG11 H 1 0.939 0 . 2 . . . . . 28 VAL HG1 . 26312 1 225 . 1 . 1 28 28 VAL HG12 H 1 0.939 0 . 2 . . . . . 28 VAL HG1 . 26312 1 226 . 1 . 1 28 28 VAL HG13 H 1 0.939 0 . 2 . . . . . 28 VAL HG1 . 26312 1 227 . 1 . 1 28 28 VAL HG21 H 1 0.765 0 . 2 . . . . . 28 VAL HG2 . 26312 1 228 . 1 . 1 28 28 VAL HG22 H 1 0.765 0 . 2 . . . . . 28 VAL HG2 . 26312 1 229 . 1 . 1 28 28 VAL HG23 H 1 0.765 0 . 2 . . . . . 28 VAL HG2 . 26312 1 230 . 1 . 1 28 28 VAL CA C 13 57.134 0.142 . 1 . . . . . 28 VAL CA . 26312 1 231 . 1 . 1 28 28 VAL CB C 13 34.096 0 . 1 . . . . . 28 VAL CB . 26312 1 232 . 1 . 1 28 28 VAL N N 15 117.873 0.046 . 1 . . . . . 28 VAL N . 26312 1 233 . 1 . 1 29 29 PRO HA H 1 4.611 0.012 . 1 . . . . . 29 PRO HA . 26312 1 234 . 1 . 1 29 29 PRO HB2 H 1 1.835 0 . 2 . . . . . 29 PRO HB2 . 26312 1 235 . 1 . 1 29 29 PRO HB3 H 1 2.512 0.012 . 2 . . . . . 29 PRO HB3 . 26312 1 236 . 1 . 1 29 29 PRO C C 13 179.335 0 . 1 . . . . . 29 PRO C . 26312 1 237 . 1 . 1 29 29 PRO CA C 13 63.145 0.094 . 1 . . . . . 29 PRO CA . 26312 1 238 . 1 . 1 29 29 PRO CB C 13 32.221 0.03 . 1 . . . . . 29 PRO CB . 26312 1 239 . 1 . 1 30 30 GLU H H 1 8.883 0.004 . 1 . . . . . 30 GLU H . 26312 1 240 . 1 . 1 30 30 GLU HA H 1 3.817 0.007 . 1 . . . . . 30 GLU HA . 26312 1 241 . 1 . 1 30 30 GLU HB2 H 1 2.146 0 . 2 . . . . . 30 GLU HB2 . 26312 1 242 . 1 . 1 30 30 GLU HB3 H 1 1.924 0.022 . 2 . . . . . 30 GLU HB3 . 26312 1 243 . 1 . 1 30 30 GLU HG2 H 1 2.26 0.005 . 2 . . . . . 30 GLU HG . 26312 1 244 . 1 . 1 30 30 GLU HG3 H 1 2.26 0.005 . 2 . . . . . 30 GLU HG . 26312 1 245 . 1 . 1 30 30 GLU CA C 13 59.629 0.128 . 1 . . . . . 30 GLU CA . 26312 1 246 . 1 . 1 30 30 GLU CB C 13 29.4 0 . 1 . . . . . 30 GLU CB . 26312 1 247 . 1 . 1 30 30 GLU N N 15 124.47 0.055 . 1 . . . . . 30 GLU N . 26312 1 248 . 1 . 1 31 31 SER H H 1 7.784 0.006 . 1 . . . . . 31 SER H . 26312 1 249 . 1 . 1 31 31 SER HA H 1 4.39 0.015 . 1 . . . . . 31 SER HA . 26312 1 250 . 1 . 1 31 31 SER C C 13 174.114 0 . 1 . . . . . 31 SER C . 26312 1 251 . 1 . 1 31 31 SER CA C 13 58.486 0.086 . 1 . . . . . 31 SER CA . 26312 1 252 . 1 . 1 31 31 SER CB C 13 63.692 0 . 1 . . . . . 31 SER CB . 26312 1 253 . 1 . 1 31 31 SER N N 15 110.929 0.051 . 1 . . . . . 31 SER N . 26312 1 254 . 1 . 1 32 32 THR H H 1 7.789 0.003 . 1 . . . . . 32 THR H . 26312 1 255 . 1 . 1 32 32 THR HA H 1 4.223 0 . 1 . . . . . 32 THR HA . 26312 1 256 . 1 . 1 32 32 THR HB H 1 3.941 0 . 1 . . . . . 32 THR HB . 26312 1 257 . 1 . 1 32 32 THR CA C 13 62.291 0.085 . 1 . . . . . 32 THR CA . 26312 1 258 . 1 . 1 32 32 THR CB C 13 70.811 0 . 1 . . . . . 32 THR CB . 26312 1 259 . 1 . 1 32 32 THR N N 15 121.772 0.033 . 1 . . . . . 32 THR N . 26312 1 260 . 1 . 1 33 33 PRO HA H 1 4.631 0.008 . 1 . . . . . 33 PRO HA . 26312 1 261 . 1 . 1 33 33 PRO HB2 H 1 2.145 0.011 . 2 . . . . . 33 PRO HB2 . 26312 1 262 . 1 . 1 33 33 PRO HB3 H 1 2.45 0.006 . 2 . . . . . 33 PRO HB3 . 26312 1 263 . 1 . 1 33 33 PRO C C 13 178.606 0 . 1 . . . . . 33 PRO C . 26312 1 264 . 1 . 1 33 33 PRO CA C 13 63.098 0.107 . 1 . . . . . 33 PRO CA . 26312 1 265 . 1 . 1 33 33 PRO CB C 13 32.335 0.005 . 1 . . . . . 33 PRO CB . 26312 1 266 . 1 . 1 34 34 PHE H H 1 9.492 0.006 . 1 . . . . . 34 PHE H . 26312 1 267 . 1 . 1 34 34 PHE HA H 1 3.986 0.01 . 1 . . . . . 34 PHE HA . 26312 1 268 . 1 . 1 34 34 PHE HB2 H 1 3.132 0 . 2 . . . . . 34 PHE HB2 . 26312 1 269 . 1 . 1 34 34 PHE HB3 H 1 2.975 0.026 . 2 . . . . . 34 PHE HB3 . 26312 1 270 . 1 . 1 34 34 PHE HD1 H 1 6.869 0 . 3 . . . . . 34 PHE HD . 26312 1 271 . 1 . 1 34 34 PHE HD2 H 1 6.869 0 . 3 . . . . . 34 PHE HD . 26312 1 272 . 1 . 1 34 34 PHE C C 13 177.583 0 . 1 . . . . . 34 PHE C . 26312 1 273 . 1 . 1 34 34 PHE CA C 13 62.84 0.1 . 1 . . . . . 34 PHE CA . 26312 1 274 . 1 . 1 34 34 PHE CB C 13 38.589 0.037 . 1 . . . . . 34 PHE CB . 26312 1 275 . 1 . 1 34 34 PHE N N 15 126.547 0.057 . 1 . . . . . 34 PHE N . 26312 1 276 . 1 . 1 35 35 THR H H 1 8.063 0.006 . 1 . . . . . 35 THR H . 26312 1 277 . 1 . 1 35 35 THR HA H 1 3.799 0.02 . 1 . . . . . 35 THR HA . 26312 1 278 . 1 . 1 35 35 THR HB H 1 4.12 0.019 . 1 . . . . . 35 THR HB . 26312 1 279 . 1 . 1 35 35 THR HG21 H 1 1.325 0.017 . 1 . . . . . 35 THR HG2 . 26312 1 280 . 1 . 1 35 35 THR HG22 H 1 1.325 0.017 . 1 . . . . . 35 THR HG2 . 26312 1 281 . 1 . 1 35 35 THR HG23 H 1 1.325 0.017 . 1 . . . . . 35 THR HG2 . 26312 1 282 . 1 . 1 35 35 THR C C 13 176.608 0 . 1 . . . . . 35 THR C . 26312 1 283 . 1 . 1 35 35 THR CA C 13 65.195 0.068 . 1 . . . . . 35 THR CA . 26312 1 284 . 1 . 1 35 35 THR CB C 13 68.092 0.047 . 1 . . . . . 35 THR CB . 26312 1 285 . 1 . 1 35 35 THR N N 15 112.23 0.079 . 1 . . . . . 35 THR N . 26312 1 286 . 1 . 1 36 36 ALA H H 1 7.625 0.007 . 1 . . . . . 36 ALA H . 26312 1 287 . 1 . 1 36 36 ALA HA H 1 4.034 0.012 . 1 . . . . . 36 ALA HA . 26312 1 288 . 1 . 1 36 36 ALA HB1 H 1 1.353 0.008 . 1 . . . . . 36 ALA HB . 26312 1 289 . 1 . 1 36 36 ALA HB2 H 1 1.353 0.008 . 1 . . . . . 36 ALA HB . 26312 1 290 . 1 . 1 36 36 ALA HB3 H 1 1.353 0.008 . 1 . . . . . 36 ALA HB . 26312 1 291 . 1 . 1 36 36 ALA C C 13 179.753 0 . 1 . . . . . 36 ALA C . 26312 1 292 . 1 . 1 36 36 ALA CA C 13 54.522 0.048 . 1 . . . . . 36 ALA CA . 26312 1 293 . 1 . 1 36 36 ALA CB C 13 18.338 0.044 . 1 . . . . . 36 ALA CB . 26312 1 294 . 1 . 