data_27610 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27610 _Entry.Title ; Sequence-specific 1H, 13C, and 15N backbone assignment of Fibronectin type III 14 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-13 _Entry.Accession_date 2018-09-13 _Entry.Last_release_date 2018-09-14 _Entry.Original_release_date 2018-09-14 _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 . _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 Xueyin Zhong . . . . 27610 2 Oliver Arnolds . . . . 27610 3 Oktavian Krenczyk . . . . 27610 4 Jana Gajewski . . . . 27610 5 Stefanie Puetz . . . . 27610 6 Christian Herrmann . . . . 27610 7 Raphael Stoll . . . . 27610 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27610 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 27610 '15N chemical shifts' 80 27610 '1H chemical shifts' 624 27610 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-01-04 2018-09-13 update BMRB 'update entry citation' 27610 1 . . 2018-10-01 2018-09-13 original author 'original release' 27610 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27609 'FN III 13 module' 27610 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27610 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30260627 _Citation.Full_citation . _Citation.Title ; Structure in solution of fibronectin type III-domain 14 reveals its synergistic heparin binding site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 57 _Citation.Journal_issue 42 _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 6045 _Citation.Page_last 6049 _Citation.Year 2018 _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 Xueyin Zhong . . . . 27610 1 2 Oliver Arnolds . . . . 27610 1 3 Oktavian Krenczyk . . . . 27610 1 4 Jana Gajewski . . . . 27610 1 5 Stefanie Puetz . . . . 27610 1 6 Christian Herrmann . . . . 27610 1 7 Raphael Stoll . . . . 27610 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27610 _Assembly.ID 1 _Assembly.Name 'FN III 14 module' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FNIII14 1 $FNIII14 A . yes native no no . . . 27610 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FNIII14 _Entity.Sf_category entity _Entity.Sf_framecode FNIII14 _Entity.Entry_ID 27610 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FNIII14 _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 ; GHMDAPSNLRFLATTPNSLL VSWQPPRARITGYIIKYEKP GSPPREVVPRPRPGVTEATI TGLEPGTEYTIYVIALKNNQ KSEPLIGRKKT ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . GLY . 27610 1 2 . HIS . 27610 1 3 . MET . 27610 1 4 . ASP . 27610 1 5 . ALA . 27610 1 6 . PRO . 27610 1 7 . SER . 27610 1 8 . ASN . 27610 1 9 . LEU . 27610 1 10 . ARG . 27610 1 11 . PHE . 27610 1 12 . LEU . 27610 1 13 . ALA . 27610 1 14 . THR . 27610 1 15 . THR . 27610 1 16 . PRO . 27610 1 17 . ASN . 27610 1 18 . SER . 27610 1 19 . LEU . 27610 1 20 . LEU . 27610 1 21 . VAL . 27610 1 22 . SER . 27610 1 23 . TRP . 27610 1 24 . GLN . 27610 1 25 . PRO . 27610 1 26 . PRO . 27610 1 27 . ARG . 27610 1 28 . ALA . 27610 1 29 . ARG . 