data_26991 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26991 _Entry.Title ; Full atom 1H, 13C, and 15N Chemical Shift Assignments for Mouse CCL5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-06 _Entry.Accession_date 2017-01-06 _Entry.Last_release_date 2017-01-06 _Entry.Original_release_date 2017-01-06 _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 . 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 Siou-Pei Chen . . . . 26991 2 Yi-Chen Chen . . . . 26991 3 Yi-Zong Lee . . . . 26991 4 Shih-Che Sue . . . . 26991 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26991 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26991 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 288 26991 '15N chemical shifts' 75 26991 '1H chemical shifts' 410 26991 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 . . 2018-02-13 . original BMRB . 26991 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26991 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The structure commonality between human and mouse CCL5 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Siou-Pei Chen . . . . 26991 1 2 Shih-Che Sue . . . . 26991 1 3 Yi-Zong Lee . . . . 26991 1 4 Yi-Chen Chen . . . . 26991 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26991 _Assembly.ID 1 _Assembly.Name 'Mouse CCL5 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8007 _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 'Mouse CCL5, subunit 1' 1 $Chemokine_CCL5 A . yes native no no . . . 26991 1 2 'Mouse CCL5, subunit 2' 1 $Chemokine_CCL5 B . no native no no . . . 26991 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 11 11 SG . 1 . 1 CYS 35 35 SG . . . . . . . . . . . . 26991 1 2 disulfide single . 1 . 1 CYS 12 12 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . . . 26991 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Chemokine_CCL5 _Entity.Sf_category entity _Entity.Sf_framecode Chemokine_CCL5 _Entity.Entry_ID 26991 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Chemokine_CCL5 _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 ; MSPYGSDTTPCCFAYLSLAL PRAHVKEYFYTSSKCSNLAV VFVTRRNRQVCANPEKKWVQ EYINYLEMS ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 26991 1 2 . SER . 26991 1 3 . PRO . 26991 1 4 . TYR . 26991 1 5 . GLY . 26991 1 6 . SER . 26991 1 7 . ASP . 26991 1 8 . THR . 26991 1 9 . THR . 26991 1 10 . PRO . 26991 1 11 . CYS . 26991 1 12 . CYS . 26991 1 13 . PHE . 26991 1 14 . ALA . 26991 1 15 . TYR . 26991 1 16 . LEU . 26991 1 17 . SER . 26991 1 18 . LEU . 26991 1 19 . ALA . 26991 1 20 . LEU . 26991 1 21 . PRO . 26991 1 22 . ARG . 26991 1 23 . ALA . 26991 1 24 . HIS . 26991 1 25 . VAL . 26991 1 26 . LYS . 26991 1 27 . GLU . 26991 1 28 . TYR . 26991 1 29 . PHE . 26991 1 30 . TYR . 26991 1 31 . THR . 26991 1 32 . SER . 26991 1 33 . SER . 26991 1 34 . LYS . 26991 1 35 . CYS . 26991 1 36 . SER . 26991 1 37 . ASN . 26991 1 38 . LEU . 26991 1 39 . ALA . 26991 1 40 . VAL . 26991 1 41 . VAL . 26991 1 42 . PHE . 26991 1 43 . VAL . 26991 1 44 . THR . 26991 1 45 . ARG . 26991 1 46 . ARG . 26991 1 47 . ASN . 26991 1 48 . ARG . 26991 1 49 . GLN . 26991 1 50 . VAL . 26991 1 51 . CYS . 26991 1 52 . ALA . 26991 1 53 . ASN . 26991 1 54 . PRO . 26991 1 55 . GLU . 26991 1 56 . LYS . 26991 1 57 . LYS . 26991 1 58 . TRP . 26991 1 59 . VAL . 26991 1 60 . GLN . 26991 1 61 . GLU . 26991 1 62 . TYR . 26991 1 63 . ILE . 26991 1 64 . ASN . 26991 1 65 . TYR . 26991 1 66 . LEU . 26991 1 67 . GLU . 26991 1 68 . MET . 26991 1 69 . SER . 26991 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26991 1 . SER 2 2 26991 1 . PRO 3 3 26991 1 . TYR 4 4 26991 1 . GLY 5 5 26991 1 . SER 6 6 26991 1 . ASP 7 7 26991 1 . THR 8 8 26991 1 . THR 9 9 26991 1 . PRO 10 10 26991 1 . CYS 11 11 26991 1 . CYS 12 12 26991 1 . PHE 13 13 26991 1 . ALA 14 14 26991 1 . TYR 15 15 26991 1 . LEU 16 16 26991 1 . SER 17 17 26991 1 . LEU 18 18 26991 1 . ALA 19 19 26991 1 . LEU 20 20 26991 1 . PRO 21 21 26991 1 . ARG 22 22 26991 1 . ALA 23 23 26991 1 . HIS 24 24 26991 1 . VAL 25 25 26991 1 . LYS 26 26 26991 1 . GLU 27 27 26991 1 . TYR 28 28 26991 1 . PHE 29 29 26991 1 . TYR 30 30 26991 1 . THR 31 31 26991 1 . SER 32 32 26991 1 . SER 33 33 26991 1 . LYS 34 34 26991 1 . CYS 35 35 26991 1 . SER 36 36 26991 1 . ASN 37 37 26991 1 . LEU 38 38 26991 1 . ALA 39 39 26991 1 . VAL 40 40 26991 1 . VAL 41 41 26991 1 . PHE 42 42 26991 1 . VAL 43 43 26991 1 . THR 44 44 26991 1 . ARG 45 45 26991 1 . ARG 46 46 26991 1 . ASN 47 47 26991 1 . ARG 48 48 26991 1 . GLN 49 49 26991 1 . VAL 50 50 26991 1 . CYS 51 51 26991 1 . ALA 52 52 26991 1 . ASN 53 53 26991 1 . PRO 54 54 26991 1 . GLU 55 55 26991 1 . LYS 56 56 26991 1 . LYS 57 57 26991 1 . TRP 58 58 26991 1 . VAL 59 59 26991 1 . GLN 60 60 26991 1 . GLU 61 61 26991 1 . TYR 62 62 26991 1 . ILE 63 63 26991 1 . ASN 64 64 26991 1 . TYR 65 65 26991 1 . LEU 66 66 26991 1 . GLU 67 67 26991 1 . MET 68 68 26991 1 . SER 69 69 26991 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 26991 _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 $Chemokine_CCL5 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 26991 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 26991 _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 $Chemokine_CCL5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET43.1a . . . 26991 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26991 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM Sodium acetate, 150mM NaCl, pH3.2' _Sample.Aggregate_sample_number . _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 'Chemokine CCL5' '[U-99% 13C; U-99% 15N]' . . 1 $Chemokine_CCL5 . . 0.5 . . mM . . . . 26991 1 2 'Sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 26991 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 26991 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26991 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM Sodium acetate, 150mM NaCl, pH3.2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Chemokine CCL5' '[U-99% 13C; U-99% 15N]' . . 1 $Chemokine_CCL5 . . 0.5 . . mM . . . . 26991 2 2 'Sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 26991 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 26991 2 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 26991 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25mM Sodium acetate, 150mM NaCl, pH3.2' 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' 150 . mM 26991 1 pH 3.2 . pH 26991 1 pressure 1 . Pa 26991 1 temperature 298 . K 26991 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26991 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26991 1 Goddard . . 26991 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26991 1 collection 26991 1 stop_ save_ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 26991 _Software.ID 2 _Software.Type . _Software.Name NMRpipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26991 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26991 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_850MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 850MHz _NMR_spectrometer.Entry_ID 26991 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 26991 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26991 _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 850MHz Bruker Avance . 850 . . . 26991 1 2 600MHz Bruker Avance . 600 . . . 26991 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 26991 _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 . . . . . . . . . . . . . . . . . . . . . 26991 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26991 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26991 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26991 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26991 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26991 1 7 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26991 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26991 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26991 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26991 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26991 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 26991 _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 . . . . . 