1 36 36 ALA N N 15 124.611 0.044 . 1 . . . . . 36 ALA N . 26312 1 295 . 1 . 1 37 37 VAL H H 1 7.134 0.003 . 1 . . . . . 37 VAL H . 26312 1 296 . 1 . 1 37 37 VAL HA H 1 3.287 0.005 . 1 . . . . . 37 VAL HA . 26312 1 297 . 1 . 1 37 37 VAL HB H 1 1.108 0.006 . 1 . . . . . 37 VAL HB . 26312 1 298 . 1 . 1 37 37 VAL HG11 H 1 0.679 0.008 . 2 . . . . . 37 VAL HG1 . 26312 1 299 . 1 . 1 37 37 VAL HG12 H 1 0.679 0.008 . 2 . . . . . 37 VAL HG1 . 26312 1 300 . 1 . 1 37 37 VAL HG13 H 1 0.679 0.008 . 2 . . . . . 37 VAL HG1 . 26312 1 301 . 1 . 1 37 37 VAL HG21 H 1 0.333 0.022 . 2 . . . . . 37 VAL HG2 . 26312 1 302 . 1 . 1 37 37 VAL HG22 H 1 0.333 0.022 . 2 . . . . . 37 VAL HG2 . 26312 1 303 . 1 . 1 37 37 VAL HG23 H 1 0.333 0.022 . 2 . . . . . 37 VAL HG2 . 26312 1 304 . 1 . 1 37 37 VAL C C 13 176.727 0 . 1 . . . . . 37 VAL C . 26312 1 305 . 1 . 1 37 37 VAL CA C 13 66.388 0.09 . 1 . . . . . 37 VAL CA . 26312 1 306 . 1 . 1 37 37 VAL CB C 13 30.016 0.07 . 1 . . . . . 37 VAL CB . 26312 1 307 . 1 . 1 37 37 VAL N N 15 119.81 0.054 . 1 . . . . . 37 VAL N . 26312 1 308 . 1 . 1 38 38 LEU H H 1 7.348 0.004 . 1 . . . . . 38 LEU H . 26312 1 309 . 1 . 1 38 38 LEU HA H 1 3.742 0.013 . 1 . . . . . 38 LEU HA . 26312 1 310 . 1 . 1 38 38 LEU HB2 H 1 1.742 0.022 . 2 . . . . . 38 LEU HB2 . 26312 1 311 . 1 . 1 38 38 LEU HB3 H 1 1.357 0.022 . 2 . . . . . 38 LEU HB3 . 26312 1 312 . 1 . 1 38 38 LEU HD21 H 1 0.87 0.024 . 2 . . . . . 38 LEU HD2 . 26312 1 313 . 1 . 1 38 38 LEU HD22 H 1 0.87 0.024 . 2 . . . . . 38 LEU HD2 . 26312 1 314 . 1 . 1 38 38 LEU HD23 H 1 0.87 0.024 . 2 . . . . . 38 LEU HD2 . 26312 1 315 . 1 . 1 38 38 LEU C C 13 177.534 0 . 1 . . . . . 38 LEU C . 26312 1 316 . 1 . 1 38 38 LEU CA C 13 58.616 0.042 . 1 . . . . . 38 LEU CA . 26312 1 317 . 1 . 1 38 38 LEU CB C 13 41.365 0.042 . 1 . . . . . 38 LEU CB . 26312 1 318 . 1 . 1 38 38 LEU N N 15 119.462 0.042 . 1 . . . . . 38 LEU N . 26312 1 319 . 1 . 1 39 39 LYS H H 1 7.354 0.003 . 1 . . . . . 39 LYS H . 26312 1 320 . 1 . 1 39 39 LYS HA H 1 3.773 0.014 . 1 . . . . . 39 LYS HA . 26312 1 321 . 1 . 1 39 39 LYS HB2 H 1 1.772 0.011 . 2 . . . . . 39 LYS HB . 26312 1 322 . 1 . 1 39 39 LYS HB3 H 1 1.772 0.011 . 2 . . . . . 39 LYS HB . 26312 1 323 . 1 . 1 39 39 LYS C C 13 178.416 0 . 1 . . . . . 39 LYS C . 26312 1 324 . 1 . 1 39 39 LYS CA C 13 60.181 0.127 . 1 . . . . . 39 LYS CA . 26312 1 325 . 1 . 1 39 39 LYS CB C 13 32.325 0.003 . 1 . . . . . 39 LYS CB . 26312 1 326 . 1 . 1 39 39 LYS N N 15 118.339 0.079 . 1 . . . . . 39 LYS N . 26312 1 327 . 1 . 1 40 40 PHE H H 1 7.888 0.004 . 1 . . . . . 40 PHE H . 26312 1 328 . 1 . 1 40 40 PHE HA H 1 4.512 0.005 . 1 . . . . . 40 PHE HA . 26312 1 329 . 1 . 1 40 40 PHE HB3 H 1 3.169 0.002 . 2 . . . . . 40 PHE HB3 . 26312 1 330 . 1 . 1 40 40 PHE C C 13 177.966 0 . 1 . . . . . 40 PHE C . 26312 1 331 . 1 . 1 40 40 PHE CA C 13 59.198 0.029 . 1 . . . . . 40 PHE CA . 26312 1 332 . 1 . 1 40 40 PHE CB C 13 38.884 0.04 . 1 . . . . . 40 PHE CB . 26312 1 333 . 1 . 1 40 40 PHE N N 15 118.91 0.055 . 1 . . . . . 40 PHE N . 26312 1 334 . 1 . 1 41 41 ALA H H 1 8.7 0.008 . 1 . . . . . 41 ALA H . 26312 1 335 . 1 . 1 41 41 ALA HA H 1 3.685 0.014 . 1 . . . . . 41 ALA HA . 26312 1 336 . 1 . 1 41 41 ALA HB1 H 1 1.378 0.021 . 1 . . . . . 41 ALA HB . 26312 1 337 . 1 . 1 41 41 ALA HB2 H 1 1.378 0.021 . 1 . . . . . 41 ALA HB . 26312 1 338 . 1 . 1 41 41 ALA HB3 H 1 1.378 0.021 . 1 . . . . . 41 ALA HB . 26312 1 339 . 1 . 1 41 41 ALA C C 13 178.355 0 . 1 . . . . . 41 ALA C . 26312 1 340 . 1 . 1 41 41 ALA CA C 13 55.273 0.078 . 1 . . . . . 41 ALA CA . 26312 1 341 . 1 . 1 41 41 ALA CB C 13 18.518 0.121 . 1 . . . . . 41 ALA CB . 26312 1 342 . 1 . 1 41 41 ALA N N 15 121.663 0.046 . 1 . . . . . 41 ALA N . 26312 1 343 . 1 . 1 42 42 ALA H H 1 8.625 0.005 . 1 . . . . . 42 ALA H . 26312 1 344 . 1 . 1 42 42 ALA HA H 1 3.917 0.007 . 1 . . . . . 42 ALA HA . 26312 1 345 . 1 . 1 42 42 ALA HB1 H 1 1.445 0.007 . 1 . . . . . 42 ALA HB . 26312 1 346 . 1 . 1 42 42 ALA HB2 H 1 1.445 0.007 . 1 . . . . . 42 ALA HB . 26312 1 347 . 1 . 1 42 42 ALA HB3 H 1 1.445 0.007 . 1 . . . . . 42 ALA HB . 26312 1 348 . 1 . 1 42 42 ALA C C 13 179.901 0 . 1 . . . . . 42 ALA C . 26312 1 349 . 1 . 1 42 42 ALA CA C 13 55.38 0.072 . 1 . . . . . 42 ALA CA . 26312 1 350 . 1 . 1 42 42 ALA CB C 13 17.081 0.006 . 1 . . . . . 42 ALA CB . 26312 1 351 . 1 . 1 42 42 ALA N N 15 120.259 0.04 . 1 . . . . . 42 ALA N . 26312 1 352 . 1 . 1 43 43 GLU H H 1 7.948 0.008 . 1 . . . . . 43 GLU H . 26312 1 353 . 1 . 1 43 43 GLU HA H 1 4.08 0.006 . 1 . . . . . 43 GLU HA . 26312 1 354 . 1 . 1 43 43 GLU HB2 H 1 2.052 0.016 . 2 . . . . . 43 GLU HB2 . 26312 1 355 . 1 . 1 43 43 GLU HB3 H 1 2.217 0.012 . 2 . . . . . 43 GLU HB3 . 26312 1 356 . 1 . 1 43 43 GLU HG2 H 1 2.447 0 . 2 . . . . . 43 GLU HG2 . 26312 1 357 . 1 . 1 43 43 GLU C C 13 180.349 0 . 1 . . . . . 43 GLU C . 26312 1 358 . 1 . 1 43 43 GLU CA C 13 59.116 0.039 . 1 . . . . . 43 GLU CA . 26312 1 359 . 1 . 1 43 43 GLU CB C 13 29.147 0.03 . 1 . . . . . 43 GLU CB . 26312 1 360 . 1 . 1 43 43 GLU N N 15 117.256 0.054 . 1 . . . . . 43 GLU N . 26312 1 361 . 1 . 1 44 44 GLU H H 1 8.107 0.005 . 1 . . . . . 44 GLU H . 26312 1 362 . 1 . 1 44 44 GLU HA H 1 3.875 0.018 . 1 . . . . . 44 GLU HA . 26312 1 363 . 1 . 1 44 44 GLU HB2 H 1 1.602 0.002 . 