27610 1 30 . ILE . 27610 1 31 . THR . 27610 1 32 . GLY . 27610 1 33 . TYR . 27610 1 34 . ILE . 27610 1 35 . ILE . 27610 1 36 . LYS . 27610 1 37 . TYR . 27610 1 38 . GLU . 27610 1 39 . LYS . 27610 1 40 . PRO . 27610 1 41 . GLY . 27610 1 42 . SER . 27610 1 43 . PRO . 27610 1 44 . PRO . 27610 1 45 . ARG . 27610 1 46 . GLU . 27610 1 47 . VAL . 27610 1 48 . VAL . 27610 1 49 . PRO . 27610 1 50 . ARG . 27610 1 51 . PRO . 27610 1 52 . ARG . 27610 1 53 . PRO . 27610 1 54 . GLY . 27610 1 55 . VAL . 27610 1 56 . THR . 27610 1 57 . GLU . 27610 1 58 . ALA . 27610 1 59 . THR . 27610 1 60 . ILE . 27610 1 61 . THR . 27610 1 62 . GLY . 27610 1 63 . LEU . 27610 1 64 . GLU . 27610 1 65 . PRO . 27610 1 66 . GLY . 27610 1 67 . THR . 27610 1 68 . GLU . 27610 1 69 . TYR . 27610 1 70 . THR . 27610 1 71 . ILE . 27610 1 72 . TYR . 27610 1 73 . VAL . 27610 1 74 . ILE . 27610 1 75 . ALA . 27610 1 76 . LEU . 27610 1 77 . LYS . 27610 1 78 . ASN . 27610 1 79 . ASN . 27610 1 80 . GLN . 27610 1 81 . LYS . 27610 1 82 . SER . 27610 1 83 . GLU . 27610 1 84 . PRO . 27610 1 85 . LEU . 27610 1 86 . ILE . 27610 1 87 . GLY . 27610 1 88 . ARG . 27610 1 89 . LYS . 27610 1 90 . LYS . 27610 1 91 . THR . 27610 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 27610 1 . HIS 2 2 27610 1 . MET 3 3 27610 1 . ASP 4 4 27610 1 . ALA 5 5 27610 1 . PRO 6 6 27610 1 . SER 7 7 27610 1 . ASN 8 8 27610 1 . LEU 9 9 27610 1 . ARG 10 10 27610 1 . PHE 11 11 27610 1 . LEU 12 12 27610 1 . ALA 13 13 27610 1 . THR 14 14 27610 1 . THR 15 15 27610 1 . PRO 16 16 27610 1 . ASN 17 17 27610 1 . SER 18 18 27610 1 . LEU 19 19 27610 1 . LEU 20 20 27610 1 . VAL 21 21 27610 1 . SER 22 22 27610 1 . TRP 23 23 27610 1 . GLN 24 24 27610 1 . PRO 25 25 27610 1 . PRO 26 26 27610 1 . ARG 27 27 27610 1 . ALA 28 28 27610 1 . ARG 29 29 27610 1 . ILE 30 30 27610 1 . THR 31 31 27610 1 . GLY 32 32 27610 1 . TYR 33 33 27610 1 . ILE 34 34 27610 1 . ILE 35 35 27610 1 . LYS 36 36 27610 1 . TYR 37 37 27610 1 . GLU 38 38 27610 1 . LYS 39 39 27610 1 . PRO 40 40 27610 1 . GLY 41 41 27610 1 . SER 42 42 27610 1 . PRO 43 43 27610 1 . PRO 44 44 27610 1 . ARG 45 45 27610 1 . GLU 46 46 27610 1 . VAL 47 47 27610 1 . VAL 48 48 27610 1 . PRO 49 49 27610 1 . ARG 50 50 27610 1 . PRO 51 51 27610 1 . ARG 52 52 27610 1 . PRO 53 53 27610 1 . GLY 54 54 27610 1 . VAL 55 55 27610 1 . THR 56 56 27610 1 . GLU 57 57 27610 1 . ALA 58 58 27610 1 . THR 59 59 27610 1 . ILE 60 60 27610 1 . THR 61 61 27610 1 . GLY 62 62 27610 1 . LEU 63 63 27610 1 . GLU 64 64 27610 1 . PRO 65 65 27610 1 . GLY 66 66 27610 1 . THR 67 67 27610 1 . GLU 68 68 27610 1 . TYR 69 69 27610 1 . THR 70 70 27610 1 . ILE 71 71 27610 1 . TYR 72 72 27610 1 . VAL 73 73 27610 1 . ILE 74 74 27610 1 . ALA 75 75 27610 1 . LEU 76 76 27610 1 . LYS 77 77 27610 1 . ASN 78 78 27610 1 . ASN 79 79 27610 1 . GLN 80 80 27610 1 . LYS 81 81 27610 1 . SER 82 82 27610 1 . GLU 83 83 27610 1 . PRO 84 84 27610 1 . LEU 85 85 27610 1 . ILE 86 86 27610 1 . GLY 87 87 27610 1 . ARG 88 88 27610 1 . LYS 89 89 27610 1 . LYS 90 90 27610 1 . THR 91 91 27610 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 27610 _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 $FNIII14 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27610 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 27610 _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 $FNIII14 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-19 . . . 