26991 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26991 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26991 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 26991 _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' . . . 26991 1 2 '3D HNCO' . . . 26991 1 3 '3D HNCA' . . . 26991 1 4 '3D HNCACB' . . . 26991 1 7 '3D HCCH-COSY' . . . 26991 1 8 '3D H(CCO)NH' . . . 26991 1 9 '3D C(CO)NH' . . . 26991 1 10 '3D HBHA(CO)NH' . . . 26991 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 $SPARKY . . 26991 1 2 $NMRpipe . . 26991 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 MET HA H 1 4.198 0.002 . 1 . 5 . . . 1 MET HA . 26991 1 2 . 1 1 1 1 MET HB2 H 1 2.178 0.002 . 2 . 4 . . . 1 MET HB2 . 26991 1 3 . 1 1 1 1 MET HG2 H 1 2.622 0.003 . 2 . 6 . . . 1 MET HG2 . 26991 1 4 . 1 1 1 1 MET C C 13 172.2 0 . 1 . 1 . . . 1 MET C . 26991 1 5 . 1 1 1 1 MET CA C 13 54.994 0.073 . 1 . 4 . . . 1 MET CA . 26991 1 6 . 1 1 1 1 MET CB C 13 32.736 0.121 . 1 . 3 . . . 1 MET CB . 26991 1 7 . 1 1 1 1 MET CG C 13 30.779 0.019 . 1 . 4 . . . 1 MET CG . 26991 1 8 . 1 1 2 2 SER H H 1 8.817 0.002 . 1 . 13 . . . 2 SER H . 26991 1 9 . 1 1 2 2 SER HA H 1 4.846 0.001 . 1 . 4 . . . 2 SER HA . 26991 1 10 . 1 1 2 2 SER HB2 H 1 3.888 0.005 . 2 . 2 . . . 2 SER HB2 . 26991 1 11 . 1 1 2 2 SER CA C 13 56.397 0.037 . 1 . 2 . . . 2 SER CA . 26991 1 12 . 1 1 2 2 SER CB C 13 63.447 0.105 . 1 . 2 . . . 2 SER CB . 26991 1 13 . 1 1 2 2 SER N N 15 120.607 0.014 . 1 . 13 . . . 2 SER N . 26991 1 14 . 1 1 3 3 PRO HA H 1 4.411 0.003 . 1 . 18 . . . 3 PRO HA . 26991 1 15 . 1 1 3 3 PRO HB2 H 1 2.195 0.003 . 1 . 12 . . . 3 PRO HB2 . 26991 1 16 . 1 1 3 3 PRO HB3 H 1 1.68 0.004 . 1 . 11 . . . 3 PRO HB3 . 26991 1 17 . 1 1 3 3 PRO HG2 H 1 1.952 0.005 . 1 . 13 . . . 3 PRO HG2 . 26991 1 18 . 1 1 3 3 PRO HG3 H 1 1.777 0.005 . 1 . 11 . . . 3 PRO HG3 . 26991 1 19 . 1 1 3 3 PRO HD2 H 1 3.812 0.004 . 1 . 16 . . . 3 PRO HD2 . 26991 1 20 . 1 1 3 3 PRO HD3 H 1 3.692 0.003 . 1 . 20 . . . 3 PRO HD3 . 26991 1 21 . 1 1 3 3 PRO C C 13 176.703 0 . 1 . 1 . . . 3 PRO C . 26991 1 22 . 1 1 3 3 PRO CA C 13 63.528 0.064 . 1 . 12 . . . 3 PRO CA . 26991 1 23 . 1 1 3 3 PRO CB C 13 31.845 0.076 . 1 . 9 . . . 3 PRO CB . 26991 1 24 . 1 1 3 3 PRO CG C 13 27.009 0.095 . 1 . 11 . . . 3 PRO CG . 26991 1 25 . 1 1 3 3 PRO CD C 13 50.895 0.069 . 1 . 25 . . . 3 PRO CD . 26991 1 26 . 1 1 4 4 TYR H H 1 7.995 0.003 . 1 . 17 . . . 4 TYR H . 26991 1 27 . 1 1 4 4 TYR HA H 1 4.615 0.002 . 1 . 8 . . . 4 TYR HA . 26991 1 28 . 1 1 4 4 TYR HB2 H 1 3.179 0.003 . 1 . 5 . . . 4 TYR HB2 . 26991 1 29 . 1 1 4 4 TYR HB3 H 1 2.916 0.003 . 1 . 5 . . . 4 TYR HB3 . 26991 1 30 . 1 1 4 4 TYR HD2 H 1 6.959 0.008 . 1 . 11 . . . 4 TYR HD2 . 26991 1 31 . 1 1 4 4 TYR HE1 H 1 6.753 0 . 1 . 1 . . . 4 TYR HE1 . 26991 1 32 . 1 1 4 4 TYR HE2 H 1 6.756 0 . 1 . 1 . . . 4 TYR HE2 . 26991 1 33 . 1 1 4 4 TYR C C 13 176.818 0 . 1 . 1 . . . 4 TYR C . 26991 1 34 . 1 1 4 4 TYR CA C 13 57.696 0.064 . 1 . 7 . . . 4 TYR CA . 26991 1 35 . 1 1 4 4 TYR CB C 13 38.498 0.065 . 1 . 10 . . . 4 TYR CB . 26991 1 36 . 1 1 4 4 TYR CD1 C 13 132.918 0.057 . 1 . 2 . . . 4 TYR CD1 . 26991 1 37 . 1 1 4 4 TYR CD2 C 13 132.975 0 . 1 . 1 . . . 4 TYR CD2 . 26991 1 38 . 1 1 4 4 TYR CE1 C 13 117.554 0 . 3 . 1 . . . 4 TYR CE1 . 26991 1 39 . 1 1 4 4 TYR CE2 C 13 117.554 0 . 3 . 1 . . . 4 TYR CE2 . 26991 1 40 . 1 1 4 4 TYR N N 15 118.866 0.007 . 1 . 15 . . . 4 TYR N . 26991 1 41 . 1 1 5 5 GLY H H 1 8.224 0.002 . 1 . 13 . . . 5 GLY H . 26991 1 42 . 1 1 5 5 GLY HA2 H 1 3.986 0.002 . 2 . 3 . . . 5 GLY HA2 . 26991 1 43 . 1 1 5 5 GLY C C 13 174.076 0 . 1 . 1 . . . 5 GLY C . 26991 1 44 . 1 1 5 5 GLY CA C 13 46.004 0.115 . 1 . 6 . . . 5 GLY CA . 26991 1 45 . 1 1 5 5 GLY N N 15 109.657 0.022 . 1 . 13 . . . 5 GLY N . 26991 1 46 . 1 1 6 6 SER H H 1 8.164 0.002 . 1 . 12 . . . 6 SER H . 26991 1 47 . 1 1 6 6 SER HA H 1 4.552 0.008 . 1 . 13 . . . 6 SER HA . 26991 1 48 . 1 1 6 6 SER HB2 H 1 4.176 0.01 . 1 . 10 . . . 6 SER HB2 . 26991 1 49 . 1 1 6 6 SER HB3 H 1 3.814 0.003 . 1 . 8 . . . 6 SER HB3 . 26991 1 50 . 1 1 6 6 SER C C 13 173.641 0 . 1 . 1 . . . 6 SER C . 26991 1 51 . 1 1 6 6 SER CA C 13 57.951 0.022 . 1 . 11 . . . 6 SER CA . 26991 1 52 . 1 1 6 6 SER CB C 13 63.51 0.06 . 1 . 9 . . . 6 SER CB . 26991 1 53 . 1 1 6 6 SER N N 15 114.076 0.023 . 1 . 13 . . . 6 SER N . 26991 1 54 . 1 1 7 7 ASP H H 1 8.008 0.003 . 1 . 15 . . . 7 ASP H . 26991 1 55 . 1 1 7 7 ASP HA H 1 5.433 0.003 . 1 . 16 . . . 7 ASP HA . 26991 1 56 . 1 1 7 7 ASP HB2 H 1 3.114 0.005 . 1 . 5 . . . 7 ASP HB2 . 26991 1 57 . 1 1 7 7 ASP HB3 H 1 3.017 0.005 . 1 . 4 . . . 7 ASP HB3 . 26991 1 58 . 1 1 7 7 ASP C C 13 176.647 0 . 1 . 1 . . . 7 ASP C . 26991 1 59 . 1 1 7 7 ASP CA C 13 53.009 0.066 . 1 . 14 . . . 7 ASP CA . 26991 1 60 . 1 1 7 7 ASP CB C 13 39.96 0.06 . 1 . 9 . . . 7 ASP CB . 26991 1 61 . 1 1 7 7 ASP N N 15 119.926 0.043 . 1 . 11 . . . 7 ASP N . 26991 1 62 . 1 1 8 8 THR H H 1 7.808 0.006 . 1 . 13 . . . 8 THR H . 26991 1 63 . 1 1 8 8 THR HA H 1 4.264 0.009 . 1 . 10 . . . 8 THR HA . 26991 1 64 . 1 1 8 8 THR HB H 1 4.144 0.005 . 1 . 8 . . . 8 THR HB . 26991 1 65 . 1 1 8 8 THR HG21 H 1 1.171 0.005 . 1 . 8 . . . 8 THR HG21 . 26991 1 66 . 1 1 8 8 THR HG22 H 1 1.171 0.005 . 1 . 8 . . . 8 THR HG21 . 26991 1 67 . 1 1 8 8 THR HG23 H 1 1.171 0.005 . 1 . 8 . . . 8 THR HG21 . 26991 1 68 . 1 1 8 8 THR C C 13 174.254 0 . 1 . 1 . . . 8 THR C . 26991 1 69 . 1 1 8 8 THR CA C 13 61.724 0.063 . 1 . 9 . . . 8 THR CA . 26991 1 70 . 1 1 8 8 THR CB C 13 70.914 0.075 . 1 . 8 . . . 8 THR CB . 26991 1 71 . 1 1 8 8 THR CG2 C 13 24.733 0 . 1 . 1 . . . 8 THR CG2 . 26991 1 72 . 1 1 8 8 THR N N 15 109.525 0.022 . 1 . 10 . . . 8 THR N . 26991 1 73 . 1 1 9 9 THR H H 1 9.358 0.003 . 1 . 11 . . . 9 THR H . 26991 1 74 . 1 1 9 9 THR HA H 1 4.93 0.002 . 1 . 11 . . . 9 THR HA . 26991 1 75 . 1 1 9 9 THR HB H 1 4.125 0.003 . 1 . 10 . . . 9 THR HB . 26991 1 76 . 1 1 9 9 THR HG21 H 1 1.388 0.001 . 1 . 4 . . . 9 THR HG21 . 26991 1 77 . 1 1 9 9 THR HG22 H 1 1.388 0.001 . 1 . 4 . . . 9 THR HG21 . 26991 1 78 . 1 1 9 9 THR HG23 H 1 1.388 0.001 . 1 . 4 . . . 9 THR HG21 . 26991 1 79 . 1 1 9 9 THR CA C 13 59.593 0.076 . 1 . 7 . . . 9 THR CA . 26991 1 80 . 1 1 9 9 THR CB C 13 72.695 0.045 . 1 . 8 . . . 9 THR CB . 26991 1 81 . 1 1 9 9 THR N N 15 118.661 0.02 . 1 . 11 . . . 9 THR N . 26991 1 82 . 1 1 10 10 PRO HA H 1 4.707 0.005 . 1 . 12 . . . 10 PRO HA . 26991 1 83 . 1 1 10 10 PRO HB2 H 1 2.338 0.01 . 1 . 10 . . . 10 PRO HB2 . 26991 1 84 . 1 1 10 10 PRO HB3 H 1 1.858 0.01 . 1 . 12 . . . 10 PRO HB3 . 26991 1 85 . 1 1 10 10 PRO C C 13 176.5 0 . 1 . 1 . . . 10 PRO C . 26991 1 86 . 1 1 10 10 PRO CA C 13 62.543 0.043 . 1 . 9 . . . 10 PRO CA . 26991 1 87 . 1 1 10 10 PRO CB C 13 32.027 0.068 . 1 . 12 . . . 10 PRO CB . 26991 1 88 . 1 1 10 10 PRO CG C 13 27.633 0 . 1 . 1 . . . 10 PRO CG . 26991 1 89 . 1 1 11 11 CYS H H 1 9.055 0.003 . 1 . 15 . . . 11 CYS H . 26991 1 90 . 1 1 11 11 CYS HA H 1 5.393 0.003 . 1 . 12 . . . 11 CYS HA . 26991 1 91 . 1 1 11 11 CYS HB2 H 1 3.134 0.005 . 1 . 9 . . . 11 CYS HB2 . 26991 1 92 . 1 1 11 11 CYS HB3 H 1 2.49 0.009 . 1 . 11 . . . 11 CYS HB3 . 26991 1 93 . 1 1 11 11 CYS C C 13 173.907 0 . 1 . 1 . . . 11 CYS C . 26991 1 94 . 1 1 11 11 CYS CA C 13 51.122 0.043 . 1 . 10 . . . 11 CYS CA . 26991 1 95 . 1 1 11 11 CYS CB C 13 41.014 0.079 . 1 . 11 . . . 11 CYS CB . 26991 1 96 . 1 1 11 11 CYS N N 15 119.715 0.032 . 1 . 13 . . . 11 CYS N . 26991 1 97 . 1 1 12 12 CYS H H 1 9.033 0.001 . 1 . 12 . . . 12 CYS H . 26991 1 98 . 1 1 12 12 CYS HA H 1 4.928 0.004 . 1 . 11 . . . 12 CYS HA . 26991 1 99 . 1 1 12 12 CYS HB2 H 1 2.755 0.008 . 1 . 12 . . . 12 CYS HB2 . 26991 1 100 . 1 1 12 12 CYS HB3 H 1 2.408 0.006 . 1 . 10 . . . 12 CYS HB3 . 26991 1 101 . 1 1 12 12 CYS C C 13 174.934 0 . 1 . 1 . . . 12 CYS C . 26991 1 102 . 1 1 12 12 CYS CA C 13 55.014 0.035 . 1 . 7 . . . 12 CYS CA . 26991 1 103 . 1 1 12 12 CYS CB C 13 44.404 0.05 . 1 . 14 . . . 12 CYS CB . 26991 1 104 . 1 1 12 12 CYS N N 15 117.647 0.027 . 1 . 12 . . . 12 CYS N . 26991 1 105 . 1 1 13 13 PHE H H 1 9.216 0.002 . 1 . 12 . . . 13 PHE H . 26991 1 106 . 1 1 13 13 PHE HA H 1 4.395 0.003 . 1 . 12 . . . 13 PHE HA . 26991 1 107 . 1 1 13 13 PHE HB2 H 1 3.405 0.003 . 1 . 