2 . . . . . 44 GLU HB2 . 26312 1 364 . 1 . 1 44 44 GLU HB3 H 1 1.456 0.006 . 2 . . . . . 44 GLU HB3 . 26312 1 365 . 1 . 1 44 44 GLU HG2 H 1 1.9 0 . 2 . . . . . 44 GLU HG2 . 26312 1 366 . 1 . 1 44 44 GLU C C 13 178.636 0 . 1 . . . . . 44 GLU C . 26312 1 367 . 1 . 1 44 44 GLU CA C 13 58.708 0.033 . 1 . . . . . 44 GLU CA . 26312 1 368 . 1 . 1 44 44 GLU CB C 13 29.255 0.013 . 1 . . . . . 44 GLU CB . 26312 1 369 . 1 . 1 44 44 GLU N N 15 119.787 0.062 . 1 . . . . . 44 GLU N . 26312 1 370 . 1 . 1 45 45 PHE H H 1 7.977 0.004 . 1 . . . . . 45 PHE H . 26312 1 371 . 1 . 1 45 45 PHE HA H 1 4.475 0.006 . 1 . . . . . 45 PHE HA . 26312 1 372 . 1 . 1 45 45 PHE HB2 H 1 2.705 0.015 . 2 . . . . . 45 PHE HB2 . 26312 1 373 . 1 . 1 45 45 PHE HB3 H 1 3.333 0.025 . 2 . . . . . 45 PHE HB3 . 26312 1 374 . 1 . 1 45 45 PHE HD1 H 1 7.314 0 . 3 . . . . . 45 PHE HD . 26312 1 375 . 1 . 1 45 45 PHE HD2 H 1 7.314 0 . 3 . . . . . 45 PHE HD . 26312 1 376 . 1 . 1 45 45 PHE C C 13 174.028 0 . 1 . . . . . 45 PHE C . 26312 1 377 . 1 . 1 45 45 PHE CA C 13 59.157 0.092 . 1 . . . . . 45 PHE CA . 26312 1 378 . 1 . 1 45 45 PHE CB C 13 39.794 0.024 . 1 . . . . . 45 PHE CB . 26312 1 379 . 1 . 1 45 45 PHE N N 15 115.623 0.062 . 1 . . . . . 45 PHE N . 26312 1 380 . 1 . 1 46 46 LYS H H 1 7.868 0.006 . 1 . . . . . 46 LYS H . 26312 1 381 . 1 . 1 46 46 LYS HA H 1 3.901 0.01 . 1 . . . . . 46 LYS HA . 26312 1 382 . 1 . 1 46 46 LYS HB2 H 1 2.153 0.011 . 2 . . . . . 46 LYS HB2 . 26312 1 383 . 1 . 1 46 46 LYS HB3 H 1 1.836 0.005 . 2 . . . . . 46 LYS HB3 . 26312 1 384 . 1 . 1 46 46 LYS HG2 H 1 1.317 0 . 2 . . . . . 46 LYS HG . 26312 1 385 . 1 . 1 46 46 LYS HG3 H 1 1.317 0 . 2 . . . . . 46 LYS HG . 26312 1 386 . 1 . 1 46 46 LYS C C 13 175.912 0 . 1 . . . . . 46 LYS C . 26312 1 387 . 1 . 1 46 46 LYS CA C 13 57.026 0.077 . 1 . . . . . 46 LYS CA . 26312 1 388 . 1 . 1 46 46 LYS CB C 13 28.624 0.111 . 1 . . . . . 46 LYS CB . 26312 1 389 . 1 . 1 46 46 LYS N N 15 118.013 0.082 . 1 . . . . . 46 LYS N . 26312 1 390 . 1 . 1 47 47 VAL H H 1 8.122 0.004 . 1 . . . . . 47 VAL H . 26312 1 391 . 1 . 1 47 47 VAL HA H 1 4.83 0.004 . 1 . . . . . 47 VAL HA . 26312 1 392 . 1 . 1 47 47 VAL HB H 1 1.95 0 . 1 . . . . . 47 VAL HB . 26312 1 393 . 1 . 1 47 47 VAL HG11 H 1 0.777 0 . 2 . . . . . 47 VAL HG . 26312 1 394 . 1 . 1 47 47 VAL HG12 H 1 0.777 0 . 2 . . . . . 47 VAL HG . 26312 1 395 . 1 . 1 47 47 VAL HG13 H 1 0.777 0 . 2 . . . . . 47 VAL HG . 26312 1 396 . 1 . 1 47 47 VAL HG21 H 1 0.777 0 . 2 . . . . . 47 VAL HG . 26312 1 397 . 1 . 1 47 47 VAL HG22 H 1 0.777 0 . 2 . . . . . 47 VAL HG . 26312 1 398 . 1 . 1 47 47 VAL HG23 H 1 0.777 0 . 2 . . . . . 47 VAL HG . 26312 1 399 . 1 . 1 47 47 VAL CA C 13 57.577 0.11 . 1 . . . . . 47 VAL CA . 26312 1 400 . 1 . 1 47 47 VAL CB C 13 32.325 0 . 1 . . . . . 47 VAL CB . 26312 1 401 . 1 . 1 47 47 VAL N N 15 113.251 0.047 . 1 . . . . . 47 VAL N . 26312 1 402 . 1 . 1 48 48 PRO HA H 1 4.345 0.002 . 1 . . . . . 48 PRO HA . 26312 1 403 . 1 . 1 48 48 PRO HB2 H 1 2.051 0.016 . 2 . . . . . 48 PRO HB2 . 26312 1 404 . 1 . 1 48 48 PRO HB3 H 1 2.262 0.029 . 2 . . . . . 48 PRO HB3 . 26312 1 405 . 1 . 1 48 48 PRO C C 13 179.234 0 . 1 . . . . . 48 PRO C . 26312 1 406 . 1 . 1 48 48 PRO CA C 13 62.504 0.108 . 1 . . . . . 48 PRO CA . 26312 1 407 . 1 . 1 48 48 PRO CB C 13 31.284 0.078 . 1 . . . . . 48 PRO CB . 26312 1 408 . 1 . 1 49 49 ALA H H 1 8.923 0.007 . 1 . . . . . 49 ALA H . 26312 1 409 . 1 . 1 49 49 ALA HA H 1 3.693 0.002 . 1 . . . . . 49 ALA HA . 26312 1 410 . 1 . 1 49 49 ALA HB1 H 1 1.353 0.018 . 1 . . . . . 49 ALA HB . 26312 1 411 . 1 . 1 49 49 ALA HB2 H 1 1.353 0.018 . 1 . . . . . 49 ALA HB . 26312 1 412 . 1 . 1 49 49 ALA HB3 H 1 1.353 0.018 . 1 . . . . . 49 ALA HB . 26312 1 413 . 1 . 1 49 49 ALA C C 13 179.815 0 . 1 . . . . . 49 ALA C . 26312 1 414 . 1 . 1 49 49 ALA CA C 13 55.403 0.095 . 1 . . . . . 49 ALA CA . 26312 1 415 . 1 . 1 49 49 ALA CB C 13 18.124 0.043 . 1 . . . . . 49 ALA CB . 26312 1 416 . 1 . 1 49 49 ALA N N 15 131.512 0.046 . 1 . . . . . 49 ALA N . 26312 1 417 . 1 . 1 50 50 ALA H H 1 8.497 0.009 . 1 . . . . . 50 ALA H . 26312 1 418 . 1 . 1 50 50 ALA HA H 1 4.138 0.02 . 1 . . . . . 50 ALA HA . 26312 1 419 . 1 . 1 50 50 ALA HB1 H 1 1.437 0.022 . 1 . . . . . 50 ALA HB . 26312 1 420 . 1 . 1 50 50 ALA HB2 H 1 1.437 0.022 . 1 . . . . . 50 ALA HB . 26312 1 421 . 1 . 1 50 50 ALA HB3 H 1 1.437 0.022 . 1 . . . . . 50 ALA HB . 26312 1 422 . 1 . 1 50 50 ALA C C 13 178.907 0 . 1 . . . . . 50 ALA C . 26312 1 423 . 1 . 1 50 50 ALA CA C 13 54.523 0.104 . 1 . . . . . 50 ALA CA . 26312 1 424 . 1 . 1 50 50 ALA CB C 13 19.117 0.041 . 1 . . . . . 50 ALA CB . 26312 1 425 . 1 . 1 50 50 ALA N N 15 115.787 0.079 . 1 . . . . . 50 ALA N . 26312 1 426 . 1 . 1 51 51 THR H H 1 6.897 0.004 . 1 . . . . . 51 THR H . 26312 1 427 . 1 . 1 51 51 THR HA H 1 4.502 0.02 . 1 . . . . . 51 THR HA . 26312 1 428 . 1 . 1 51 51 THR HB H 1 4.627 0.011 . 1 . . . . . 51 THR HB . 26312 1 429 . 1 . 1 51 51 THR HG21 H 1 1.065 0.004 . 1 . . . . . 51 THR HG2 . 26312 1 430 . 1 . 1 51 51 THR HG22 H 1 1.065 0.004 . 1 . . . . . 51 THR HG2 . 26312 1 431 . 1 . 1 51 51 THR HG23 H 1 1.065 0.004 . 1 . . . . . 51 THR HG2 . 26312 1 432 . 1 . 1 51 51 THR C C 13 174.098 0 . 1 . . . . . 51 THR C . 26312 1 433 . 1 . 