27610 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27610 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 FNIII14 '[U-13C; U-15N]' . . 1 $FNIII14 . . 1 . . mM . . . . 27610 1 2 NaCl 'natural abundance' . . . . . . 137 . . mM . . . . 27610 1 3 KCl 'natural abundance' . . . . . . 2.7 . . mM . . . . 27610 1 4 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 27610 1 5 KH2PO4 'natural abundance' . . . . . . 1.4 . . mM . . . . 27610 1 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 27610 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 27610 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.163 . M 27610 1 pH 7.4 . pH 27610 1 pressure 1 . atm 27610 1 temperature 298 . K 27610 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27610 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27610 1 CCPN . . 27610 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27610 1 processing 27610 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27610 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27610 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27610 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 27610 1 2 spectrometer_2 Bruker Avance . 700 . . . 27610 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 27610 _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 . . . . . . . . . . . . . . . . . . . . . 27610 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27610 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 27610 _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 . . . . . 27610 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27610 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27610 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 27610 _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' . . . 27610 1 2 '3D HNCO' . . . 27610 1 3 '3D HNCA' . . . 27610 1 4 '3D HN(CO)CA' . . . 27610 1 5 '3D HNCACB' . . . 27610 1 6 '3D HN(COCA)CB' . . . 27610 1 7 '3D CBCA(CO)NH' . . . 27610 1 8 '3D HNHA' . . . 27610 1 9 '3D HCCH-COSY' . . . 27610 1 10 '3D HCCH-TOCSY' . . . 27610 1 11 '3D 1H-15N NOESY' . . . 27610 1 12 '3D 1H-13C NOESY' . . . 27610 1 13 '2D 1H-13C HSQC' . . . 27610 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 3 3 MET HA H 1 4.406 0.005 . 1 . . 368 . . 3 MET HA . 27610 1 2 . 1 1 3 3 MET HB2 H 1 1.851 0.017 . 2 . . 369 . . 3 MET HB2 . 27610 1 3 . 1 1 3 3 MET HB3 H 1 1.917 0.036 . 2 . . 370 . . 3 MET HB3 . 27610 1 4 . 1 1 3 3 MET HG2 H 1 2.335 0.003 . 2 . . 635 . . 3 MET HG2 . 27610 1 5 . 1 1 3 3 MET HG3 H 1 2.335 0.003 . 2 . . 636 . . 3 MET HG3 . 27610 1 6 . 