15 . . . 13 PHE HB2 . 26991 1 108 . 1 1 13 13 PHE HB3 H 1 2.552 0.003 . 1 . 11 . . . 13 PHE HB3 . 26991 1 109 . 1 1 13 13 PHE HD2 H 1 6.892 0.003 . 3 . 6 . . . 13 PHE HD2 . 26991 1 110 . 1 1 13 13 PHE HE1 H 1 7.027 0.002 . 3 . 13 . . . 13 PHE HE1 . 26991 1 111 . 1 1 13 13 PHE C C 13 173.172 0 . 1 . 1 . . . 13 PHE C . 26991 1 112 . 1 1 13 13 PHE CA C 13 57.897 0.044 . 1 . 10 . . . 13 PHE CA . 26991 1 113 . 1 1 13 13 PHE CB C 13 40.231 0.066 . 1 . 19 . . . 13 PHE CB . 26991 1 114 . 1 1 13 13 PHE CD1 C 13 128.724 0.087 . 3 . 2 . . . 13 PHE CD1 . 26991 1 115 . 1 1 13 13 PHE CD2 C 13 128.724 0.087 . 3 . 2 . . . 13 PHE CD2 . 26991 1 116 . 1 1 13 13 PHE CE1 C 13 130.51 0.013 . 3 . 2 . . . 13 PHE CE1 . 26991 1 117 . 1 1 13 13 PHE CE2 C 13 130.51 0.013 . 3 . 2 . . . 13 PHE CE2 . 26991 1 118 . 1 1 13 13 PHE N N 15 120.78 0.032 . 1 . 11 . . . 13 PHE N . 26991 1 119 . 1 1 14 14 ALA H H 1 7.595 0.001 . 1 . 12 . . . 14 ALA H . 26991 1 120 . 1 1 14 14 ALA HA H 1 4.077 0.008 . 1 . 10 . . . 14 ALA HA . 26991 1 121 . 1 1 14 14 ALA HB1 H 1 1.326 0.014 . 1 . 9 . . . 14 ALA HB2 . 26991 1 122 . 1 1 14 14 ALA HB2 H 1 1.326 0.014 . 1 . 9 . . . 14 ALA HB2 . 26991 1 123 . 1 1 14 14 ALA HB3 H 1 1.326 0.014 . 1 . 9 . . . 14 ALA HB2 . 26991 1 124 . 1 1 14 14 ALA C C 13 174.234 0 . 1 . 1 . . . 14 ALA C . 26991 1 125 . 1 1 14 14 ALA CA C 13 51.177 0.062 . 1 . 10 . . . 14 ALA CA . 26991 1 126 . 1 1 14 14 ALA CB C 13 21.541 0.062 . 1 . 4 . . . 14 ALA CB . 26991 1 127 . 1 1 14 14 ALA N N 15 122.575 0.012 . 1 . 12 . . . 14 ALA N . 26991 1 128 . 1 1 15 15 TYR H H 1 8.143 0.005 . 1 . 14 . . . 15 TYR H . 26991 1 129 . 1 1 15 15 TYR HA H 1 4.83 0.005 . 1 . 9 . . . 15 TYR HA . 26991 1 130 . 1 1 15 15 TYR HB2 H 1 3.104 0.006 . 1 . 11 . . . 15 TYR HB2 . 26991 1 131 . 1 1 15 15 TYR HB3 H 1 2.74 0.005 . 1 . 13 . . . 15 TYR HB3 . 26991 1 132 . 1 1 15 15 TYR HD2 H 1 6.828 0.003 . 3 . 12 . . . 15 TYR HD2 . 26991 1 133 . 1 1 15 15 TYR HE1 H 1 6.72 0.002 . 3 . 4 . . . 15 TYR HE1 . 26991 1 134 . 1 1 15 15 TYR C C 13 176.39 0 . 1 . 1 . . . 15 TYR C . 26991 1 135 . 1 1 15 15 TYR CA C 13 55.13 0.049 . 1 . 7 . . . 15 TYR CA . 26991 1 136 . 1 1 15 15 TYR CB C 13 41.998 0.047 . 1 . 19 . . . 15 TYR CB . 26991 1 137 . 1 1 15 15 TYR CD1 C 13 133.296 0.042 . 3 . 2 . . . 15 TYR CD1 . 26991 1 138 . 1 1 15 15 TYR CD2 C 13 133.255 0 . 3 . 1 . . . 15 TYR CD2 . 26991 1 139 . 1 1 15 15 TYR CE1 C 13 117.33 0 . 3 . 1 . . . 15 TYR CE1 . 26991 1 140 . 1 1 15 15 TYR N N 15 113.75 0.024 . 1 . 11 . . . 15 TYR N . 26991 1 141 . 1 1 16 16 LEU H H 1 8.938 0.003 . 1 . 12 . . . 16 LEU H . 26991 1 142 . 1 1 16 16 LEU HA H 1 4.478 0.004 . 1 . 11 . . . 16 LEU HA . 26991 1 143 . 1 1 16 16 LEU HB2 H 1 2.044 0.007 . 1 . 11 . . . 16 LEU HB2 . 26991 1 144 . 1 1 16 16 LEU HB3 H 1 1.856 0.004 . 1 . 11 . . . 16 LEU HB3 . 26991 1 145 . 1 1 16 16 LEU HG H 1 1.856 0.001 . 1 . 2 . . . 16 LEU HG . 26991 1 146 . 1 1 16 16 LEU HD11 H 1 1.135 0.006 . 2 . 7 . . . 16 LEU HD11 . 26991 1 147 . 1 1 16 16 LEU HD12 H 1 1.135 0.006 . 2 . 7 . . . 16 LEU HD11 . 26991 1 148 . 1 1 16 16 LEU HD13 H 1 1.135 0.006 . 2 . 7 . . . 16 LEU HD11 . 26991 1 149 . 1 1 16 16 LEU HD21 H 1 1.107 0 . 2 . 2 . . . 16 LEU HD21 . 26991 1 150 . 1 1 16 16 LEU HD22 H 1 1.107 0 . 2 . 2 . . . 16 LEU HD21 . 26991 1 151 . 1 1 16 16 LEU HD23 H 1 1.107 0 . 2 . 2 . . . 16 LEU HD21 . 26991 1 152 . 1 1 16 16 LEU C C 13 177.913 0 . 1 . 1 . . . 16 LEU C . 26991 1 153 . 1 1 16 16 LEU CA C 13 55.846 0.05 . 1 . 9 . . . 16 LEU CA . 26991 1 154 . 1 1 16 16 LEU CB C 13 43.145 0.063 . 1 . 18 . . . 16 LEU CB . 26991 1 155 . 1 1 16 16 LEU CG C 13 26.684 0 . 1 . 1 . . . 16 LEU CG . 26991 1 156 . 1 1 16 16 LEU CD1 C 13 24.737 0 . 2 . 1 . . . 16 LEU CD1 . 26991 1 157 . 1 1 16 16 LEU CD2 C 13 24.737 0 . 2 . 1 . . . 16 LEU CD2 . 26991 1 158 . 1 1 16 16 LEU N N 15 124.702 0.025 . 1 . 12 . . . 16 LEU N . 26991 1 159 . 1 1 17 17 SER H H 1 8.844 0.003 . 1 . 16 . . . 17 SER H . 26991 1 160 . 1 1 17 17 SER HA H 1 4.592 0.003 . 1 . 6 . . . 17 SER HA . 26991 1 161 . 1 1 17 17 SER HB2 H 1 4.014 0.012 . 2 . 8 . . . 17 SER HB2 . 26991 1 162 . 1 1 17 17 SER C C 13 174.463 0 . 1 . 1 . . . 17 SER C . 26991 1 163 . 1 1 17 17 SER CA C 13 60.495 0.052 . 1 . 6 . . . 17 SER CA . 26991 1 164 . 1 1 17 17 SER CB C 13 63.834 0.048 . 1 . 6 . . . 17 SER CB . 26991 1 165 . 1 1 17 17 SER N N 15 121.192 0.017 . 1 . 15 . . . 17 SER N . 26991 1 166 . 1 1 18 18 LEU H H 1 7.512 0.001 . 1 . 13 . . . 18 LEU H . 26991 1 167 . 1 1 18 18 LEU HA H 1 4.341 0.004 . 1 . 6 . . . 18 LEU HA . 26991 1 168 . 1 1 18 18 LEU HB2 H 1 1.381 0 . 1 . 2 . . . 18 LEU HB2 . 26991 1 169 . 1 1 18 18 LEU HB3 H 1 1.456 0.013 . 1 . 3 . . . 18 LEU HB3 . 26991 1 170 . 1 1 18 18 LEU HG H 1 1.384 0 . 1 . 2 . . . 18 LEU HG . 26991 1 171 . 1 1 18 18 LEU HD11 H 1 0.836 0.003 . 2 . 2 . . . 18 LEU HD12 . 26991 1 172 . 1 1 18 18 LEU HD12 H 1 0.836 0.003 . 2 . 2 . . . 18 LEU HD12 . 26991 1 173 . 1 1 18 18 LEU HD13 H 1 0.836 0.003 . 2 . 2 . . . 18 LEU HD12 . 26991 1 174 . 1 1 18 18 LEU C C 13 174.94 0 . 1 . 1 . . . 18 LEU C . 26991 1 175 . 1 1 18 18 LEU CA C 13 53.54 0.07 . 1 . 6 . . . 18 LEU CA . 26991 1 176 . 1 1 18 18 LEU CB C 13 43.591 0.082 . 1 . 8 . . . 18 LEU CB . 26991 1 177 . 1 1 18 18 LEU CG C 13 26.763 0 . 1 . 1 . . . 18 LEU CG . 26991 1 178 . 1 1 18 18 LEU CD1 C 13 24.864 0 . 1 . 1 . . . 18 LEU CD1 . 26991 1 179 . 1 1 18 18 LEU CD2 C 13 23.705 0 . 1 . 1 . . . 18 LEU CD2 . 26991 1 180 . 1 1 18 18 LEU N N 15 122.839 0.009 . 1 . 11 . . . 18 LEU N . 26991 1 181 . 1 1 19 19 ALA H H 1 7.454 0.001 . 1 . 15 . . . 19 ALA H . 26991 1 182 . 1 1 19 19 ALA HA H 1 1.647 0.004 . 1 . 5 . . . 19 ALA HA . 26991 1 183 . 1 1 19 19 ALA HB1 H 1 0.151 0.002 . 1 . 4 . . . 19 ALA HB2 . 26991 1 184 . 1 1 19 19 ALA HB2 H 1 0.151 0.002 . 1 . 4 . . . 19 ALA HB2 . 26991 1 185 . 1 1 19 19 ALA HB3 H 1 0.151 0.002 . 1 . 4 . . . 19 ALA HB2 . 26991 1 186 . 1 1 19 19 ALA C C 13 177.576 0 . 1 . 1 . . . 19 ALA C . 26991 1 187 . 1 1 19 19 ALA CA C 13 52.37 0.036 . 1 . 5 . . . 19 ALA CA . 26991 1 188 . 1 1 19 19 ALA CB C 13 17.62 0.122 . 1 . 5 . . . 19 ALA CB . 26991 1 189 . 1 1 19 19 ALA N N 15 122.826 0.033 . 1 . 14 . . . 19 ALA N . 26991 1 190 . 1 1 20 20 LEU H H 1 5.614 0.002 . 1 . 10 . . . 20 LEU H . 26991 1 191 . 1 1 20 20 LEU HA H 1 4.502 0 . 1 . 2 . . . 20 LEU HA . 26991 1 192 . 1 1 20 20 LEU HB2 H 1 1.68 0.002 . 1 . 2 . . . 20 LEU HB2 . 26991 1 193 . 1 1 20 20 LEU HB3 H 1 1.344 0 . 1 . 4 . . . 20 LEU HB3 . 26991 1 194 . 1 1 20 20 LEU HG H 1 1.538 0 . 1 . 1 . . . 20 LEU HG . 26991 1 195 . 1 1 20 20 LEU HD11 H 1 0.88 0 . 2 . 1 . . . 20 LEU HD12 . 26991 1 196 . 1 1 20 20 LEU HD12 H 1 0.88 0 . 2 . 1 . . . 20 LEU HD12 . 26991 1 197 . 1 1 20 20 LEU HD13 H 1 0.88 0 . 2 . 1 . . . 20 LEU HD12 . 26991 1 198 . 1 1 20 20 LEU CA C 13 53.061 0 . 1 . 1 . . . 20 LEU CA . 26991 1 199 . 1 1 20 20 LEU CB C 13 40.935 0.072 . 1 . 6 . . . 20 LEU CB . 26991 1 200 . 1 1 20 20 LEU N N 15 122.26 0.027 . 1 . 10 . . . 20 LEU N . 26991 1 201 . 1 1 21 21 PRO HA H 1 4.197 0.004 . 1 . 5 . . . 21 PRO HA . 26991 1 202 . 1 1 21 21 PRO HB2 H 1 2.11 0.004 . 1 . 6 . . . 21 PRO HB2 . 26991 1 203 . 1 1 21 21 PRO HB3 H 1 1.038 0.007 . 1 . 8 . . . 21 PRO HB3 . 26991 1 204 . 1 1 21 21 PRO HG2 H 1 1.789 0 . 1 . 1 . . . 21 PRO HG2 . 26991 1 205 . 1 1 21 21 PRO HG3 H 1 1.552 0 . 1 . 1 . . . 21 PRO HG3 . 26991 1 206 . 1 1 21 21 PRO C C 13 177.812 0 . 1 . 1 . . . 21 PRO C . 26991 1 207 . 1 1 21 21 PRO CA C 13 63.185 0.027 . 1 . 3 . . . 21 PRO CA . 26991 1 208 . 1 1 21 21 PRO CB C 13 31.185 0.088 . 1 . 10 . . . 21 PRO CB . 26991 1 209 . 1 1 21 21 PRO CG C 13 27.978 0 . 1 . 1 . . . 21 PRO CG . 26991 1 210 . 1 1 22 22 ARG H H 1 8.497 0.001 . 1 . 13 . . . 22 ARG H . 26991 1 211 . 1 1 22 22 ARG HA H 1 3.201 0.004 . 1 . 11 . . . 22 ARG HA . 26991 1 212 . 1 1 22 22 ARG HB2 H 1 1.367 0.013 . 1 . 11 . . . 22 ARG HB2 . 26991 1 213 . 1 1 22 22 ARG HB3 H 1 1.206 0.01 . 1 . 8 . . . 22 ARG HB3 . 26991 1 214 . 1 1 22 22 ARG HG2 H 1 0.881 0.002 . 1 . 9 . . . 22 ARG HG2 . 26991 1 215 . 1 1 22 22 ARG HG3 H 1 0.261 0.005 . 1 . 11 . . . 22 ARG HG3 . 26991 1 216 . 1 1 22 22 ARG HD2 H 1 2.3 0 . 1 . 2 . . . 22 ARG HD2 . 26991 1 217 . 1 1 22 22 ARG HD3 H 1 2.182 0 . 1 . 1 . . . 22 ARG HD3 . 26991 1 218 . 1 1 22 22 ARG HE H 1 6.499 0 . 1 . 2 . . . 