1 51 51 THR CA C 13 60.029 0.138 . 1 . . . . . 51 THR CA . 26312 1 434 . 1 . 1 51 51 THR CB C 13 68.023 0.029 . 1 . . . . . 51 THR CB . 26312 1 435 . 1 . 1 51 51 THR N N 15 130.837 0.022 . 1 . . . . . 51 THR N . 26312 1 436 . 1 . 1 52 52 SER H H 1 7.262 0.007 . 1 . . . . . 52 SER H . 26312 1 437 . 1 . 1 52 52 SER HA H 1 5.095 0.014 . 1 . . . . . 52 SER HA . 26312 1 438 . 1 . 1 52 52 SER HB2 H 1 3.505 0 . 2 . . . . . 52 SER HB2 . 26312 1 439 . 1 . 1 52 52 SER HB3 H 1 3.528 0 . 2 . . . . . 52 SER HB3 . 26312 1 440 . 1 . 1 52 52 SER C C 13 171.277 0 . 1 . . . . . 52 SER C . 26312 1 441 . 1 . 1 52 52 SER CA C 13 58.763 0.042 . 1 . . . . . 52 SER CA . 26312 1 442 . 1 . 1 52 52 SER CB C 13 65.618 0.052 . 1 . . . . . 52 SER CB . 26312 1 443 . 1 . 1 52 52 SER N N 15 118.609 0.031 . 1 . . . . . 52 SER N . 26312 1 444 . 1 . 1 53 53 ALA H H 1 8.816 0.004 . 1 . . . . . 53 ALA H . 26312 1 445 . 1 . 1 53 53 ALA HA H 1 4.598 0.005 . 1 . . . . . 53 ALA HA . 26312 1 446 . 1 . 1 53 53 ALA HB1 H 1 1.21 0.008 . 1 . . . . . 53 ALA HB . 26312 1 447 . 1 . 1 53 53 ALA HB2 H 1 1.21 0.008 . 1 . . . . . 53 ALA HB . 26312 1 448 . 1 . 1 53 53 ALA HB3 H 1 1.21 0.008 . 1 . . . . . 53 ALA HB . 26312 1 449 . 1 . 1 53 53 ALA C C 13 174.909 0 . 1 . . . . . 53 ALA C . 26312 1 450 . 1 . 1 53 53 ALA CA C 13 50.775 0.061 . 1 . . . . . 53 ALA CA . 26312 1 451 . 1 . 1 53 53 ALA CB C 13 22.217 0.045 . 1 . . . . . 53 ALA CB . 26312 1 452 . 1 . 1 53 53 ALA N N 15 124.854 0.035 . 1 . . . . . 53 ALA N . 26312 1 453 . 1 . 1 54 54 ILE H H 1 8.449 0.006 . 1 . . . . . 54 ILE H . 26312 1 454 . 1 . 1 54 54 ILE HA H 1 5.251 0.009 . 1 . . . . . 54 ILE HA . 26312 1 455 . 1 . 1 54 54 ILE HB H 1 1.684 0.015 . 1 . . . . . 54 ILE HB . 26312 1 456 . 1 . 1 54 54 ILE HD11 H 1 0.665 0.005 . 1 . . . . . 54 ILE HD1 . 26312 1 457 . 1 . 1 54 54 ILE HD12 H 1 0.665 0.005 . 1 . . . . . 54 ILE HD1 . 26312 1 458 . 1 . 1 54 54 ILE HD13 H 1 0.665 0.005 . 1 . . . . . 54 ILE HD1 . 26312 1 459 . 1 . 1 54 54 ILE HG12 H 1 1.466 0 . 2 . . . . . 54 ILE HG1 . 26312 1 460 . 1 . 1 54 54 ILE HG13 H 1 1.466 0 . 2 . . . . . 54 ILE HG1 . 26312 1 461 . 1 . 1 54 54 ILE HG21 H 1 0.894 0.016 . 1 . . . . . 54 ILE HG2 . 26312 1 462 . 1 . 1 54 54 ILE HG22 H 1 0.894 0.016 . 1 . . . . . 54 ILE HG2 . 26312 1 463 . 1 . 1 54 54 ILE HG23 H 1 0.894 0.016 . 1 . . . . . 54 ILE HG2 . 26312 1 464 . 1 . 1 54 54 ILE C C 13 175.021 0 . 1 . . . . . 54 ILE C . 26312 1 465 . 1 . 1 54 54 ILE CA C 13 59.08 0.081 . 1 . . . . . 54 ILE CA . 26312 1 466 . 1 . 1 54 54 ILE CB C 13 38.762 0.051 . 1 . . . . . 54 ILE CB . 26312 1 467 . 1 . 1 54 54 ILE N N 15 120.116 0.073 . 1 . . . . . 54 ILE N . 26312 1 468 . 1 . 1 55 55 ILE H H 1 8.851 0.006 . 1 . . . . . 55 ILE H . 26312 1 469 . 1 . 1 55 55 ILE HA H 1 5.142 0.011 . 1 . . . . . 55 ILE HA . 26312 1 470 . 1 . 1 55 55 ILE HB H 1 1.589 0.018 . 1 . . . . . 55 ILE HB . 26312 1 471 . 1 . 1 55 55 ILE HG21 H 1 0.735 0.009 . 1 . . . . . 55 ILE HG2 . 26312 1 472 . 1 . 1 55 55 ILE HG22 H 1 0.735 0.009 . 1 . . . . . 55 ILE HG2 . 26312 1 473 . 1 . 1 55 55 ILE HG23 H 1 0.735 0.009 . 1 . . . . . 55 ILE HG2 . 26312 1 474 . 1 . 1 55 55 ILE C C 13 175.857 0 . 1 . . . . . 55 ILE C . 26312 1 475 . 1 . 1 55 55 ILE CA C 13 58.612 0.074 . 1 . . . . . 55 ILE CA . 26312 1 476 . 1 . 1 55 55 ILE CB C 13 42.673 0.016 . 1 . . . . . 55 ILE CB . 26312 1 477 . 1 . 1 55 55 ILE N N 15 121.526 0.069 . 1 . . . . . 55 ILE N . 26312 1 478 . 1 . 1 56 56 THR H H 1 8.472 0.007 . 1 . . . . . 56 THR H . 26312 1 479 . 1 . 1 56 56 THR HA H 1 4.529 0.015 . 1 . . . . . 56 THR HA . 26312 1 480 . 1 . 1 56 56 THR HB H 1 4.756 0.001 . 1 . . . . . 56 THR HB . 26312 1 481 . 1 . 1 56 56 THR HG21 H 1 0.811 0.018 . 1 . . . . . 56 THR HG2 . 26312 1 482 . 1 . 1 56 56 THR HG22 H 1 0.811 0.018 . 1 . . . . . 56 THR HG2 . 26312 1 483 . 1 . 1 56 56 THR HG23 H 1 0.811 0.018 . 1 . . . . . 56 THR HG2 . 26312 1 484 . 1 . 1 56 56 THR C C 13 177.071 0 . 1 . . . . . 56 THR C . 26312 1 485 . 1 . 1 56 56 THR CA C 13 61.05 0.084 . 1 . . . . . 56 THR CA . 26312 1 486 . 1 . 1 56 56 THR CB C 13 70.975 0.056 . 1 . . . . . 56 THR CB . 26312 1 487 . 1 . 1 56 56 THR N N 15 110.481 0.072 . 1 . . . . . 56 THR N . 26312 1 488 . 1 . 1 57 57 ASN H H 1 9.095 0.005 . 1 . . . . . 57 ASN H . 26312 1 489 . 1 . 1 57 57 ASN HA H 1 4.304 0.008 . 1 . . . . . 57 ASN HA . 26312 1 490 . 1 . 1 57 57 ASN HB2 H 1 2.817 0.004 . 2 . . . . . 57 ASN HB . 26312 1 491 . 1 . 1 57 57 ASN HB3 H 1 2.817 0.004 . 2 . . . . . 57 ASN HB . 26312 1 492 . 1 . 1 57 57 ASN HD21 H 1 6.833 0 . 2 . . . . . 57 ASN HD21 . 26312 1 493 . 1 . 1 57 57 ASN HD22 H 1 7.599 0.001 . 2 . . . . . 57 ASN HD22 . 26312 1 494 . 1 . 1 57 57 ASN C C 13 176.07 0 . 1 . . . . . 57 ASN C . 26312 1 495 . 1 . 1 57 57 ASN CA C 13 55.833 0.048 . 1 . . . . . 57 ASN CA . 26312 1 496 . 1 . 1 57 57 ASN CB C 13 38.075 0.015 . 1 . . . . . 57 ASN CB . 26312 1 497 . 1 . 1 57 57 ASN N N 15 119.651 0.067 . 1 . . . . . 57 ASN N . 26312 1 498 . 1 . 1 57 57 ASN ND2 N 15 113.113 0.043 . 1 . . . . . 57 ASN ND2 . 26312 1 499 . 1 . 1 58 58 ASP H H 1 8.067 0.004 . 1 . . . . . 58 ASP H . 26312 1 500 . 1 . 1 58 58 ASP HA H 1 4.658 0.016 . 1 . . . . . 58 ASP HA . 26312 1 501 . 1 . 1 58 58 ASP HB2 H 1 2.715 0.028 . 2 . . . . . 58 ASP HB . 26312 1 502 . 1 . 1 58 58 ASP HB3 H 1 2.715 0.028 . 2 . . . . . 58 ASP HB . 26312 1 503 . 1 . 1 58 58 ASP CA C 13 53.199 0.054 . 1 . . . . . 58 ASP CA . 26312 1 504 . 1 . 1 58 58 ASP CB C 13 39.965 0 . 1 . . . . . 58 ASP CB . 26312 1 505 . 1 . 1 58 58 ASP N N 15 114.866 0.054 . 1 . . . . . 58 ASP N . 26312 1 506 . 1 . 1 59 59 GLY H H 1 7.864 0.007 . 1 . . . . . 59 GLY H . 26312 1 507 . 1 . 1 59 59 GLY HA2 H 1 4.121 0.024 . 2 . . . . . 59 GLY HA2 . 26312 1 508 . 1 . 1 59 59 GLY HA3 H 1 3.493 0.01 . 2 . . . . . 59 GLY HA3 . 26312 1 509 . 1 . 1 59 59 GLY C C 13 173.727 0 . 1 . . . . . 59 GLY C . 26312 1 510 . 1 . 1 59 59 GLY CA C 13 46.129 0.075 . 1 . . . . . 59 GLY CA . 26312 1 511 . 1 . 1 59 59 GLY N N 15 108.182 0.075 . 1 . . . . . 59 GLY N . 26312 1 512 . 1 . 1 60 60 ILE H H 1 7.713 0.005 . 1 . . . . . 60 ILE H . 26312 1 513 . 1 . 1 60 60 ILE HA H 1 4.01 0.019 . 1 . . . . . 60 ILE HA . 26312 1 514 . 1 . 1 60 60 ILE HB H 1 1.841 0.011 . 1 . . . . . 60 ILE HB . 26312 1 515 . 1 . 1 60 60 ILE HG12 H 1 1.306 0 . 2 . . . . . 60 ILE HG1 . 26312 1 516 . 1 . 1 60 60 ILE HG13 H 1 1.306 0 . 2 . . . . . 60 ILE HG1 . 26312 1 517 . 1 . 1 60 60 ILE HG21 H 1 0.884 0.008 . 1 . . . . . 60 ILE HG2 . 26312 1 518 . 1 . 1 60 60 ILE HG22 H 1 0.884 0.008 . 1 . . . . . 60 ILE HG2 . 26312 1 519 . 1 . 1 60 60 ILE HG23 H 1 0.884 0.008 . 1 . . . . . 60 ILE HG2 . 26312 1 520 . 1 . 1 60 60 ILE CA C 13 60.143 0.107 . 1 . . . . . 60 ILE CA . 26312 1 521 . 1 . 1 60 60 ILE CB C 13 37.171 0 . 1 . . . . . 60 ILE CB . 26312 1 522 . 1 . 1 60 60 ILE N N 15 123.04 0.071 . 1 . . . . . 60 ILE N . 26312 1 523 . 1 . 1 61 61 GLY H H 1 8.537 0.006 . 1 . . . . . 61 GLY H . 26312 1 524 . 1 . 1 61 61 GLY HA2 H 1 4.162 0.007 . 2 . . . . . 61 GLY HA2 . 26312 1 525 . 1 . 1 61 61 GLY HA3 H 1 3.57 0.021 . 2 . . . . . 61 GLY HA3 . 26312 1 526 . 1 . 1 61 61 GLY C C 13 173.259 0 . 1 . . . . . 61 GLY C . 26312 1 527 . 1 . 1 61 61 GLY CA C 13 45.782 0.033 . 1 . . . . . 61 GLY CA . 26312 1 528 . 1 . 1 61 61 GLY N N 15 113.419 0.021 . 1 . . . . . 61 GLY N . 26312 1 529 . 1 . 1 62 62 ILE H H 1 7.904 0.003 . 1 . . . . . 62 ILE H . 26312 1 530 . 1 . 1 62 62 ILE HA H 1 3.842 0.008 . 1 . . . . . 62 ILE HA . 26312 1 531 . 1 . 1 62 62 ILE HB H 1 1.348 0.009 . 1 . . . . . 62 ILE HB . 26312 1 532 . 1 . 1 62 62 ILE HG12 H 1 0.359 0 . 2 . . . . . 62 ILE HG12 . 26312 1 533 . 1 . 1 62 62 ILE HG13 H 1 1.133 0 . 2 . . . . . 62 ILE HG13 . 26312 1 534 . 1 . 1 62 62 ILE HG21 H 1 0.07 0.007 . 1 . . . . . 62 ILE HG2 . 26312 1 535 . 1 . 1 62 62 ILE HG22 H 1 0.07 0.007 . 1 . . . . . 62 ILE HG2 . 26312 1 536 . 1 . 1 62 62 ILE HG23 H 1 0.07 0.007 . 1 . . . . . 62 ILE HG2 . 26312 1 537 . 1 . 1 62 62 ILE C C 13 175.791 0 . 1 . . . . . 62 ILE C . 26312 1 538 . 1 . 1 62 62 ILE CA C 13 59.619 0.09 . 1 . . . . . 62 ILE CA . 26312 1 539 . 1 . 1 62 62 ILE CB C 13 39.382 0.047 . 1 . . . . . 62 ILE CB . 26312 1 540 . 1 . 1 62 62 ILE N N 15 124.468 0.051 . 1 . . . . . 62 ILE N . 26312 1 541 . 1 . 1 63 63 ASN H H 1 8.661 0.006 . 1 . . . . . 63 ASN H . 26312 1 542 . 1 . 1 63 63 ASN HA H 1 4.713 0.005 . 1 . . . . . 63 ASN HA . 26312 1 543 . 1 . 1 63 63 ASN HB2 H 1 2.85 0.012 . 2 . . . . . 63 ASN HB . 26312 1 544 . 1 . 1 63 63 ASN HB3 H 1 2.85 0.012 . 2 . . . . . 63 ASN HB . 26312 1 545 . 1 . 1 63 63 ASN HD21 H 1 6.993 0 . 2 . . . . . 63 ASN HD21 . 26312 1 546 . 1 . 1 63 63 ASN HD22 H 1 7.689 0.004 . 2 . . . . . 63 ASN HD22 . 26312 1 547 . 1 . 1 63 63 ASN CA C 13 50.821 0.047 . 1 . . . . . 63 ASN CA . 26312 1 548 . 1 . 1 63 63 ASN CB C 13 38.855 0 . 1 . . . . . 63 ASN CB . 26312 1 549 . 1 . 1 63 63 ASN N N 15 129.611 0.067 . 1 . . . . . 63 ASN N . 26312 1 550 . 1 . 1 63 63 ASN ND2 N 15 113.216 0.022 . 1 . . . . . 63 ASN ND2 . 26312 1 551 . 1 . 1 64 64 PRO HB2 H 1 2.109 0.01 . 2 . . . . . 64 PRO HB2 . 26312 1 552 . 1 . 1 64 64 PRO HB3 H 1 2.192 0 . 2 . . . . . 64 PRO HB3 . 26312 1 553 . 1 . 1 64 64 PRO CA C 13 64.252 0 . 1 . . . . . 64 PRO CA . 26312 1 554 . 1 . 1 64 64 PRO CB C 13 32.088 0 . 1 . . . . . 64 PRO CB . 26312 1 555 . 1 . 1 65 65 ALA H H 1 7.8 0.011 . 1 . . . . . 65 ALA H . 26312 1 556 . 1 . 1 65 65 ALA HA H 1 4.553 0.021 . 1 . . . . . 65 ALA HA . 26312 1 557 . 1 . 1 65 65 ALA HB1 H 1 1.344 0.008 . 1 . . . . . 65 ALA HB . 26312 1 558 . 1 . 1 65 65 ALA HB2 H 1 1.344 0.008 . 1 . . . . . 65 ALA HB . 26312 1 559 . 1 . 1 65 65 ALA HB3 H 1 1.344 0.008 . 1 . . . . . 65 ALA HB . 26312 1 560 . 1 . 1 65 65 ALA C C 13 177.622 0 . 1 . . . . . 65 ALA C . 26312 1 561 . 1 . 1 65 65 ALA CA C 13 51.67 0.055 . 1 . . . . . 65 ALA CA . 26312 1 562 . 1 . 1 65 65 ALA CB C 13 17.645 0.022 . 1 . . . . . 65 ALA CB . 26312 1 563 . 1 . 1 65 65 ALA N N 15 121.565 0.047 . 1 . . . . . 65 ALA N . 26312 1 564 . 1 . 1 66 66 GLN H H 1 8.068 0.003 . 1 . . . . . 66 GLN H . 26312 1 565 . 1 . 1 66 66 GLN HA H 1 4.632 0.005 . 1 . . . . . 66 GLN HA . 26312 1 566 . 1 . 1 66 66 GLN HB2 H 1 2.062 0.019 . 2 . . . . . 66 GLN HB . 26312 1 567 . 1 . 1 66 66 GLN HB3 H 1 2.062 0.019 . 2 . . . . . 66 GLN HB . 26312 1 568 . 1 . 1 66 66 GLN HE21 H 1 6.987 0 . 2 . . . . . 66 GLN HE21 . 26312 1 569 . 1 . 1 66 66 GLN HE22 H 1 8.159 0.018 . 2 . . . . . 66 GLN HE22 . 26312 1 570 . 1 . 1 66 66 GLN C C 13 175.02 0 . 1 . . . . . 66 GLN C . 26312 1 571 . 1 . 1 66 66 GLN CA C 13 55.152 0.055 . 1 . . . . . 66 GLN CA . 