22 ARG HE . 26991 1 219 . 1 1 22 22 ARG C C 13 178.356 0 . 1 . 1 . . . 22 ARG C . 26991 1 220 . 1 1 22 22 ARG CA C 13 59.824 0.063 . 1 . 8 . . . 22 ARG CA . 26991 1 221 . 1 1 22 22 ARG CB C 13 30.174 0.135 . 1 . 13 . . . 22 ARG CB . 26991 1 222 . 1 1 22 22 ARG CG C 13 26.001 0.077 . 1 . 11 . . . 22 ARG CG . 26991 1 223 . 1 1 22 22 ARG CD C 13 43.477 0 . 1 . 1 . . . 22 ARG CD . 26991 1 224 . 1 1 22 22 ARG N N 15 129.404 0.021 . 1 . 13 . . . 22 ARG N . 26991 1 225 . 1 1 22 22 ARG NE N 15 84.1 0 . 1 . 2 . . . 22 ARG NE . 26991 1 226 . 1 1 23 23 ALA H H 1 8.488 0.001 . 1 . 17 . . . 23 ALA H . 26991 1 227 . 1 1 23 23 ALA HA H 1 4.213 0.009 . 1 . 3 . . . 23 ALA HA . 26991 1 228 . 1 1 23 23 ALA HB1 H 1 1.379 0.002 . 1 . 4 . . . 23 ALA HB2 . 26991 1 229 . 1 1 23 23 ALA HB2 H 1 1.379 0.002 . 1 . 4 . . . 23 ALA HB2 . 26991 1 230 . 1 1 23 23 ALA HB3 H 1 1.379 0.002 . 1 . 4 . . . 23 ALA HB2 . 26991 1 231 . 1 1 23 23 ALA C C 13 178.76 0 . 1 . 1 . . . 23 ALA C . 26991 1 232 . 1 1 23 23 ALA CA C 13 53.657 0.069 . 1 . 4 . . . 23 ALA CA . 26991 1 233 . 1 1 23 23 ALA CB C 13 18.436 0.056 . 1 . 5 . . . 23 ALA CB . 26991 1 234 . 1 1 23 23 ALA N N 15 117.412 0.046 . 1 . 17 . . . 23 ALA N . 26991 1 235 . 1 1 24 24 HIS H H 1 7.949 0.002 . 1 . 10 . . . 24 HIS H . 26991 1 236 . 1 1 24 24 HIS HA H 1 4.727 0.005 . 1 . 6 . . . 24 HIS HA . 26991 1 237 . 1 1 24 24 HIS HB2 H 1 3.854 0.006 . 1 . 6 . . . 24 HIS HB2 . 26991 1 238 . 1 1 24 24 HIS HB3 H 1 3.201 0.005 . 1 . 5 . . . 24 HIS HB3 . 26991 1 239 . 1 1 24 24 HIS HD2 H 1 6.959 0.003 . 1 . 3 . . . 24 HIS HD2 . 26991 1 240 . 1 1 24 24 HIS C C 13 174.286 0 . 1 . 1 . . . 24 HIS C . 26991 1 241 . 1 1 24 24 HIS CA C 13 54.562 0.094 . 1 . 5 . . . 24 HIS CA . 26991 1 242 . 1 1 24 24 HIS CB C 13 29.232 0.089 . 1 . 9 . . . 24 HIS CB . 26991 1 243 . 1 1 24 24 HIS CD2 C 13 117.499 0 . 1 . 1 . . . 24 HIS CD2 . 26991 1 244 . 1 1 24 24 HIS N N 15 111.97 0.021 . 1 . 10 . . . 24 HIS N . 26991 1 245 . 1 1 25 25 VAL H H 1 7.755 0.001 . 1 . 12 . . . 25 VAL H . 26991 1 246 . 1 1 25 25 VAL HA H 1 4.067 0.002 . 1 . 3 . . . 25 VAL HA . 26991 1 247 . 1 1 25 25 VAL HB H 1 2.201 0.003 . 1 . 7 . . . 25 VAL HB . 26991 1 248 . 1 1 25 25 VAL HG11 H 1 1.034 0.004 . 2 . 5 . . . 25 VAL HG11 . 26991 1 249 . 1 1 25 25 VAL HG12 H 1 1.034 0.004 . 2 . 5 . . . 25 VAL HG11 . 26991 1 250 . 1 1 25 25 VAL HG13 H 1 1.034 0.004 . 2 . 5 . . . 25 VAL HG11 . 26991 1 251 . 1 1 25 25 VAL HG21 H 1 0.843 0.006 . 2 . 4 . . . 25 VAL HG21 . 26991 1 252 . 1 1 25 25 VAL HG22 H 1 0.843 0.006 . 2 . 4 . . . 25 VAL HG21 . 26991 1 253 . 1 1 25 25 VAL HG23 H 1 0.843 0.006 . 2 . 4 . . . 25 VAL HG21 . 26991 1 254 . 1 1 25 25 VAL C C 13 174.258 0 . 1 . 1 . . . 25 VAL C . 26991 1 255 . 1 1 25 25 VAL CA C 13 63.727 0.083 . 1 . 4 . . . 25 VAL CA . 26991 1 256 . 1 1 25 25 VAL CB C 13 32.64 0.042 . 1 . 6 . . . 25 VAL CB . 26991 1 257 . 1 1 25 25 VAL CG1 C 13 23.792 0.098 . 1 . 3 . . . 25 VAL CG1 . 26991 1 258 . 1 1 25 25 VAL CG2 C 13 21.559 0.044 . 1 . 2 . . . 25 VAL CG2 . 26991 1 259 . 1 1 25 25 VAL N N 15 118.673 0.023 . 1 . 12 . . . 25 VAL N . 26991 1 260 . 1 1 26 26 LYS H H 1 9.316 0.002 . 1 . 15 . . . 26 LYS H . 26991 1 261 . 1 1 26 26 LYS HA H 1 4.715 0.002 . 1 . 6 . . . 26 LYS HA . 26991 1 262 . 1 1 26 26 LYS HB2 H 1 1.768 0.004 . 1 . 6 . . . 26 LYS HB2 . 26991 1 263 . 1 1 26 26 LYS HB3 H 1 1.677 0.003 . 1 . 7 . . . 26 LYS HB3 . 26991 1 264 . 1 1 26 26 LYS HG2 H 1 1.343 0.002 . 2 . 7 . . . 26 LYS HG2 . 26991 1 265 . 1 1 26 26 LYS HD2 H 1 1.664 0.001 . 1 . 3 . . . 26 LYS HD2 . 26991 1 266 . 1 1 26 26 LYS HD3 H 1 1.761 0 . 1 . 2 . . . 26 LYS HD3 . 26991 1 267 . 1 1 26 26 LYS HE2 H 1 2.944 0.001 . 1 . 3 . . . 26 LYS HE2 . 26991 1 268 . 1 1 26 26 LYS HE3 H 1 3.137 0 . 1 . 3 . . . 26 LYS HE3 . 26991 1 269 . 1 1 26 26 LYS C C 13 175.724 0 . 1 . 1 . . . 26 LYS C . 26991 1 270 . 1 1 26 26 LYS CA C 13 56.516 0.044 . 1 . 5 . . . 26 LYS CA . 26991 1 271 . 1 1 26 26 LYS CB C 13 35.658 0.021 . 1 . 15 . . . 26 LYS CB . 26991 1 272 . 1 1 26 26 LYS CG C 13 24.36 0.065 . 1 . 5 . . . 26 LYS CG . 26991 1 273 . 1 1 26 26 LYS CD C 13 30.04 0 . 1 . 1 . . . 26 LYS CD . 26991 1 274 . 1 1 26 26 LYS N N 15 123.631 0.021 . 1 . 15 . . . 26 LYS N . 26991 1 275 . 1 1 27 27 GLU H H 1 8.06 0.001 . 1 . 12 . . . 27 GLU H . 26991 1 276 . 1 1 27 27 GLU HA H 1 4.978 0.005 . 1 . 4 . . . 27 GLU HA . 26991 1 277 . 1 1 27 27 GLU HB2 H 1 2.196 0.003 . 2 . 3 . . . 27 GLU HB2 . 26991 1 278 . 1 1 27 27 GLU HG2 H 1 2.401 0.004 . 2 . 2 . . . 27 GLU HG2 . 26991 1 279 . 1 1 27 27 GLU C C 13 173.129 0 . 1 . 1 . . . 27 GLU C . 26991 1 280 . 1 1 27 27 GLU CA C 13 54.936 0.044 . 1 . 4 . . . 27 GLU CA . 26991 1 281 . 1 1 27 27 GLU CB C 13 32.055 0.01 . 1 . 3 . . . 27 GLU CB . 26991 1 282 . 1 1 27 27 GLU CG C 13 32.747 0.021 . 1 . 2 . . . 27 GLU CG . 26991 1 283 . 1 1 27 27 GLU N N 15 115.698 0.047 . 1 . 12 . . . 27 GLU N . 26991 1 284 . 1 1 28 28 TYR H H 1 8.633 0.001 . 1 . 12 . . . 28 TYR H . 26991 1 285 . 1 1 28 28 TYR HA H 1 6.09 0.002 . 1 . 7 . . . 28 TYR HA . 26991 1 286 . 1 1 28 28 TYR HB2 H 1 2.797 0.004 . 1 . 7 . . . 28 TYR HB2 . 26991 1 287 . 1 1 28 28 TYR HB3 H 1 2.485 0.008 . 1 . 7 . . . 28 TYR HB3 . 26991 1 288 . 1 1 28 28 TYR HD2 H 1 6.641 0.005 . 3 . 7 . . . 28 TYR HD2 . 26991 1 289 . 1 1 28 28 TYR HE1 H 1 6.686 0.004 . 1 . 7 . . . 28 TYR HE1 . 26991 1 290 . 1 1 28 28 TYR HE2 H 1 6.689 0 . 1 . 1 . . . 28 TYR HE2 . 26991 1 291 . 1 1 28 28 TYR C C 13 173.265 0 . 1 . 1 . . . 28 TYR C . 26991 1 292 . 1 1 28 28 TYR CA C 13 55.82 0.034 . 1 . 6 . . . 28 TYR CA . 26991 1 293 . 1 1 28 28 TYR CB C 13 43.108 0.075 . 1 . 12 . . . 28 TYR CB . 26991 1 294 . 1 1 28 28 TYR CD1 C 13 132.609 0 . 1 . 1 . . . 28 TYR CD1 . 26991 1 295 . 1 1 28 28 TYR CD2 C 13 132.658 0 . 1 . 1 . . . 28 TYR CD2 . 26991 1 296 . 1 1 28 28 TYR CE1 C 13 118.335 0.038 . 3 . 2 . . . 28 TYR CE1 . 26991 1 297 . 1 1 28 28 TYR CE2 C 13 118.335 0.038 . 3 . 2 . . . 28 TYR CE2 . 26991 1 298 . 1 1 28 28 TYR N N 15 119.02 0.011 . 1 . 12 . . . 28 TYR N . 26991 1 299 . 1 1 29 29 PHE H H 1 8.522 0.002 . 1 . 12 . . . 29 PHE H . 26991 1 300 . 1 1 29 29 PHE HA H 1 4.37 0.004 . 1 . 5 . . . 29 PHE HA . 26991 1 301 . 1 1 29 29 PHE HB2 H 1 3.159 0 . 1 . 2 . . . 29 PHE HB2 . 26991 1 302 . 1 1 29 29 PHE HB3 H 1 3.054 0 . 1 . 2 . . . 29 PHE HB3 . 26991 1 303 . 1 1 29 29 PHE HD2 H 1 7.216 0.003 . 3 . 6 . . . 29 PHE HD2 . 26991 1 304 . 1 1 29 29 PHE C C 13 173.319 0 . 1 . 1 . . . 29 PHE C . 26991 1 305 . 1 1 29 29 PHE CA C 13 56.752 0.014 . 1 . 5 . . . 29 PHE CA . 26991 1 306 . 1 1 29 29 PHE CB C 13 40.28 0.022 . 1 . 6 . . . 29 PHE CB . 26991 1 307 . 1 1 29 29 PHE CD1 C 13 131.608 0 . 3 . 1 . . . 29 PHE CD1 . 26991 1 308 . 1 1 29 29 PHE CD2 C 13 131.608 0 . 3 . 1 . . . 29 PHE CD2 . 26991 1 309 . 1 1 29 29 PHE N N 15 114.862 0.028 . 1 . 12 . . . 29 PHE N . 26991 1 310 . 1 1 30 30 TYR H H 1 9.01 0.001 . 1 . 10 . . . 30 TYR H . 26991 1 311 . 1 1 30 30 TYR HA H 1 5.152 0.002 . 1 . 7 . . . 30 TYR HA . 26991 1 312 . 1 1 30 30 TYR HB2 H 1 3.146 0.001 . 1 . 3 . . . 30 TYR HB2 . 26991 1 313 . 1 1 30 30 TYR HB3 H 1 2.907 0.005 . 1 . 3 . . . 30 TYR HB3 . 26991 1 314 . 1 1 30 30 TYR HD2 H 1 7.229 0.003 . 3 . 7 . . . 30 TYR HD2 . 26991 1 315 . 1 1 30 30 TYR HE1 H 1 6.746 0.003 . 3 . 6 . . . 30 TYR HE1 . 26991 1 316 . 1 1 30 30 TYR C C 13 177.72 0 . 1 . 1 . . . 30 TYR C . 26991 1 317 . 1 1 30 30 TYR CA C 13 58.134 0.025 . 1 . 6 . . . 30 TYR CA . 26991 1 318 . 1 1 30 30 TYR CB C 13 39.546 0.115 . 1 . 8 . . . 30 TYR CB . 26991 1 319 . 1 1 30 30 TYR CD1 C 13 133.34 0.075 . 1 . 2 . . . 30 TYR CD1 . 26991 1 320 . 1 1 30 30 TYR CD2 C 13 133.415 0 . 1 . 1 . . . 30 TYR CD2 . 26991 1 321 . 1 1 30 30 TYR CE1 C 13 117.894 0.073 . 3 . 2 . . . 30 TYR CE1 . 26991 1 322 . 1 1 30 30 TYR N N 15 119.693 0.016 . 1 . 10 . . . 30 TYR N . 26991 1 323 . 1 1 31 31 THR H H 1 8.265 0.002 . 1 . 12 . . . 31 THR H . 26991 1 324 . 1 1 31 31 THR HA H 1 4.595 0.003 . 1 . 5 . . . 31 THR HA . 26991 1 325 . 1 1 31 31 THR HB H 1 4.881 0.007 . 1 . 5 . . . 31 THR HB . 26991 1 326 . 1 1 31 31 THR HG21 H 1 1.158 0.001 . 1 . 3 . . . 31 THR HG21 . 26991 1 327 . 1 1 31 31 THR HG22 H 1 1.158 0.001 . 1 . 3 . . . 31 THR HG21 . 26991 1 328 . 1 1 31 31 THR HG23 H 1 1.158 0.001 . 1 . 3 . . . 31 THR HG21 . 26991 1 329 . 1 1 31 31 THR C C 13 174.764 0 . 