26312 1 572 . 1 . 1 66 66 GLN CB C 13 32.017 0.083 . 1 . . . . . 66 GLN CB . 26312 1 573 . 1 . 1 66 66 GLN N N 15 118.549 0.034 . 1 . . . . . 66 GLN N . 26312 1 574 . 1 . 1 66 66 GLN NE2 N 15 113.97 0.013 . 1 . . . . . 66 GLN NE2 . 26312 1 575 . 1 . 1 67 67 THR H H 1 8.582 0.006 . 1 . . . . . 67 THR H . 26312 1 576 . 1 . 1 67 67 THR HA H 1 4.705 0.017 . 1 . . . . . 67 THR HA . 26312 1 577 . 1 . 1 67 67 THR HB H 1 4.875 0.022 . 1 . . . . . 67 THR HB . 26312 1 578 . 1 . 1 67 67 THR HG21 H 1 1.279 0.011 . 1 . . . . . 67 THR HG2 . 26312 1 579 . 1 . 1 67 67 THR HG22 H 1 1.279 0.011 . 1 . . . . . 67 THR HG2 . 26312 1 580 . 1 . 1 67 67 THR HG23 H 1 1.279 0.011 . 1 . . . . . 67 THR HG2 . 26312 1 581 . 1 . 1 67 67 THR CA C 13 61.167 0.119 . 1 . . . . . 67 THR CA . 26312 1 582 . 1 . 1 67 67 THR CB C 13 70.554 0 . 1 . . . . . 67 THR CB . 26312 1 583 . 1 . 1 67 67 THR N N 15 110.823 0.032 . 1 . . . . . 67 THR N . 26312 1 584 . 1 . 1 68 68 ALA H H 1 9.458 0.009 . 1 . . . . . 68 ALA H . 26312 1 585 . 1 . 1 68 68 ALA HA H 1 4.343 0.004 . 1 . . . . . 68 ALA HA . 26312 1 586 . 1 . 1 68 68 ALA HB1 H 1 1.599 0.006 . 1 . . . . . 68 ALA HB . 26312 1 587 . 1 . 1 68 68 ALA HB2 H 1 1.599 0.006 . 1 . . . . . 68 ALA HB . 26312 1 588 . 1 . 1 68 68 ALA HB3 H 1 1.599 0.006 . 1 . . . . . 68 ALA HB . 26312 1 589 . 1 . 1 68 68 ALA C C 13 179.77 0 . 1 . . . . . 68 ALA C . 26312 1 590 . 1 . 1 68 68 ALA CA C 13 55.818 0.069 . 1 . . . . . 68 ALA CA . 26312 1 591 . 1 . 1 68 68 ALA CB C 13 19.333 0.01 . 1 . . . . . 68 ALA CB . 26312 1 592 . 1 . 1 68 68 ALA N N 15 123.668 0.033 . 1 . . . . . 68 ALA N . 26312 1 593 . 1 . 1 69 69 GLY H H 1 9.777 0.009 . 1 . . . . . 69 GLY H . 26312 1 594 . 1 . 1 69 69 GLY HA2 H 1 4.139 0.015 . 2 . . . . . 69 GLY HA2 . 26312 1 595 . 1 . 1 69 69 GLY HA3 H 1 3.817 0.018 . 2 . . . . . 69 GLY HA3 . 26312 1 596 . 1 . 1 69 69 GLY C C 13 175.571 0 . 1 . . . . . 69 GLY C . 26312 1 597 . 1 . 1 69 69 GLY CA C 13 47.635 0.041 . 1 . . . . . 69 GLY CA . 26312 1 598 . 1 . 1 69 69 GLY N N 15 105.87 0.064 . 1 . . . . . 69 GLY N . 26312 1 599 . 1 . 1 70 70 ASN H H 1 7.812 0.008 . 1 . . . . . 70 ASN H . 26312 1 600 . 1 . 1 70 70 ASN HA H 1 4.56 0.024 . 1 . . . . . 70 ASN HA . 26312 1 601 . 1 . 1 70 70 ASN HB2 H 1 2.866 0.017 . 2 . . . . . 70 ASN HB . 26312 1 602 . 1 . 1 70 70 ASN HB3 H 1 2.866 0.017 . 2 . . . . . 70 ASN HB . 26312 1 603 . 1 . 1 70 70 ASN HD21 H 1 6.982 0.002 . 2 . . . . . 70 ASN HD21 . 26312 1 604 . 1 . 1 70 70 ASN HD22 H 1 7.809 0.009 . 2 . . . . . 70 ASN HD22 . 26312 1 605 . 1 . 1 70 70 ASN C C 13 178.138 0 . 1 . . . . . 70 ASN C . 26312 1 606 . 1 . 1 70 70 ASN CA C 13 56.382 0.058 . 1 . . . . . 70 ASN CA . 26312 1 607 . 1 . 1 70 70 ASN CB C 13 38.88 0.049 . 1 . . . . . 70 ASN CB . 26312 1 608 . 1 . 1 70 70 ASN N N 15 121.621 0.066 . 1 . . . . . 70 ASN N . 26312 1 609 . 1 . 1 70 70 ASN ND2 N 15 113.984 0.227 . 1 . . . . . 70 ASN ND2 . 26312 1 610 . 1 . 1 71 71 VAL H H 1 8.125 0.003 . 1 . . . . . 71 VAL H . 26312 1 611 . 1 . 1 71 71 VAL HA H 1 3.494 0.029 . 1 . . . . . 71 VAL HA . 26312 1 612 . 1 . 1 71 71 VAL HB H 1 2.13 0.007 . 1 . . . . . 71 VAL HB . 26312 1 613 . 1 . 1 71 71 VAL HG11 H 1 0.628 0 . 2 . . . . . 71 VAL HG1 . 26312 1 614 . 1 . 1 71 71 VAL HG12 H 1 0.628 0 . 2 . . . . . 71 VAL HG1 . 26312 1 615 . 1 . 1 71 71 VAL HG13 H 1 0.628 0 . 2 . . . . . 71 VAL HG1 . 26312 1 616 . 1 . 1 71 71 VAL HG21 H 1 0.425 0.024 . 2 . . . . . 71 VAL HG2 . 26312 1 617 . 1 . 1 71 71 VAL HG22 H 1 0.425 0.024 . 2 . . . . . 71 VAL HG2 . 26312 1 618 . 1 . 1 71 71 VAL HG23 H 1 0.425 0.024 . 2 . . . . . 71 VAL HG2 . 26312 1 619 . 1 . 1 71 71 VAL C C 13 177.567 0 . 1 . . . . . 71 VAL C . 26312 1 620 . 1 . 1 71 71 VAL CA C 13 67.538 0.098 . 1 . . . . . 71 VAL CA . 26312 1 621 . 1 . 1 71 71 VAL CB C 13 31.265 0.115 . 1 . . . . . 71 VAL CB . 26312 1 622 . 1 . 1 71 71 VAL N N 15 121.231 0.048 . 1 . . . . . 71 VAL N . 26312 1 623 . 1 . 1 72 72 PHE H H 1 8.848 0.013 . 1 . . . . . 72 PHE H . 26312 1 624 . 1 . 1 72 72 PHE HA H 1 4.486 0.012 . 1 . . . . . 72 PHE HA . 26312 1 625 . 1 . 1 72 72 PHE HB2 H 1 3.106 0.014 . 2 . . . . . 72 PHE HB . 26312 1 626 . 1 . 1 72 72 PHE HB3 H 1 3.106 0.014 . 2 . . . . . 72 PHE HB . 26312 1 627 . 1 . 1 72 72 PHE C C 13 178.608 0 . 1 . . . . . 72 PHE C . 26312 1 628 . 1 . 1 72 72 PHE CA C 13 61.163 0.073 . 1 . . . . . 72 PHE CA . 26312 1 629 . 1 . 1 72 72 PHE CB C 13 39.724 0.029 . 1 . . . . . 72 PHE CB . 26312 1 630 . 1 . 1 72 72 PHE N N 15 120.966 0.07 . 1 . . . . . 72 PHE N . 26312 1 631 . 1 . 1 73 73 LEU H H 1 8.132 0.012 . 1 . . . . . 73 LEU H . 26312 1 632 . 1 . 1 73 73 LEU HA H 1 3.852 0.001 . 1 . . . . . 73 LEU HA . 26312 1 633 . 1 . 1 73 73 LEU HB2 H 1 1.606 0.008 . 2 . . . . . 73 LEU HB2 . 26312 1 634 . 1 . 1 73 73 LEU HB3 H 1 1.844 0.008 . 2 . . . . . 73 LEU HB3 . 26312 1 635 . 1 . 1 73 73 LEU HD11 H 1 0.908 0.004 . 2 . . . . . 73 LEU HD . 26312 1 636 . 1 . 1 73 73 LEU HD12 H 1 0.908 0.004 . 2 . . . . . 73 LEU HD . 26312 1 637 . 1 . 1 73 73 LEU HD13 H 1 0.908 0.004 . 2 . . . . . 73 LEU HD . 26312 1 638 . 1 . 1 73 73 LEU HD21 H 1 0.908 0.004 . 2 . . . . . 73 LEU HD . 26312 1 639 . 1 . 1 73 73 LEU HD22 H 1 0.908 0.004 . 2 . . . . . 73 LEU HD . 26312 1 640 . 1 . 1 73 73 LEU HD23 H 1 0.908 0.004 . 2 . . . . . 73 LEU HD . 