1 . 1 . . . 31 THR C . 26991 1 330 . 1 1 31 31 THR CA C 13 61.756 0.07 . 1 . 5 . . . 31 THR CA . 26991 1 331 . 1 1 31 31 THR CB C 13 71.053 0.043 . 1 . 5 . . . 31 THR CB . 26991 1 332 . 1 1 31 31 THR CG2 C 13 23.888 0 . 1 . 1 . . . 31 THR CG2 . 26991 1 333 . 1 1 31 31 THR N N 15 111.181 0.032 . 1 . 12 . . . 31 THR N . 26991 1 334 . 1 1 32 32 SER H H 1 9.73 0.002 . 1 . 13 . . . 32 SER H . 26991 1 335 . 1 1 32 32 SER HA H 1 4.272 0.004 . 1 . 3 . . . 32 SER HA . 26991 1 336 . 1 1 32 32 SER HB2 H 1 4.169 0.008 . 1 . 5 . . . 32 SER HB2 . 26991 1 337 . 1 1 32 32 SER HB3 H 1 3.715 0.003 . 1 . 4 . . . 32 SER HB3 . 26991 1 338 . 1 1 32 32 SER C C 13 177.992 0 . 1 . 1 . . . 32 SER C . 26991 1 339 . 1 1 32 32 SER CA C 13 58.177 0.027 . 1 . 4 . . . 32 SER CA . 26991 1 340 . 1 1 32 32 SER CB C 13 64.069 0.117 . 1 . 7 . . . 32 SER CB . 26991 1 341 . 1 1 32 32 SER N N 15 114.651 0.041 . 1 . 13 . . . 32 SER N . 26991 1 342 . 1 1 33 33 SER H H 1 9.02 0.001 . 1 . 11 . . . 33 SER H . 26991 1 343 . 1 1 33 33 SER HA H 1 4.29 0 . 1 . 2 . . . 33 SER HA . 26991 1 344 . 1 1 33 33 SER HB2 H 1 3.961 0.013 . 2 . 3 . . . 33 SER HB2 . 26991 1 345 . 1 1 33 33 SER C C 13 174.732 0 . 1 . 1 . . . 33 SER C . 26991 1 346 . 1 1 33 33 SER CA C 13 60.473 0.065 . 1 . 4 . . . 33 SER CA . 26991 1 347 . 1 1 33 33 SER CB C 13 62.598 0.035 . 1 . 4 . . . 33 SER CB . 26991 1 348 . 1 1 33 33 SER N N 15 126.629 0.03 . 1 . 11 . . . 33 SER N . 26991 1 349 . 1 1 34 34 LYS H H 1 8.07 0.001 . 1 . 10 . . . 34 LYS H . 26991 1 350 . 1 1 34 34 LYS HA H 1 3.751 0.003 . 1 . 6 . . . 34 LYS HA . 26991 1 351 . 1 1 34 34 LYS HB2 H 1 0.577 0.005 . 1 . 12 . . . 34 LYS HB2 . 26991 1 352 . 1 1 34 34 LYS HB3 H 1 0.26 0.008 . 1 . 12 . . . 34 LYS HB3 . 26991 1 353 . 1 1 34 34 LYS HG2 H 1 1.019 0.005 . 2 . 4 . . . 34 LYS HG2 . 26991 1 354 . 1 1 34 34 LYS HD2 H 1 1.297 0.001 . 1 . 2 . . . 34 LYS HD2 . 26991 1 355 . 1 1 34 34 LYS HD3 H 1 1.204 0 . 1 . 2 . . . 34 LYS HD3 . 26991 1 356 . 1 1 34 34 LYS HE2 H 1 2.815 0 . 1 . 2 . . . 34 LYS HE2 . 26991 1 357 . 1 1 34 34 LYS HE3 H 1 2.857 0.001 . 1 . 2 . . . 34 LYS HE3 . 26991 1 358 . 1 1 34 34 LYS C C 13 178.061 0 . 1 . 1 . . . 34 LYS C . 26991 1 359 . 1 1 34 34 LYS CA C 13 57.26 0.081 . 1 . 6 . . . 34 LYS CA . 26991 1 360 . 1 1 34 34 LYS CB C 13 30.592 0.083 . 1 . 19 . . . 34 LYS CB . 26991 1 361 . 1 1 34 34 LYS CG C 13 25.56 0 . 1 . 1 . . . 34 LYS CG . 26991 1 362 . 1 1 34 34 LYS N N 15 119.565 0.032 . 1 . 10 . . . 34 LYS N . 26991 1 363 . 1 1 35 35 CYS H H 1 7.444 0.001 . 1 . 14 . . . 35 CYS H . 26991 1 364 . 1 1 35 35 CYS HA H 1 4.601 0.003 . 1 . 4 . . . 35 CYS HA . 26991 1 365 . 1 1 35 35 CYS HB2 H 1 3.719 0.004 . 1 . 6 . . . 35 CYS HB2 . 26991 1 366 . 1 1 35 35 CYS HB3 H 1 2.906 0.005 . 1 . 4 . . . 35 CYS HB3 . 26991 1 367 . 1 1 35 35 CYS C C 13 175.252 0 . 1 . 1 . . . 35 CYS C . 26991 1 368 . 1 1 35 35 CYS CA C 13 55.287 0.049 . 1 . 5 . . . 35 CYS CA . 26991 1 369 . 1 1 35 35 CYS CB C 13 38.666 0.092 . 1 . 6 . . . 35 CYS CB . 26991 1 370 . 1 1 35 35 CYS N N 15 116.277 0.027 . 1 . 14 . . . 35 CYS N . 26991 1 371 . 1 1 36 36 SER H H 1 8.716 0.001 . 1 . 12 . . . 36 SER H . 26991 1 372 . 1 1 36 36 SER HA H 1 4.057 0 . 1 . 1 . . . 36 SER HA . 26991 1 373 . 1 1 36 36 SER C C 13 174.253 0 . 1 . 1 . . . 36 SER C . 26991 1 374 . 1 1 36 36 SER CA C 13 60.932 0.065 . 1 . 3 . . . 36 SER CA . 26991 1 375 . 1 1 36 36 SER CB C 13 63.215 0.037 . 1 . 3 . . . 36 SER CB . 26991 1 376 . 1 1 36 36 SER N N 15 116.814 0.016 . 1 . 12 . . . 36 SER N . 26991 1 377 . 1 1 37 37 ASN H H 1 7.971 0.002 . 1 . 10 . . . 37 ASN H . 26991 1 378 . 1 1 37 37 ASN HA H 1 4.979 0.005 . 1 . 5 . . . 37 ASN HA . 26991 1 379 . 1 1 37 37 ASN HB2 H 1 2.61 0.001 . 1 . 6 . . . 37 ASN HB2 . 26991 1 380 . 1 1 37 37 ASN HB3 H 1 2.534 0.003 . 1 . 7 . . . 37 ASN HB3 . 26991 1 381 . 1 1 37 37 ASN HD21 H 1 7.209 0.001 . 1 . 5 . . . 37 ASN HD21 . 26991 1 382 . 1 1 37 37 ASN HD22 H 1 6.92 0 . 1 . 2 . . . 37 ASN HD22 . 26991 1 383 . 1 1 37 37 ASN C C 13 174.632 0 . 1 . 1 . . . 37 ASN C . 26991 1 384 . 1 1 37 37 ASN CA C 13 51.641 0.05 . 1 . 6 . . . 37 ASN CA . 26991 1 385 . 1 1 37 37 ASN CB C 13 40.198 0.021 . 1 . 11 . . . 37 ASN CB . 26991 1 386 . 1 1 37 37 ASN N N 15 117.554 0.026 . 1 . 10 . . . 37 ASN N . 26991 1 387 . 1 1 37 37 ASN ND2 N 15 111.748 0.003 . 1 . 4 . . . 37 ASN ND2 . 26991 1 388 . 1 1 38 38 LEU H H 1 8.717 0.001 . 1 . 13 . . . 38 LEU H . 26991 1 389 . 1 1 38 38 LEU HA H 1 4.285 0.005 . 1 . 3 . . . 38 LEU HA . 26991 1 390 . 1 1 38 38 LEU HB2 H 1 1.614 0.003 . 1 . 8 . . . 38 LEU HB2 . 26991 1 391 . 1 1 38 38 LEU HB3 H 1 1.551 0 . 1 . 8 . . . 38 LEU HB3 . 26991 1 392 . 1 1 38 38 LEU HG H 1 1.51 0 . 1 . 2 . . . 38 LEU HG . 26991 1 393 . 1 1 38 38 LEU HD11 H 1 0.96 0.001 . 2 . 2 . . . 38 LEU HD11 . 26991 1 394 . 1 1 38 38 LEU HD12 H 1 0.96 0.001 . 2 . 2 . . . 38 LEU HD11 . 26991 1 395 . 1 1 38 38 LEU HD13 H 1 0.96 0.001 . 2 . 2 . . . 38 LEU HD11 . 26991 1 396 . 1 1 38 38 LEU HD21 H 1 0.862 0 . 2 . 2 . . . 38 LEU HD21 . 26991 1 397 . 1 1 38 38 LEU HD22 H 1 0.862 0 . 2 . 2 . . . 38 LEU HD21 . 26991 1 398 . 1 1 38 38 LEU HD23 H 1 0.862 0 . 2 . 2 . . . 38 LEU HD21 . 26991 1 399 . 1 1 38 38 LEU C C 13 175.752 0 . 1 . 1 . . . 38 LEU C . 26991 1 400 . 1 1 38 38 LEU CA C 13 55.461 0.002 . 1 . 3 . . . 38 LEU CA . 26991 1 401 . 1 1 38 38 LEU CB C 13 41.949 0.025 . 1 . 15 . . . 38 LEU CB . 26991 1 402 . 1 1 38 38 LEU CG C 13 27.39 0 . 1 . 1 . . . 38 LEU CG . 26991 1 403 . 1 1 38 38 LEU CD1 C 13 24.485 0 . 2 . 1 . . . 38 LEU CD1 . 26991 1 404 . 1 1 38 38 LEU CD2 C 13 24.485 0 . 2 . 1 . . . 38 LEU CD2 . 26991 1 405 . 1 1 38 38 LEU N N 15 125.464 0.037 . 1 . 13 . . . 38 LEU N . 26991 1 406 . 1 1 39 39 ALA H H 1 7.918 0.001 . 1 . 13 . . . 39 ALA H . 26991 1 407 . 1 1 39 39 ALA HA H 1 4.795 0.001 . 1 . 3 . . . 39 ALA HA . 26991 1 408 . 1 1 39 39 ALA HB1 H 1 1.518 0.002 . 1 . 5 . . . 39 ALA HB2 . 26991 1 409 . 1 1 39 39 ALA HB2 H 1 1.518 0.002 . 1 . 5 . . . 39 ALA HB2 . 26991 1 410 . 1 1 39 39 ALA HB3 H 1 1.518 0.002 . 1 . 5 . . . 39 ALA HB2 . 26991 1 411 . 1 1 39 39 ALA C C 13 174.824 0 . 1 . 1 . . . 39 ALA C . 26991 1 412 . 1 1 39 39 ALA CA C 13 51.728 0.05 . 1 . 4 . . . 39 ALA CA . 26991 1 413 . 1 1 39 39 ALA CB C 13 24.669 0.059 . 1 . 4 . . . 39 ALA CB . 26991 1 414 . 1 1 39 39 ALA N N 15 125.738 0.015 . 1 . 13 . . . 39 ALA N . 26991 1 415 . 1 1 40 40 VAL H H 1 8.192 0.001 . 1 . 11 . . . 40 VAL H . 26991 1 416 . 1 1 40 40 VAL HA H 1 4.066 0.001 . 1 . 7 . . . 40 VAL HA . 26991 1 417 . 1 1 40 40 VAL HB H 1 1.07 0.002 . 1 . 9 . . . 40 VAL HB . 26991 1 418 . 1 1 40 40 VAL HG11 H 1 0.171 0.001 . 2 . 9 . . . 40 VAL HG11 . 26991 1 419 . 1 1 40 40 VAL HG12 H 1 0.171 0.001 . 2 . 9 . . . 40 VAL HG11 . 26991 1 420 . 1 1 40 40 VAL HG13 H 1 0.171 0.001 . 2 . 9 . . . 40 VAL HG11 . 26991 1 421 . 1 1 40 40 VAL HG21 H 1 -0.204 0.002 . 2 . 9 . . . 40 VAL HG21 . 26991 1 422 . 1 1 40 40 VAL HG22 H 1 -0.204 0.002 . 2 . 9 . . . 40 VAL HG21 . 26991 1 423 . 1 1 40 40 VAL HG23 H 1 -0.204 0.002 . 2 . 9 . . . 40 VAL HG21 . 26991 1 424 . 1 1 40 40 VAL C C 13 172.208 0 . 1 . 1 . . . 40 VAL C . 26991 1 425 . 1 1 40 40 VAL CA C 13 60.435 0.041 . 1 . 6 . . . 40 VAL CA . 26991 1 426 . 1 1 40 40 VAL CB C 13 34.355 0.067 . 1 . 7 . . . 40 VAL CB . 26991 1 427 . 1 1 40 40 VAL CG1 C 13 22.332 0.061 . 1 . 5 . . . 40 VAL CG1 . 26991 1 428 . 1 1 40 40 VAL CG2 C 13 20.459 0.077 . 1 . 5 . . . 40 VAL CG2 . 26991 1 429 . 1 1 40 40 VAL N N 15 119.534 0.037 . 1 . 11 . . . 40 VAL N . 26991 1 430 . 1 1 41 41 VAL H H 1 8.715 0.002 . 1 . 15 . . . 41 VAL H . 26991 1 431 . 1 1 41 41 VAL HA H 1 4.501 0.004 . 1 . 4 . . . 41 VAL HA . 26991 1 432 . 1 1 41 41 VAL HB H 1 0.065 0.006 . 1 . 7 . . . 41 VAL HB . 26991 1 433 . 1 1 41 41 VAL HG11 H 1 0.319 0.001 . 2 . 5 . . . 41 VAL HG12 . 26991 1 434 . 1 1 41 41 VAL HG12 H 1 0.319 0.001 . 2 . 5 . . . 41 VAL HG12 . 26991 1 435 . 1 1 41 41 VAL HG13 H 1 0.319 0.001 . 2 . 5 . . . 41 VAL HG12 . 26991 1 436 . 1 1 41 41 VAL C C 13 176.206 0 . 1 . 1 . . . 41 VAL C . 26991 1 437 . 1 1 41 41 VAL CA C 13 59.497 0.088 . 1 . 4 . . . 41 VAL CA . 26991 1 438 . 1 1 41 41 VAL CB C 13 32.117 0.075 . 1 . 6 . . . 41 VAL CB . 26991 1 439 . 1 1 41 41 VAL CG1 C 13 22.853 0.122 . 2 . 3 . . . 41 VAL CG1 . 26991 1 440 . 1 1 41 41 VAL N N 15 125.817 0.05 . 1 . 15 . . . 41 VAL N . 26991 1 441 . 1 1 42 42 PHE H H 1 9.031 0.001 . 1 . 13 . . . 42 PHE H . 26991 1 442 . 1 1 42 42 PHE HA H 1 5.287 0.003 . 1 . 8 . . . 42 PHE HA . 26991 1 443 . 1 1 42 42 PHE HB2 H 1 3.044 0.004 . 1 . 9 . . . 42 PHE HB2 . 26991 1 444 . 1 1 42 42 PHE HB3 H 1 2.794 0.003 . 1 . 5 . . . 42 PHE HB3 . 26991 1 445 . 1 1 42 42 PHE HD2 H 1 7.188 0.005 . 3 . 7 . . . 42 PHE HD2 . 26991 1 446 . 1 1 42 42 PHE HE1 H 1 6.85 0.003 . 3 . 5 . . . 42 PHE HE1 . 26991 1 447 . 1 1 42 42 PHE C C 13 174.62 0 . 1 . 1 . . . 42 PHE C . 26991 1 448 . 1 1 42 42 PHE CA C 13 56.554 0.057 . 1 . 6 . . . 42 PHE CA . 26991 1 449 . 1 1 42 42 PHE CB C 13 41.046 0.076 . 1 . 14 . . . 42 PHE CB . 26991 1 450 . 1 1 42 42 PHE CD1 C 13 131.402 0 . 1 . 1 . . . 42 PHE CD1 . 26991 1 451 . 1 1 42 42 PHE CD2 C 13 131.337 0 . 1 . 1 . . . 42 PHE CD2 . 26991 1 452 . 1 1 42 42 PHE CE1 C 13 131.062 0 . 1 . 1 . . . 42 PHE CE1 . 26991 1 453 . 1 1 42 42 PHE CE2 C 13 131.045 0 . 1 . 1 . . . 42 PHE CE2 . 26991 1 454 . 1 1 42 42 PHE N N 15 122.709 0.019 . 1 . 13 . . . 42 PHE N . 26991 1 455 . 1 1 43 43 VAL H H 1 8.761 0.002 . 1 . 13 . . . 43 VAL H . 26991 1 456 . 1 1 43 43 VAL HA H 1 5.24 0.004 . 1 . 9 . . . 43 VAL HA . 26991 1 457 . 1 1 43 43 VAL HB H 1 1.995 0.006 . 1 . 5 . . . 43 VAL HB . 26991 1 458 . 1 1 43 43 VAL HG11 H 1 1.179 0 . 2 . 2 . . . 43 VAL HG11 . 26991 1 459 . 1 1 43 43 VAL HG12 H 1 1.179 0 . 2 . 2 . . . 43 VAL HG11 . 26991 1 460 . 1 1 43 43 VAL HG13 H 1 1.179 0 . 2 . 2 . . . 43 VAL HG11 . 26991 1 461 . 1 1 43 43 VAL HG21 H 1 1.069 0.001 . 2 . 2 . . . 43 VAL HG21 . 26991 1 462 . 1 1 43 43 VAL HG22 H 1 1.069 0.001 . 2 . 2 . . . 43 VAL HG21 . 26991 1 463 . 1 1 43 43 VAL HG23 H 1 1.069 0.001 . 2 . 2 . . . 43 VAL HG21 . 26991 1 464 . 1 1 43 43 VAL C C 13 177.839 0 . 1 . 1 . . . 43 VAL C . 26991 1 465 . 1 1 43 43 VAL CA C 13 60.688 0.049 . 1 . 9 . . . 43 VAL CA . 26991 1 466 . 1 1 43 43 VAL CB C 13 32.861 0.078 . 1 . 6 . . . 43 VAL CB . 26991 1 467 . 1 1 43 43 VAL CG1 C 13 21.273 0 . 2 . 1 . . . 43 VAL CG1 . 26991 1 468 . 1 1 43 43 VAL CG2 C 13 21.273 0 . 2 . 1 . . . 43 VAL CG2 . 26991 1 469 . 1 1 43 43 VAL N N 15 123.064 0.019 . 1 . 12 . . . 43 VAL N . 26991 1 470 . 1 1 44 44 THR H H 1 9.321 0.002 . 1 . 14 . . . 44 THR H . 26991 1 471 . 1 1 44 44 THR HA H 1 5.511 0.003 . 1 . 8 . . . 44 THR HA . 26991 1 472 . 1 1 44 44 THR HB H 1 5.165 0.004 . 1 . 6 . . . 44 THR HB . 26991 1 473 . 1 1 44 44 THR HG21 H 1 1.308 0.001 . 1 . 2 . . . 44 THR HG21 . 26991 1 474 . 1 1 44 44 THR HG22 H 1 1.308 0.001 . 1 . 2 . . . 44 THR HG21 . 26991 1 475 . 1 1 44 44 THR HG23 H 1 1.308 0.001 . 1 . 2 . . . 44 THR HG21 . 26991 1 476 . 1 1 44 44 THR C C 13 177.246 0 . 1 . 1 . . . 44 THR C . 26991 1 477 . 1 1 44 44 THR CA C 13 60.572 0.079 . 1 . 7 . . . 44 THR CA . 26991 1 478 . 1 1 44 44 THR CB C 13 71.487 0.092 . 1 . 5 . . . 44 THR CB . 26991 1 479 . 1 1 44 44 THR CG2 C 13 21.599 0.022 . 1 . 2 . . . 44 THR CG2 . 26991 1 480 . 1 1 44 44 THR N N 15 118.308 0.036 . 1 . 14 . . . 44 THR N . 26991 1 481 . 1 1 45 45 ARG H H 1 8.517 0.002 . 1 . 12 . . . 45 ARG H . 26991 1 482 . 1 1 45 45 ARG HA H 1 4.058 0.002 . 1 . 4 . . . 45 ARG HA . 26991 1 483 . 1 1 45 45 ARG HB2 H 1 2.008 0.004 . 2 . 4 . . . 45 ARG HB2 . 26991 1 484 . 1 1 45 45 ARG HG2 H 1 1.677 0 . 2 . 1 . . . 45 ARG HG2 . 26991 1 485 . 1 1 45 45 ARG HD2 H 1 3.256 0.006 . 2 . 5 . . . 45 ARG HD2 . 26991 1 486 . 1 1 45 45 ARG HE H 1 7.11 0 . 1 . 2 . . . 45 ARG HE . 26991 1 487 . 1 1 45 45 ARG C C 13 177.32 0 . 1 . 1 . . . 45 ARG C . 26991 1 488 . 1 1 45 45 ARG CA C 13 59.129 0.091 . 1 . 5 . . . 45 ARG CA . 26991 1 489 . 1 1 45 45 ARG CB C 13 29.433 0.069 . 1 . 4 . . . 45 ARG CB . 26991 1 490 . 1 1 45 45 ARG CG C 13 28.883 0 . 1 . 1 . . . 45 ARG CG . 26991 1 491 . 1 1 45 45 ARG CD C 13 43.151 0.057 . 1 . 3 . . . 45 ARG CD . 26991 1 492 . 1 1 45 45 ARG N N 15 119.416 0.026 . 1 . 12 . . . 45 ARG N . 26991 1 493 . 1 1 45 45 ARG NE N 15 84.3 0 . 1 . 2 . . . 45 ARG NE . 26991 1 494 . 1 1 46 46 ARG H H 1 7.622 0.003 . 1 . 16 . . . 46 ARG H . 26991 1 495 . 1 1 46 46 ARG HA H 1 4.475 0.003 . 1 . 9 . . . 46 ARG HA . 26991 1 496 . 1 1 46 46 ARG HB2 H 1 2.158 0.001 . 1 . 2 . . . 46 ARG HB2 . 26991 1 497 . 1 1 46 46 ARG HB3 H 1 1.714 0.005 . 1 . 4 . . . 46 ARG HB3 . 26991 1 498 . 1 1 46 46 ARG HD2 H 1 3.214 0.002 . 2 . 8 . . . 46 ARG HD2 . 26991 1 499 . 1 1 46 46 ARG HE H 1 7.192 0 . 1 . 2 . . . 46 ARG HE . 26991 1 500 . 1 1 46 46 ARG C C 13 174.88 0 . 1 . 1 . . . 46 ARG C . 26991 1 501 . 1 1 46 46 ARG CA C 13 55.753 0.024 . 1 . 9 . . . 46 ARG CA . 26991 1 502 . 1 1 46 46 ARG CB C 13 29.248 0.058 . 1 . 5 . . . 46 ARG CB . 26991 1 503 . 1 1 46 46 ARG CG C 13 27.691 0 . 1 . 1 . . . 46 ARG CG . 26991 1 504 . 1 1 46 46 ARG CD C 13 43.24 0.048 . 1 . 4 . . . 46 ARG CD . 26991 1 505 . 1 1 46 46 ARG N N 15 116.977 0.015 . 1 . 15 . . . 46 ARG N . 26991 1 506 . 1 1 46 46 ARG NE N 15 85.4 0 . 1 . 2 . . . 46 ARG NE . 26991 1 507 . 1 1 47 47 ASN H H 1 8.333 0.001 . 1 . 16 . . . 47 ASN H . 26991 1 508 . 1 1 47 47 ASN HA H 1 4.296 0.003 . 1 . 7 . . . 47 ASN HA . 26991 1 509 . 1 1 47 47 ASN HB2 H 1 3.079 0.003 . 1 . 7 . . . 47 ASN HB2 . 26991 1 510 . 1 1 47 47 ASN HB3 H 1 2.935 0.007 . 1 . 8 . . . 47 ASN HB3 . 26991 1 511 . 1 1 47 47 ASN HD21 H 1 7.537 0 . 1 . 2 . . . 47 ASN HD21 . 26991 1 512 . 1 1 47 47 ASN HD22 H 1 6.967 0 . 1 . 2 . . . 47 ASN HD22 . 26991 1 513 . 1 1 47 47 ASN C C 13 174.671 0 . 1 . 1 . . . 47 ASN C . 26991 1 514 . 1 1 47 47 ASN CA C 13 54.725 0.081 . 1 . 6 . . . 47 ASN CA . 26991 1 515 . 1 1 47 47 ASN CB C 13 36.682 0.006 . 1 . 9 . . . 47 ASN CB . 26991 1 516 . 1 1 47 47 ASN N N 15 114.801 0.027 . 1 . 15 . . . 47 ASN N . 26991 1 517 . 1 1 47 47 ASN ND2 N 15 113.615 0.008 . 1 . 4 . . . 47 ASN ND2 . 26991 1 518 . 1 1 48 48 ARG H H 1 7.482 0.002 . 1 . 12 . . . 48 ARG H . 26991 1 519 . 1 1 48 48 ARG HA H 1 4.441 0.001 . 1 . 2 . . . 48 ARG HA . 26991 1 520 . 1 1 48 48 ARG HB2 H 1 1.806 0.008 . 2 . 2 . . . 48 ARG HB2 . 26991 1 521 . 1 1 48 48 ARG HG2 H 1 1.492 0.013 . 2 . 2 . . . 48 ARG HG2 . 26991 1 522 . 1 1 48 48 ARG HD2 H 1 3.179 0.002 . 2 . 2 . . . 48 ARG HD2 . 26991 1 523 . 1 1 48 48 ARG HE H 1 7.434 0 . 1 . 2 . . . 48 ARG HE . 26991 1 524 . 1 1 48 48 ARG C C 13 175.146 0 . 1 . 1 . . . 48 ARG C . 26991 1 525 . 1 1 48 48 ARG CA C 13 55.801 0.005 . 1 . 3 . . . 48 ARG CA . 26991 1 526 . 1 1 48 48 ARG CB C 13 31.235 0.081 . 1 . 4 . . . 48 ARG CB . 26991 1 527 . 1 1 48 48 ARG CG C 13 27.755 0 . 1 . 1 . . . 48 ARG CG . 26991 1 528 . 1 1 48 48 ARG CD C 13 43.575 0.05 . 1 . 2 . . . 48 ARG CD . 26991 1 529 . 1 1 48 48 ARG N N 15 118.253 0.032 . 1 . 12 . . . 48 ARG N . 26991 1 530 . 1 1 48 48 ARG NE N 15 85.2 0 . 1 . 2 . . . 48 ARG NE . 26991 1 531 . 1 1 49 49 GLN H H 1 8.692 0.003 . 1 . 15 . . . 49 GLN H . 26991 1 532 . 1 1 49 49 GLN HA H 1 4.932 0.003 . 1 . 6 . . . 49 GLN HA . 26991 1 533 . 1 1 49 49 GLN HB2 H 1 2.263 0.006 . 1 . 3 . . . 49 GLN HB2 . 26991 1 534 . 1 1 49 49 GLN HB3 H 1 1.823 0.005 . 1 . 5 . . . 49 GLN HB3 . 26991 1 535 . 1 1 49 49 GLN HG2 H 1 2.665 0.003 . 2 . 4 . . . 49 GLN HG2 . 26991 1 536 . 1 1 49 49 GLN HE21 H 1 7.484 0 . 1 . 2 . . . 49 GLN HE21 . 26991 1 537 . 1 1 49 49 GLN HE22 H 1 6.844 0 . 1 . 2 . . . 49 GLN HE22 . 26991 1 538 . 1 1 49 49 GLN C C 13 174.777 0 . 1 . 1 . . . 49 GLN C . 26991 1 539 . 1 1 49 49 GLN CA C 13 55.141 0.123 . 1 . 6 . . . 49 GLN CA . 26991 1 540 . 1 1 49 49 GLN CB C 13 29.805 0.1 . 1 . 6 . . . 49 GLN CB . 26991 1 541 . 1 1 49 49 GLN CG C 13 34.161 0.032 . 1 . 2 . . . 49 GLN CG . 26991 1 542 . 1 1 49 49 GLN N N 15 122.683 0.022 . 1 . 15 . . . 49 GLN N . 26991 1 543 . 1 1 49 49 GLN NE2 N 15 109.336 0.001 . 1 . 4 . . . 49 GLN NE2 . 26991 1 544 . 1 1 50 50 VAL H H 1 9.128 0.002 . 1 . 14 . . . 50 VAL H . 26991 1 545 . 1 1 50 50 VAL HA H 1 4.634 0.005 . 1 . 6 . . . 50 VAL HA . 26991 1 546 . 1 1 50 50 VAL HB H 1 2.239 0.004 . 1 . 7 . . . 50 VAL HB . 26991 1 547 . 1 1 50 50 VAL HG11 H 1 1.159 0.001 . 2 . 2 . . . 50 VAL HG11 . 26991 1 548 . 1 1 50 50 VAL HG12 H 1 1.159 0.001 . 2 . 2 . . . 50 VAL HG11 . 26991 1 549 . 1 1 50 50 VAL HG13 H 1 1.159 0.001 . 2 . 2 . . . 50 VAL HG11 . 26991 1 550 . 1 1 50 50 VAL HG21 H 1 1.059 0 . 2 . 2 . . . 50 VAL HG21 . 26991 1 551 . 1 1 50 50 VAL HG22 H 1 1.059 0 . 