26312 1 641 . 1 . 1 73 73 LEU C C 13 178.51 0 . 1 . . . . . 73 LEU C . 26312 1 642 . 1 . 1 73 73 LEU CA C 13 57.766 0.115 . 1 . . . . . 73 LEU CA . 26312 1 643 . 1 . 1 73 73 LEU CB C 13 42.34 0.029 . 1 . . . . . 73 LEU CB . 26312 1 644 . 1 . 1 73 73 LEU N N 15 119.823 0.068 . 1 . . . . . 73 LEU N . 26312 1 645 . 1 . 1 74 74 LYS H H 1 7.561 0.004 . 1 . . . . . 74 LYS H . 26312 1 646 . 1 . 1 74 74 LYS HA H 1 3.946 0.013 . 1 . . . . . 74 LYS HA . 26312 1 647 . 1 . 1 74 74 LYS HB2 H 1 1.404 0.019 . 2 . . . . . 74 LYS HB2 . 26312 1 648 . 1 . 1 74 74 LYS HB3 H 1 1.062 0.029 . 2 . . . . . 74 LYS HB3 . 26312 1 649 . 1 . 1 74 74 LYS C C 13 178.021 0 . 1 . . . . . 74 LYS C . 26312 1 650 . 1 . 1 74 74 LYS CA C 13 58.12 0.076 . 1 . . . . . 74 LYS CA . 26312 1 651 . 1 . 1 74 74 LYS CB C 13 33.542 0.037 . 1 . . . . . 74 LYS CB . 26312 1 652 . 1 . 1 74 74 LYS N N 15 116.657 0.037 . 1 . . . . . 74 LYS N . 26312 1 653 . 1 . 1 75 75 HIS H H 1 8.674 0.005 . 1 . . . . . 75 HIS H . 26312 1 654 . 1 . 1 75 75 HIS HA H 1 4.861 0.01 . 1 . . . . . 75 HIS HA . 26312 1 655 . 1 . 1 75 75 HIS HB2 H 1 2.922 0 . 2 . . . . . 75 HIS HB2 . 26312 1 656 . 1 . 1 75 75 HIS HB3 H 1 3.1 0 . 2 . . . . . 75 HIS HB3 . 26312 1 657 . 1 . 1 75 75 HIS HD2 H 1 6.685 0 . 1 . . . . . 75 HIS HD2 . 26312 1 658 . 1 . 1 75 75 HIS C C 13 175.712 0 . 1 . . . . . 75 HIS C . 26312 1 659 . 1 . 1 75 75 HIS CA C 13 55.646 0.079 . 1 . . . . . 75 HIS CA . 26312 1 660 . 1 . 1 75 75 HIS CB C 13 31.213 0.011 . 1 . . . . . 75 HIS CB . 26312 1 661 . 1 . 1 75 75 HIS N N 15 114.984 0.051 . 1 . . . . . 75 HIS N . 26312 1 662 . 1 . 1 76 76 GLY H H 1 8.084 0.008 . 1 . . . . . 76 GLY H . 26312 1 663 . 1 . 1 76 76 GLY HA2 H 1 4.147 0.011 . 2 . . . . . 76 GLY HA2 . 26312 1 664 . 1 . 1 76 76 GLY HA3 H 1 3.316 0.012 . 2 . . . . . 76 GLY HA3 . 26312 1 665 . 1 . 1 76 76 GLY C C 13 171.473 0 . 1 . . . . . 76 GLY C . 26312 1 666 . 1 . 1 76 76 GLY CA C 13 44.787 0.014 . 1 . . . . . 76 GLY CA . 26312 1 667 . 1 . 1 76 76 GLY N N 15 111.933 0.145 . 1 . . . . . 76 GLY N . 26312 1 668 . 1 . 1 77 77 SER H H 1 7.868 0.007 . 1 . . . . . 77 SER H . 26312 1 669 . 1 . 1 77 77 SER HA H 1 4.81 0.006 . 1 . . . . . 77 SER HA . 26312 1 670 . 1 . 1 77 77 SER HB2 H 1 3.894 0.01 . 2 . . . . . 77 SER HB2 . 26312 1 671 . 1 . 1 77 77 SER HB3 H 1 4.213 0.02 . 2 . . . . . 77 SER HB3 . 26312 1 672 . 1 . 1 77 77 SER C C 13 175.669 0 . 1 . . . . . 77 SER C . 26312 1 673 . 1 . 1 77 77 SER CA C 13 59.781 0.057 . 1 . . . . . 77 SER CA . 26312 1 674 . 1 . 1 77 77 SER CB C 13 66.179 0.028 . 1 . . . . . 77 SER CB . 26312 1 675 . 1 . 1 77 77 SER N N 15 108.303 0.056 . 1 . . . . . 77 SER N . 26312 1 676 . 1 . 1 78 78 GLU H H 1 8.274 0.005 . 1 . . . . . 78 GLU H . 26312 1 677 . 1 . 1 78 78 GLU HA H 1 4.997 0.009 . 1 . . . . . 78 GLU HA . 26312 1 678 . 1 . 1 78 78 GLU HB3 H 1 2.106 0.025 . 2 . . . . . 78 GLU HB3 . 26312 1 679 . 1 . 1 78 78 GLU HG2 H 1 2.339 0 . 2 . . . . . 78 GLU HG . 26312 1 680 . 1 . 1 78 78 GLU HG3 H 1 2.339 0 . 2 . . . . . 78 GLU HG . 26312 1 681 . 1 . 1 78 78 GLU C C 13 175.04 0 . 1 . . . . . 78 GLU C . 26312 1 682 . 1 . 1 78 78 GLU CA C 13 56.91 0.048 . 1 . . . . . 78 GLU CA . 26312 1 683 . 1 . 1 78 78 GLU CB C 13 29.834 0.013 . 1 . . . . . 78 GLU CB . 26312 1 684 . 1 . 1 78 78 GLU N N 15 121.894 0.061 . 1 . . . . . 78 GLU N . 26312 1 685 . 1 . 1 79 79 LEU H H 1 8.747 0.006 . 1 . . . . . 79 LEU H . 26312 1 686 . 1 . 1 79 79 LEU HA H 1 4.983 0.008 . 1 . . . . . 79 LEU HA . 26312 1 687 . 1 . 1 79 79 LEU HB2 H 1 1.491 0.013 . 2 . . . . . 79 LEU HB . 26312 1 688 . 1 . 1 79 79 LEU HB3 H 1 1.491 0.013 . 2 . . . . . 79 LEU HB . 26312 1 689 . 1 . 1 79 79 LEU HD21 H 1 0.629 0.006 . 2 . . . . . 79 LEU HD2 . 26312 1 690 . 1 . 1 79 79 LEU HD22 H 1 0.629 0.006 . 2 . . . . . 79 LEU HD2 . 26312 1 691 . 1 . 1 79 79 LEU HD23 H 1 0.629 0.006 . 2 . . . . . 79 LEU HD2 . 26312 1 692 . 1 . 1 79 79 LEU HG H 1 1.593 0 . 1 . . . . . 79 LEU HG . 26312 1 693 . 1 . 1 79 79 LEU C C 13 175.941 0 . 1 . . . . . 79 LEU C . 26312 1 694 . 1 . 1 79 79 LEU CA C 13 52.899 0.063 . 1 . . . . . 79 LEU CA . 26312 1 695 . 1 . 1 79 79 LEU CB C 13 46.407 0.052 . 1 . . . . . 79 LEU CB . 26312 1 696 . 1 . 1 79 79 LEU N N 15 124.379 0.048 . 1 . . . . . 79 LEU N . 26312 1 697 . 1 . 1 80 80 ARG H H 1 8.82 0.004 . 1 . . . . . 80 ARG H . 26312 1 698 . 1 . 1 80 80 ARG HA H 1 5.325 0.002 . 1 . . . . . 80 ARG HA . 26312 1 699 . 1 . 1 80 80 ARG HB2 H 1 1.47 0 . 2 . . . . . 80 ARG HB2 . 26312 1 700 . 1 . 1 80 80 ARG HB3 H 1 1.636 0 . 2 . . . . . 80 ARG HB3 . 26312 1 701 . 1 . 1 80 80 ARG C C 13 174.494 0 . 1 . . . . . 80 ARG C . 26312 1 702 . 1 . 1 80 80 ARG CA C 13 54.477 0.05 . 1 . . . . . 80 ARG CA . 26312 1 703 . 1 . 1 80 80 ARG CB C 13 33.572 0.028 . 1 . . . . . 80 ARG CB . 26312 1 704 . 1 . 1 80 80 ARG N N 15 119.595 0.033 . 1 . . . . . 80 ARG N . 26312 1 705 . 1 . 1 81 81 ILE H H 1 8.547 0.018 . 1 . . . . . 81 ILE H . 26312 1 706 . 1 . 1 81 81 ILE HA H 1 5.18 0.009 . 1 . . . . . 81 ILE HA . 26312 1 707 . 1 . 1 81 81 ILE HB H 1 1.307 0.003 . 1 . . . . . 81 ILE HB . 26312 1 708 . 1 . 1 81 81 ILE HG12 H 1 1.448 0.007 . 2 . . . . . 81 ILE HG1 . 26312 1 709 . 1 . 1 81 81 ILE HG13 H 1 1.448 0.007 . 2 . . . . . 81 ILE HG1 . 26312 1 710 . 1 . 1 81 81 ILE HG21 H 1 0.623 0.011 . 