2 . 2 . . . 50 VAL HG21 . 26991 1 552 . 1 1 50 50 VAL HG23 H 1 1.059 0 . 2 . 2 . . . 50 VAL HG21 . 26991 1 553 . 1 1 50 50 VAL C C 13 174.882 0 . 1 . 1 . . . 50 VAL C . 26991 1 554 . 1 1 50 50 VAL CA C 13 60.909 0.094 . 1 . 6 . . . 50 VAL CA . 26991 1 555 . 1 1 50 50 VAL CB C 13 34.802 0.088 . 1 . 7 . . . 50 VAL CB . 26991 1 556 . 1 1 50 50 VAL CG1 C 13 22.462 0 . 1 . 1 . . . 50 VAL CG1 . 26991 1 557 . 1 1 50 50 VAL CG2 C 13 21.015 0 . 1 . 1 . . . 50 VAL CG2 . 26991 1 558 . 1 1 50 50 VAL N N 15 121.96 0.022 . 1 . 14 . . . 50 VAL N . 26991 1 559 . 1 1 51 51 CYS H H 1 8.91 0.003 . 1 . 15 . . . 51 CYS H . 26991 1 560 . 1 1 51 51 CYS HA H 1 4.803 0.022 . 1 . 7 . . . 51 CYS HA . 26991 1 561 . 1 1 51 51 CYS HB2 H 1 3.704 0.009 . 1 . 4 . . . 51 CYS HB2 . 26991 1 562 . 1 1 51 51 CYS HB3 H 1 2.707 0.005 . 1 . 5 . . . 51 CYS HB3 . 26991 1 563 . 1 1 51 51 CYS C C 13 174.44 0 . 1 . 1 . . . 51 CYS C . 26991 1 564 . 1 1 51 51 CYS CA C 13 58.401 0.011 . 1 . 4 . . . 51 CYS CA . 26991 1 565 . 1 1 51 51 CYS CB C 13 47.893 0.069 . 1 . 7 . . . 51 CYS CB . 26991 1 566 . 1 1 51 51 CYS N N 15 124.363 0.013 . 1 . 13 . . . 51 CYS N . 26991 1 567 . 1 1 52 52 ALA H H 1 9.865 0.002 . 1 . 11 . . . 52 ALA H . 26991 1 568 . 1 1 52 52 ALA HA H 1 4.901 0.001 . 1 . 3 . . . 52 ALA HA . 26991 1 569 . 1 1 52 52 ALA HB1 H 1 1.196 0.002 . 1 . 3 . . . 52 ALA HB2 . 26991 1 570 . 1 1 52 52 ALA HB2 H 1 1.196 0.002 . 1 . 3 . . . 52 ALA HB2 . 26991 1 571 . 1 1 52 52 ALA HB3 H 1 1.196 0.002 . 1 . 3 . . . 52 ALA HB2 . 26991 1 572 . 1 1 52 52 ALA C C 13 174.185 0 . 1 . 1 . . . 52 ALA C . 26991 1 573 . 1 1 52 52 ALA CA C 13 50.991 0.078 . 1 . 4 . . . 52 ALA CA . 26991 1 574 . 1 1 52 52 ALA CB C 13 23.659 0.094 . 1 . 4 . . . 52 ALA CB . 26991 1 575 . 1 1 52 52 ALA N N 15 124.909 0.05 . 1 . 11 . . . 52 ALA N . 26991 1 576 . 1 1 53 53 ASN H H 1 8.563 0.001 . 1 . 11 . . . 53 ASN H . 26991 1 577 . 1 1 53 53 ASN HA H 1 4.108 0 . 1 . 2 . . . 53 ASN HA . 26991 1 578 . 1 1 53 53 ASN HB2 H 1 2.599 0 . 1 . 1 . . . 53 ASN HB2 . 26991 1 579 . 1 1 53 53 ASN HB3 H 1 1.484 0 . 1 . 1 . . . 53 ASN HB3 . 26991 1 580 . 1 1 53 53 ASN HD21 H 1 7.229 0.016 . 1 . 3 . . . 53 ASN HD21 . 26991 1 581 . 1 1 53 53 ASN HD22 H 1 7.171 0 . 1 . 2 . . . 53 ASN HD22 . 26991 1 582 . 1 1 53 53 ASN CA C 13 49.806 0 . 1 . 1 . . . 53 ASN CA . 26991 1 583 . 1 1 53 53 ASN CB C 13 38.859 0.082 . 1 . 3 . . . 53 ASN CB . 26991 1 584 . 1 1 53 53 ASN N N 15 120.635 0.032 . 1 . 11 . . . 53 ASN N . 26991 1 585 . 1 1 53 53 ASN ND2 N 15 113.306 0.002 . 1 . 4 . . . 53 ASN ND2 . 26991 1 586 . 1 1 54 54 PRO HA H 1 3.94 0.002 . 1 . 3 . . . 54 PRO HA . 26991 1 587 . 1 1 54 54 PRO HB2 H 1 2.049 0.007 . 2 . 4 . . . 54 PRO HB2 . 26991 1 588 . 1 1 54 54 PRO HG2 H 1 1.917 0 . 2 . 1 . . . 54 PRO HG2 . 26991 1 589 . 1 1 54 54 PRO C C 13 175.87 0 . 1 . 1 . . . 54 PRO C . 26991 1 590 . 1 1 54 54 PRO CA C 13 63.735 0.066 . 1 . 3 . . . 54 PRO CA . 26991 1 591 . 1 1 54 54 PRO CB C 13 31.779 0.088 . 1 . 4 . . . 54 PRO CB . 26991 1 592 . 1 1 54 54 PRO CG C 13 26.906 0 . 1 . 1 . . . 54 PRO CG . 26991 1 593 . 1 1 55 55 GLU H H 1 7.701 0.001 . 1 . 12 . . . 55 GLU H . 26991 1 594 . 1 1 55 55 GLU HA H 1 4.055 0.003 . 1 . 5 . . . 55 GLU HA . 26991 1 595 . 1 1 55 55 GLU HB2 H 1 2.071 0.004 . 1 . 6 . . . 55 GLU HB2 . 26991 1 596 . 1 1 55 55 GLU HB3 H 1 1.698 0.005 . 1 . 6 . . . 55 GLU HB3 . 26991 1 597 . 1 1 55 55 GLU HG2 H 1 2.418 0.014 . 1 . 10 . . . 55 GLU HG2 . 26991 1 598 . 1 1 55 55 GLU HG3 H 1 2.343 0.012 . 1 . 10 . . . 55 GLU HG3 . 26991 1 599 . 1 1 55 55 GLU C C 13 177.042 0 . 1 . 1 . . . 55 GLU C . 26991 1 600 . 1 1 55 55 GLU CA C 13 56.174 0.028 . 1 . 6 . . . 55 GLU CA . 26991 1 601 . 1 1 55 55 GLU CB C 13 28.408 0.066 . 1 . 8 . . . 55 GLU CB . 26991 1 602 . 1 1 55 55 GLU CG C 13 33.451 0 . 1 . 9 . . . 55 GLU CG . 26991 1 603 . 1 1 55 55 GLU N N 15 114.437 0.02 . 1 . 12 . . . 55 GLU N . 26991 1 604 . 1 1 56 56 LYS H H 1 7.421 0.001 . 1 . 15 . . . 56 LYS H . 26991 1 605 . 1 1 56 56 LYS HA H 1 4.292 0.001 . 1 . 4 . . . 56 LYS HA . 26991 1 606 . 1 1 56 56 LYS HB2 H 1 1.554 0.006 . 2 . 5 . . . 56 LYS HB2 . 26991 1 607 . 1 1 56 56 LYS HG2 H 1 1.641 0.004 . 1 . 2 . . . 56 LYS HG2 . 26991 1 608 . 1 1 56 56 LYS HG3 H 1 1.272 0.01 . 1 . 6 . . . 56 LYS HG3 . 26991 1 609 . 1 1 56 56 LYS HD2 H 1 1.802 0 . 1 . 1 . . . 56 LYS HD2 . 26991 1 610 . 1 1 56 56 LYS HD3 H 1 1.798 0 . 1 . 1 . . . 56 LYS HD3 . 26991 1 611 . 1 1 56 56 LYS HE2 H 1 3.192 0 . 1 . 1 . . . 56 LYS HE2 . 26991 1 612 . 1 1 56 56 LYS HE3 H 1 3.005 0 . 1 . 1 . . . 56 LYS HE3 . 26991 1 613 . 1 1 56 56 LYS C C 13 177.44 0 . 1 . 1 . . . 56 LYS C . 26991 1 614 . 1 1 56 56 LYS CA C 13 54.123 0.007 . 1 . 5 . . . 56 LYS CA . 26991 1 615 . 1 1 56 56 LYS CB C 13 32.348 0.04 . 1 . 6 . . . 56 LYS CB . 26991 1 616 . 1 1 56 56 LYS CG C 13 24.91 0.093 . 1 . 6 . . . 56 LYS CG . 26991 1 617 . 1 1 56 56 LYS N N 15 118.172 0.012 . 1 . 15 . . . 56 LYS N . 26991 1 618 . 1 1 57 57 LYS H H 1 8.706 0.001 . 1 . 14 . . . 57 LYS H . 26991 1 619 . 1 1 57 57 LYS HA H 1 3.865 0.002 . 1 . 3 . . . 57 LYS HA . 26991 1 620 . 1 1 57 57 LYS HB2 H 1 1.961 0.003 . 2 . 7 . . . 57 LYS HB2 . 26991 1 621 . 1 1 57 57 LYS HG2 H 1 1.53 0.025 . 1 . 2 . . . 57 LYS HG2 . 26991 1 622 . 1 1 57 57 LYS HG3 H 1 1.481 0.024 . 1 . 2 . . . 57 LYS HG3 . 26991 1 623 . 1 1 57 57 LYS C C 13 179.465 0 . 1 . 1 . . . 57 LYS C . 26991 1 624 . 1 1 57 57 LYS CA C 13 59.892 0.058 . 1 . 4 . . . 57 LYS CA . 26991 1 625 . 1 1 57 57 LYS CB C 13 31.695 0.105 . 1 . 7 . . . 57 LYS CB . 26991 1 626 . 1 1 57 57 LYS CG C 13 25.003 0 . 1 . 1 . . . 57 LYS CG . 26991 1 627 . 1 1 57 57 LYS CD C 13 29.03 0 . 1 . 1 . . . 57 LYS CD . 26991 1 628 . 1 1 57 57 LYS N N 15 125.142 0.049 . 1 . 14 . . . 57 LYS N . 26991 1 629 . 1 1 58 58 TRP H H 1 8.288 0.001 . 1 . 15 . . . 58 TRP H . 26991 1 630 . 1 1 58 58 TRP HA H 1 4.286 0.003 . 1 . 5 . . . 58 TRP HA . 26991 1 631 . 1 1 58 58 TRP HB2 H 1 3.118 0 . 1 . 5 . . . 58 TRP HB2 . 26991 1 632 . 1 1 58 58 TRP HB3 H 1 3.05 0 . 1 . 5 . . . 58 TRP HB3 . 26991 1 633 . 1 1 58 58 TRP HD1 H 1 7.642 0.004 . 1 . 5 . . . 58 TRP HD1 . 26991 1 634 . 1 1 58 58 TRP HE1 H 1 10.005 0.002 . 1 . 3 . . . 58 TRP HE1 . 26991 1 635 . 1 1 58 58 TRP C C 13 176.28 0 . 1 . 1 . . . 58 TRP C . 26991 1 636 . 1 1 58 58 TRP CA C 13 59.424 0.04 . 1 . 4 . . . 58 TRP CA . 26991 1 637 . 1 1 58 58 TRP CB C 13 26.659 0.019 . 1 . 11 . . . 58 TRP CB . 26991 1 638 . 1 1 58 58 TRP CD1 C 13 128.312 0 . 1 . 1 . . . 58 TRP CD1 . 26991 1 639 . 1 1 58 58 TRP N N 15 116.45 0.031 . 1 . 15 . . . 58 TRP N . 26991 1 640 . 1 1 58 58 TRP NE1 N 15 128.535 0 . 1 . 2 . . . 58 TRP NE1 . 26991 1 641 . 1 1 59 59 VAL H H 1 5.677 0.001 . 1 . 10 . . . 59 VAL H . 26991 1 642 . 1 1 59 59 VAL HA H 1 2.725 0.003 . 1 . 9 . . . 59 VAL HA . 26991 1 643 . 1 1 59 59 VAL HB H 1 1.74 0.006 . 1 . 7 . . . 59 VAL HB . 26991 1 644 . 1 1 59 59 VAL HG11 H 1 0.358 0.001 . 2 . 9 . . . 59 VAL HG11 . 26991 1 645 . 1 1 59 59 VAL HG12 H 1 0.358 0.001 . 2 . 9 . . . 59 VAL HG11 . 26991 1 646 . 1 1 59 59 VAL HG13 H 1 0.358 0.001 . 2 . 9 . . . 59 VAL HG11 . 26991 1 647 . 1 1 59 59 VAL HG21 H 1 -0.754 0.004 . 2 . 9 . . . 59 VAL HG21 . 26991 1 648 . 1 1 59 59 VAL HG22 H 1 -0.754 0.004 . 2 . 9 . . . 59 VAL HG21 . 26991 1 649 . 1 1 59 59 VAL HG23 H 1 -0.754 0.004 . 2 . 9 . . . 59 VAL HG21 . 26991 1 650 . 1 1 59 59 VAL C C 13 177.785 0 . 1 . 1 . . . 59 VAL C . 26991 1 651 . 1 1 59 59 VAL CA C 13 65.768 0.067 . 1 . 7 . . . 59 VAL CA . 26991 1 652 . 1 1 59 59 VAL CB C 13 30.74 0.088 . 1 . 6 . . . 59 VAL CB . 26991 1 653 . 1 1 59 59 VAL CG1 C 13 21.215 0.037 . 1 . 6 . . . 59 VAL CG1 . 26991 1 654 . 1 1 59 59 VAL CG2 C 13 21.303 0.046 . 1 . 3 . . . 59 VAL CG2 . 26991 1 655 . 1 1 59 59 VAL N N 15 122.129 0.009 . 1 . 10 . . . 59 VAL N . 26991 1 656 . 1 1 60 60 GLN H H 1 7.116 0.001 . 1 . 14 . . . 60 GLN H . 26991 1 657 . 1 1 60 60 GLN HA H 1 3.79 0.002 . 1 . 6 . . . 60 GLN HA . 26991 1 658 . 1 1 60 60 GLN HB2 H 1 2.084 0.007 . 2 . 4 . . . 60 GLN HB2 . 26991 1 659 . 1 1 60 60 GLN HG2 H 1 2.426 0.001 . 1 . 2 . . . 60 GLN HG2 . 26991 1 660 . 1 1 60 60 GLN HG3 H 1 2.349 0.001 . 1 . 2 . . . 60 GLN HG3 . 26991 1 661 . 1 1 60 60 GLN HE21 H 1 7.494 0 . 1 . 2 . . . 60 GLN HE21 . 26991 1 662 . 1 1 60 60 GLN HE22 H 1 6.635 0 . 1 . 2 . . . 