1 . . . . . 81 ILE HG2 . 26312 1 711 . 1 . 1 81 81 ILE HG22 H 1 0.623 0.011 . 1 . . . . . 81 ILE HG2 . 26312 1 712 . 1 . 1 81 81 ILE HG23 H 1 0.623 0.011 . 1 . . . . . 81 ILE HG2 . 26312 1 713 . 1 . 1 81 81 ILE C C 13 174.226 0 . 1 . . . . . 81 ILE C . 26312 1 714 . 1 . 1 81 81 ILE CA C 13 58.735 0.035 . 1 . . . . . 81 ILE CA . 26312 1 715 . 1 . 1 81 81 ILE CB C 13 40.398 0.059 . 1 . . . . . 81 ILE CB . 26312 1 716 . 1 . 1 81 81 ILE N N 15 120.708 0.096 . 1 . . . . . 81 ILE N . 26312 1 717 . 1 . 1 82 82 ILE H H 1 8.914 0.007 . 1 . . . . . 82 ILE H . 26312 1 718 . 1 . 1 82 82 ILE HA H 1 4.787 0 . 1 . . . . . 82 ILE HA . 26312 1 719 . 1 . 1 82 82 ILE HB H 1 1.778 0 . 1 . . . . . 82 ILE HB . 26312 1 720 . 1 . 1 82 82 ILE HD11 H 1 0.698 0 . 1 . . . . . 82 ILE HD1 . 26312 1 721 . 1 . 1 82 82 ILE HD12 H 1 0.698 0 . 1 . . . . . 82 ILE HD1 . 26312 1 722 . 1 . 1 82 82 ILE HD13 H 1 0.698 0 . 1 . . . . . 82 ILE HD1 . 26312 1 723 . 1 . 1 82 82 ILE HG21 H 1 0.769 0.011 . 1 . . . . . 82 ILE HG2 . 26312 1 724 . 1 . 1 82 82 ILE HG22 H 1 0.769 0.011 . 1 . . . . . 82 ILE HG2 . 26312 1 725 . 1 . 1 82 82 ILE HG23 H 1 0.769 0.011 . 1 . . . . . 82 ILE HG2 . 26312 1 726 . 1 . 1 82 82 ILE CA C 13 57.476 0.031 . 1 . . . . . 82 ILE CA . 26312 1 727 . 1 . 1 82 82 ILE N N 15 125.109 0.053 . 1 . . . . . 82 ILE N . 26312 1 728 . 1 . 1 83 83 PRO HA H 1 4.823 0.014 . 1 . . . . . 83 PRO HA . 26312 1 729 . 1 . 1 83 83 PRO HB2 H 1 2.233 0.001 . 2 . . . . . 83 PRO HB2 . 26312 1 730 . 1 . 1 83 83 PRO HB3 H 1 1.892 0.002 . 2 . . . . . 83 PRO HB3 . 26312 1 731 . 1 . 1 83 83 PRO HD2 H 1 3.539 0 . 2 . . . . . 83 PRO HD . 26312 1 732 . 1 . 1 83 83 PRO HD3 H 1 3.539 0 . 2 . . . . . 83 PRO HD . 26312 1 733 . 1 . 1 83 83 PRO C C 13 177.168 0 . 1 . . . . . 83 PRO C . 26312 1 734 . 1 . 1 83 83 PRO CA C 13 62.233 0.045 . 1 . . . . . 83 PRO CA . 26312 1 735 . 1 . 1 83 83 PRO CB C 13 31.813 0 . 1 . . . . . 83 PRO CB . 26312 1 736 . 1 . 1 84 84 ARG H H 1 8.303 0.004 . 1 . . . . . 84 ARG H . 26312 1 737 . 1 . 1 84 84 ARG HA H 1 4.106 0.007 . 1 . . . . . 84 ARG HA . 26312 1 738 . 1 . 1 84 84 ARG HB2 H 1 1.53 0.001 . 2 . . . . . 84 ARG HB2 . 26312 1 739 . 1 . 1 84 84 ARG C C 13 176.002 0 . 1 . . . . . 84 ARG C . 26312 1 740 . 1 . 1 84 84 ARG CA C 13 56.699 0.058 . 1 . . . . . 84 ARG CA . 26312 1 741 . 1 . 1 84 84 ARG CB C 13 31.084 0.12 . 1 . . . . . 84 ARG CB . 26312 1 742 . 1 . 1 84 84 ARG N N 15 123.046 0.065 . 1 . . . . . 84 ARG N . 26312 1 743 . 1 . 1 85 85 ASP H H 1 8.363 0.003 . 1 . . . . . 85 ASP H . 26312 1 744 . 1 . 1 85 85 ASP HA H 1 4.508 0.007 . 1 . . . . . 85 ASP HA . 26312 1 745 . 1 . 1 85 85 ASP HB2 H 1 2.592 0.015 . 2 . . . . . 85 ASP HB . 26312 1 746 . 1 . 1 85 85 ASP HB3 H 1 2.592 0.015 . 2 . . . . . 85 ASP HB . 26312 1 747 . 1 . 1 85 85 ASP C C 13 175.923 0 . 1 . . . . . 85 ASP C . 26312 1 748 . 1 . 1 85 85 ASP CA C 13 54.376 0.067 . 1 . . . . . 85 ASP CA . 26312 1 749 . 1 . 1 85 85 ASP CB C 13 41.027 0.043 . 1 . . . . . 85 ASP CB . 26312 1 750 . 1 . 1 85 85 ASP N N 15 121.091 0.065 . 1 . . . . . 85 ASP N . 26312 1 751 . 1 . 1 86 86 ARG H H 1 8.057 0.012 . 1 . . . . . 86 ARG H . 26312 1 752 . 1 . 1 86 86 ARG HA H 1 4.327 0.011 . 1 . . . . . 86 ARG HA . 26312 1 753 . 1 . 1 86 86 ARG HB2 H 1 1.712 0 . 2 . . . . . 86 ARG HB2 . 26312 1 754 . 1 . 1 86 86 ARG HD2 H 1 3.111 0 . 2 . . . . . 86 ARG HD . 26312 1 755 . 1 . 1 86 86 ARG HD3 H 1 3.111 0 . 2 . . . . . 86 ARG HD . 26312 1 756 . 1 . 1 86 86 ARG HG2 H 1 1.563 0.009 . 2 . . . . . 86 ARG HG . 26312 1 757 . 1 . 1 86 86 ARG HG3 H 1 1.563 0.009 . 2 . . . . . 86 ARG HG . 26312 1 758 . 1 . 1 86 86 ARG C C 13 175.905 0 . 1 . . . . . 86 ARG C . 26312 1 759 . 1 . 1 86 86 ARG CA C 13 55.76 0.038 . 1 . . . . . 86 ARG CA . 26312 1 760 . 1 . 1 86 86 ARG CB C 13 30.813 0.015 . 1 . . . . . 86 ARG CB . 26312 1 761 . 1 . 1 86 86 ARG N N 15 120.537 0.065 . 1 . . . . . 86 ARG N . 26312 1 762 . 1 . 1 87 87 VAL H H 1 8.043 0.003 . 1 . . . . . 87 VAL H . 26312 1 763 . 1 . 1 87 87 VAL HA H 1 4.057 0.006 . 1 . . . . . 87 VAL HA . 26312 1 764 . 1 . 1 87 87 VAL HB H 1 2.039 0.02 . 1 . . . . . 87 VAL HB . 26312 1 765 . 1 . 1 87 87 VAL HG11 H 1 0.88 0.006 . 2 . . . . . 87 VAL HG . 26312 1 766 . 1 . 1 87 87 VAL HG12 H 1 0.88 0.006 . 2 . . . . . 87 VAL HG . 26312 1 767 . 1 . 1 87 87 VAL HG13 H 1 0.88 0.006 . 2 . . . . . 87 VAL HG . 26312 1 768 . 1 . 1 87 87 VAL HG21 H 1 0.88 0.006 . 2 . . . . . 87 VAL HG . 26312 1 769 . 1 . 1 87 87 VAL HG22 H 1 0.88 0.006 . 2 . . . . . 87 VAL HG . 26312 1 770 . 1 . 1 87 87 VAL HG23 H 1 0.88 0.006 . 2 . . . . . 87 VAL HG . 26312 1 771 . 1 . 1 87 87 VAL C C 13 175.607 0 . 1 . . . . . 87 VAL C . 26312 1 772 . 1 . 1 87 87 VAL CA C 13 62.433 0.083 . 1 . . . . . 87 VAL CA . 26312 1 773 . 1 . 1 87 87 VAL CB C 13 32.71 0.014 . 1 . . . . . 87 VAL CB . 26312 1 774 . 1 . 1 87 87 VAL N N 15 122.139 0.049 . 1 . . . . . 87 VAL N . 26312 1 775 . 1 . 1 88 88 GLY H H 1 7.986 0.003 . 1 . . . . . 88 GLY H . 26312 1 776 . 1 . 1 88 88 GLY HA2 H 1 3.696 0.018 . 1 . . . . . 88 GLY HA . 26312 1 777 . 1 . 1 88 88 GLY HA3 H 1 3.696 0.018 . 1 . . . . . 88 GLY HA . 26312 1 778 . 1 . 1 88 88 GLY CA C 13 46.081 0.052 . 1 . . . . . 88 GLY CA . 26312 1 779 . 1 . 1 88 88 GLY N N 15 119.436 0.035 . 1 . . . . . 88 GLY N . 26312 1 stop_ save_