60 GLN HE22 . 26991 1 663 . 1 1 60 60 GLN C C 13 179.162 0 . 1 . 1 . . . 60 GLN C . 26991 1 664 . 1 1 60 60 GLN CA C 13 58.456 0.042 . 1 . 7 . . . 60 GLN CA . 26991 1 665 . 1 1 60 60 GLN CB C 13 27.82 0.065 . 1 . 6 . . . 60 GLN CB . 26991 1 666 . 1 1 60 60 GLN CG C 13 33.244 0 . 1 . 1 . . . 60 GLN CG . 26991 1 667 . 1 1 60 60 GLN N N 15 117.074 0.02 . 1 . 14 . . . 60 GLN N . 26991 1 668 . 1 1 60 60 GLN NE2 N 15 111.283 0.001 . 1 . 4 . . . 60 GLN NE2 . 26991 1 669 . 1 1 61 61 GLU H H 1 8.426 0.001 . 1 . 13 . . . 61 GLU H . 26991 1 670 . 1 1 61 61 GLU HA H 1 4.151 0.005 . 1 . 7 . . . 61 GLU HA . 26991 1 671 . 1 1 61 61 GLU HB2 H 1 2.447 0.007 . 1 . 2 . . . 61 GLU HB2 . 26991 1 672 . 1 1 61 61 GLU HB3 H 1 2.293 0.001 . 1 . 2 . . . 61 GLU HB3 . 26991 1 673 . 1 1 61 61 GLU HG2 H 1 2.714 0 . 1 . 1 . . . 61 GLU HG2 . 26991 1 674 . 1 1 61 61 GLU HG3 H 1 2.543 0 . 1 . 1 . . . 61 GLU HG3 . 26991 1 675 . 1 1 61 61 GLU C C 13 179.457 0 . 1 . 1 . . . 61 GLU C . 26991 1 676 . 1 1 61 61 GLU CA C 13 58.829 0.087 . 1 . 8 . . . 61 GLU CA . 26991 1 677 . 1 1 61 61 GLU CB C 13 27.884 0.034 . 1 . 3 . . . 61 GLU CB . 26991 1 678 . 1 1 61 61 GLU CG C 13 34.059 0 . 1 . 1 . . . 61 GLU CG . 26991 1 679 . 1 1 61 61 GLU N N 15 118.518 0.02 . 1 . 13 . . . 61 GLU N . 26991 1 680 . 1 1 62 62 TYR H H 1 8.804 0.002 . 1 . 13 . . . 62 TYR H . 26991 1 681 . 1 1 62 62 TYR HA H 1 4.372 0.006 . 1 . 5 . . . 62 TYR HA . 26991 1 682 . 1 1 62 62 TYR HB2 H 1 3.536 0.003 . 1 . 7 . . . 62 TYR HB2 . 26991 1 683 . 1 1 62 62 TYR HB3 H 1 2.713 0.005 . 1 . 5 . . . 62 TYR HB3 . 26991 1 684 . 1 1 62 62 TYR HD2 H 1 6.749 0.009 . 3 . 9 . . . 62 TYR HD2 . 26991 1 685 . 1 1 62 62 TYR HE1 H 1 6.691 0.003 . 3 . 6 . . . 62 TYR HE1 . 26991 1 686 . 1 1 62 62 TYR C C 13 178.285 0 . 1 . 1 . . . 62 TYR C . 26991 1 687 . 1 1 62 62 TYR CA C 13 60.388 0.042 . 1 . 5 . . . 62 TYR CA . 26991 1 688 . 1 1 62 62 TYR CB C 13 37.332 0.065 . 1 . 11 . . . 62 TYR CB . 26991 1 689 . 1 1 62 62 TYR CD1 C 13 130.648 0.062 . 1 . 2 . . . 62 TYR CD1 . 26991 1 690 . 1 1 62 62 TYR CD2 C 13 130.655 0.069 . 1 . 2 . . . 62 TYR CD2 . 26991 1 691 . 1 1 62 62 TYR CE1 C 13 117.166 0 . 1 . 1 . . . 62 TYR CE1 . 26991 1 692 . 1 1 62 62 TYR CE2 C 13 117.197 0 . 1 . 1 . . . 62 TYR CE2 . 26991 1 693 . 1 1 62 62 TYR N N 15 123.639 0.014 . 1 . 13 . . . 62 TYR N . 26991 1 694 . 1 1 63 63 ILE H H 1 8.197 0.002 . 1 . 12 . . . 63 ILE H . 26991 1 695 . 1 1 63 63 ILE HA H 1 3.18 0.003 . 1 . 6 . . . 63 ILE HA . 26991 1 696 . 1 1 63 63 ILE HB H 1 1.632 0.003 . 1 . 6 . . . 63 ILE HB . 26991 1 697 . 1 1 63 63 ILE HG12 H 1 -0.228 0.003 . 2 . 4 . . . 63 ILE HG12 . 26991 1 698 . 1 1 63 63 ILE HG21 H 1 0.494 0.013 . 1 . 8 . . . 63 ILE HG21 . 26991 1 699 . 1 1 63 63 ILE HG22 H 1 0.494 0.013 . 1 . 8 . . . 63 ILE HG21 . 26991 1 700 . 1 1 63 63 ILE HG23 H 1 0.494 0.013 . 1 . 8 . . . 63 ILE HG21 . 26991 1 701 . 1 1 63 63 ILE HD11 H 1 1.497 0 . 1 . 1 . . . 63 ILE HD11 . 26991 1 702 . 1 1 63 63 ILE HD12 H 1 1.497 0 . 1 . 1 . . . 63 ILE HD11 . 26991 1 703 . 1 1 63 63 ILE HD13 H 1 1.497 0 . 1 . 1 . . . 63 ILE HD11 . 26991 1 704 . 1 1 63 63 ILE C C 13 177.261 0 . 1 . 1 . . . 63 ILE C . 26991 1 705 . 1 1 63 63 ILE CA C 13 66.471 0.085 . 1 . 6 . . . 63 ILE CA . 26991 1 706 . 1 1 63 63 ILE CB C 13 37.779 0.074 . 1 . 5 . . . 63 ILE CB . 26991 1 707 . 1 1 63 63 ILE CG1 C 13 28.382 0.057 . 1 . 4 . . . 63 ILE CG1 . 26991 1 708 . 1 1 63 63 ILE CG2 C 13 15.85 0.378 . 1 . 4 . . . 63 ILE CG2 . 26991 1 709 . 1 1 63 63 ILE N N 15 120.195 0.024 . 1 . 12 . . . 63 ILE N . 26991 1 710 . 1 1 64 64 ASN H H 1 7.836 0.001 . 1 . 14 . . . 64 ASN H . 26991 1 711 . 1 1 64 64 ASN HA H 1 4.401 0.001 . 1 . 5 . . . 64 ASN HA . 26991 1 712 . 1 1 64 64 ASN HB2 H 1 2.889 0.002 . 1 . 6 . . . 64 ASN HB2 . 26991 1 713 . 1 1 64 64 ASN HB3 H 1 2.831 0.001 . 1 . 6 . . . 64 ASN HB3 . 26991 1 714 . 1 1 64 64 ASN HD21 H 1 7.518 0 . 1 . 2 . . . 64 ASN HD21 . 26991 1 715 . 1 1 64 64 ASN HD22 H 1 6.905 0 . 1 . 2 . . . 64 ASN HD22 . 26991 1 716 . 1 1 64 64 ASN C C 13 177.576 0 . 1 . 1 . . . 64 ASN C . 26991 1 717 . 1 1 64 64 ASN CA C 13 56.531 0.06 . 1 . 5 . . . 64 ASN CA . 26991 1 718 . 1 1 64 64 ASN CB C 13 38.555 0.019 . 1 . 9 . . . 64 ASN CB . 26991 1 719 . 1 1 64 64 ASN N N 15 116.893 0.04 . 1 . 14 . . . 64 ASN N . 26991 1 720 . 1 1 64 64 ASN ND2 N 15 111.743 0 . 1 . 4 . . . 64 ASN ND2 . 26991 1 721 . 1 1 65 65 TYR H H 1 8.055 0.001 . 1 . 10 . . . 65 TYR H . 26991 1 722 . 1 1 65 65 TYR HA H 1 4.332 0.002 . 1 . 5 . . . 65 TYR HA . 26991 1 723 . 1 1 65 65 TYR HB2 H 1 3.217 0.001 . 1 . 6 . . . 65 TYR HB2 . 26991 1 724 . 1 1 65 65 TYR HB3 H 1 3.166 0.001 . 1 . 6 . . . 65 TYR HB3 . 26991 1 725 . 1 1 65 65 TYR HD2 H 1 7.182 0.003 . 3 . 6 . . . 65 TYR HD2 . 26991 1 726 . 1 1 65 65 TYR HE1 H 1 6.871 0.002 . 3 . 5 . . . 65 TYR HE1 . 26991 1 727 . 1 1 65 65 TYR C C 13 178.086 0 . 1 . 1 . . . 65 TYR C . 26991 1 728 . 1 1 65 65 TYR CA C 13 60.633 0.059 . 1 . 5 . . . 65 TYR CA . 26991 1 729 . 1 1 65 65 TYR CB C 13 38.454 0.05 . 1 . 12 . . . 65 TYR CB . 26991 1 730 . 1 1 65 65 TYR CD1 C 13 133.241 0 . 1 . 1 . . . 65 TYR CD1 . 26991 1 731 . 1 1 65 65 TYR CD2 C 13 133.469 0 . 1 . 1 . . . 65 TYR CD2 . 26991 1 732 . 1 1 65 65 TYR CE1 C 13 118.195 0 . 1 . 1 . . . 65 TYR CE1 . 26991 1 733 . 1 1 65 65 TYR CE2 C 13 118.224 0 . 1 . 1 . . . 65 TYR CE2 . 26991 1 734 . 1 1 65 65 TYR N N 15 119.541 0.026 . 1 . 10 . . . 65 TYR N . 26991 1 735 . 1 1 66 66 LEU H H 1 8.325 0.001 . 1 . 10 . . . 66 LEU H . 26991 1 736 . 1 1 66 66 LEU HA H 1 3.971 0.003 . 1 . 7 . . . 66 LEU HA . 26991 1 737 . 1 1 66 66 LEU HB2 H 1 2.121 0.013 . 1 . 5 . . . 66 LEU HB2 . 26991 1 738 . 1 1 66 66 LEU HB3 H 1 1.729 0.005 . 1 . 6 . . . 66 LEU HB3 . 26991 1 739 . 1 1 66 66 LEU HG H 1 1.027 0 . 1 . 1 . . . 66 LEU HG . 26991 1 740 . 1 1 66 66 LEU C C 13 179.309 0 . 1 . 1 . . . 66 LEU C . 26991 1 741 . 1 1 66 66 LEU CA C 13 56.938 0.078 . 1 . 6 . . . 66 LEU CA . 26991 1 742 . 1 1 66 66 LEU CB C 13 42.32 0.046 . 1 . 8 . . . 66 LEU CB . 26991 1 743 . 1 1 66 66 LEU CG C 13 27.242 0 . 1 . 1 . . . 66 LEU CG . 26991 1 744 . 1 1 66 66 LEU N N 15 121.099 0.019 . 1 . 10 . . . 66 LEU N . 26991 1 745 . 1 1 67 67 GLU H H 1 8.336 0.001 . 1 . 13 . . . 67 GLU H . 26991 1 746 . 1 1 67 67 GLU HA H 1 4.364 0.002 . 1 . 5 . . . 67 GLU HA . 26991 1 747 . 1 1 67 67 GLU HB2 H 1 2.318 0.001 . 1 . 6 . . . 67 GLU HB2 . 26991 1 748 . 1 1 67 67 GLU HB3 H 1 2.25 0 . 1 . 6 . . . 67 GLU HB3 . 26991 1 749 . 1 1 67 67 GLU HG2 H 1 2.79 0.001 . 1 . 8 . . . 67 GLU HG2 . 26991 1 750 . 1 1 67 67 GLU HG3 H 1 2.674 0.004 . 1 . 8 . . . 67 GLU HG3 . 26991 1 751 . 1 1 67 67 GLU C C 13 176.975 0 . 1 . 1 . . . 67 GLU C . 26991 1 752 . 1 1 67 67 GLU CA C 13 57.348 0.064 . 1 . 5 . . . 67 GLU CA . 26991 1 753 . 1 1 67 67 GLU CB C 13 29.062 0.026 . 1 . 9 . . . 67 GLU CB . 26991 1 754 . 1 1 67 67 GLU CG C 13 33.895 0 . 1 . 9 . . . 67 GLU CG . 26991 1 755 . 1 1 67 67 GLU N N 15 118.131 0.022 . 1 . 13 . . . 67 GLU N . 26991 1 756 . 1 1 68 68 MET H H 1 7.706 0 . 1 . 11 . . . 68 MET H . 26991 1 757 . 1 1 68 68 MET HA H 1 4.495 0.002 . 1 . 7 . . . 68 MET HA . 26991 1 758 . 1 1 68 68 MET HB2 H 1 2.175 0 . 1 . 3 . . . 68 MET HB2 . 26991 1 759 . 1 1 68 68 MET HB3 H 1 2.098 0 . 1 . 3 . . . 68 MET HB3 . 26991 1 760 . 1 1 68 68 MET HG2 H 1 2.724 0 . 1 . 3 . . . 68 MET HG2 . 26991 1 761 . 1 1 68 68 MET HG3 H 1 2.651 0 . 1 . 1 . . . 68 MET HG3 . 26991 1 762 . 1 1 68 68 MET C C 13 176.192 0 . 1 . 1 . . . 68 MET C . 26991 1 763 . 1 1 68 68 MET CA C 13 55.781 0.05 . 1 . 8 . . . 68 MET CA . 26991 1 764 . 1 1 68 68 MET CB C 13 32.95 0 . 1 . 7 . . . 68 MET CB . 26991 1 765 . 1 1 68 68 MET CG C 13 32.038 0 . 1 . 1 . . . 68 MET CG . 26991 1 766 . 1 1 68 68 MET N N 15 117.892 0.013 . 1 . 11 . . . 68 MET N . 26991 1 767 . 1 1 69 69 SER H H 1 7.852 0.003 . 1 . 12 . . . 69 SER H . 26991 1 768 . 1 1 69 69 SER HA H 1 4.405 0 . 1 . 2 . . . 69 SER HA . 26991 1 769 . 1 1 69 69 SER HB2 H 1 3.865 0 . 1 . 1 . . . 69 SER HB2 . 26991 1 770 . 1 1 69 69 SER HB3 H 1 3.798 0 . 1 . 1 . . . 69 SER HB3 . 26991 1 771 . 1 1 69 69 SER CA C 13 58.646 0.041 . 1 . 3 . . . 69 SER CA . 26991 1 772 . 1 1 69 69 SER CB C 13 64.268 0 . 1 . 1 . . . 69 SER CB . 26991 1 773 . 1 1 69 69 SER N N 15 118.667 0.07 . 1 . 12 . . . 69 SER N . 26991 1 stop_ save_