1 1 3 3 MET HE1 H 1 1.855 0.003 . 1 . . 668 . . 3 MET HE1 . 27610 1 7 . 1 1 3 3 MET HE2 H 1 1.855 0.003 . 1 . . 668 . . 3 MET HE2 . 27610 1 8 . 1 1 3 3 MET HE3 H 1 1.855 0.003 . 1 . . 668 . . 3 MET HE3 . 27610 1 9 . 1 1 3 3 MET C C 13 174.514 . . 1 . . 821 . . 3 MET C . 27610 1 10 . 1 1 3 3 MET CA C 13 55.711 0.094 . 1 . . 296 . . 3 MET CA . 27610 1 11 . 1 1 3 3 MET CB C 13 33.664 0.085 . 1 . . 297 . . 3 MET CB . 27610 1 12 . 1 1 3 3 MET CG C 13 31.562 0.031 . 1 . . 313 . . 3 MET CG . 27610 1 13 . 1 1 3 3 MET CE C 13 17.595 0.019 . 1 . . 669 . . 3 MET CE . 27610 1 14 . 1 1 4 4 ASP H H 1 8.734 0.002 . 1 . . 54 . . 4 ASP H . 27610 1 15 . 1 1 4 4 ASP HA H 1 4.639 0.005 . 1 . . 367 . . 4 ASP HA . 27610 1 16 . 1 1 4 4 ASP HB2 H 1 2.689 0.012 . 2 . . 365 . . 4 ASP HB2 . 27610 1 17 . 1 1 4 4 ASP HB3 H 1 2.707 0.015 . 2 . . 366 . . 4 ASP HB3 . 27610 1 18 . 1 1 4 4 ASP C C 13 173.096 . . 1 . . 822 . . 4 ASP C . 27610 1 19 . 1 1 4 4 ASP CA C 13 53.833 0.075 . 1 . . 199 . . 4 ASP CA . 27610 1 20 . 1 1 4 4 ASP CB C 13 40.902 0.064 . 1 . . 200 . . 4 ASP CB . 27610 1 21 . 1 1 4 4 ASP N N 15 122.662 0.046 . 1 . . 55 . . 4 ASP N . 27610 1 22 . 1 1 5 5 ALA H H 1 7.839 0.002 . 1 . . 42 . . 5 ALA H . 27610 1 23 . 1 1 5 5 ALA HA H 1 4.840 0.003 . 1 . . 710 . . 5 ALA HA . 27610 1 24 . 1 1 5 5 ALA HB1 H 1 1.468 0.003 . 1 . . 709 . . 5 ALA HB1 . 27610 1 25 . 1 1 5 5 ALA HB2 H 1 1.468 0.003 . 1 . . 709 . . 5 ALA HB2 . 27610 1 26 . 1 1 5 5 ALA HB3 H 1 1.468 0.003 . 1 . . 709 . . 5 ALA HB3 . 27610 1 27 . 1 1 5 5 ALA CA C 13 50.050 0.046 . 1 . . 259 . . 5 ALA CA . 27610 1 28 . 1 1 5 5 ALA CB C 13 19.465 0.054 . 1 . . 260 . . 5 ALA CB . 27610 1 29 . 1 1 5 5 ALA N N 15 120.553 0.05 . 1 . . 43 . . 5 ALA N . 27610 1 30 . 1 1 6 6 PRO HA H 1 4.748 0.014 . 1 . . 371 . . 6 PRO HA . 27610 1 31 . 1 1 6 6 PRO HB2 H 1 2.277 0.005 . 2 . . 372 . . 6 PRO HB2 . 27610 1 32 . 1 1 6 6 PRO HB3 H 1 1.863 0.006 . 2 . . 373 . . 6 PRO HB3 . 27610 1 33 . 1 1 6 6 PRO HG2 H 1 1.657 0.006 . 2 . . 637 . . 6 PRO HG2 . 27610 1 34 . 1 1 6 6 PRO HG3 H 1 1.657 0.006 . 2 . . 638 . . 6 PRO HG3 . 27610 1 35 . 1 1 6 6 PRO HD2 H 1 3.837 0.008 . 2 . . 805 . . 6 PRO HD2 . 27610 1 36 . 1 1 6 6 PRO HD3 H 1 3.835 0.006 . 2 . . 806 . . 6 PRO HD3 . 27610 1 37 . 1 1 6 6 PRO C C 13 173.222 . . 1 . . 823 . . 6 PRO C . 27610 1 38 . 1 1 6 6 PRO CA C 13 62.616 0.085 . 1 . . 247 . . 6 PRO CA . 27610 1 39 . 1 1 6 6 PRO CB C 13 32.055 0.105 . 1 . . 248 . . 6 PRO CB . 27610 1 40 . 1 1 6 6 PRO CG C 13 27.891 0.057 . 1 . . 314 . . 6 PRO CG . 27610 1 41 . 1 1 6 6 PRO CD C 13 50.047 0.004 . 1 . . 804 . . 6 PRO CD . 27610 1 42 . 1 1 7 7 SER H H 1 8.878 0.001 . 1 . . 38 . . 7 SER H . 27610 1 43 . 1 1 7 7 SER HA H 1 4.875 0.01 . 1 . . 374 . . 7 SER HA . 27610 1 44 . 1 1 7 7 SER HB2 H 1 3.959 0.009 . 2 . . 375 . . 7 SER HB2 . 27610 1 45 . 1 1 7 7 SER HB3 H 1 3.761 0.005 . 2 . . 376 . . 7 SER HB3 . 27610 1 46 . 1 1 7 7 SER C C 13 173.017 . . 1 . . 824 . . 7 SER C . 27610 1 47 . 1 1 7 7 SER CA C 13 57.645 0.041 . 1 . . 146 . . 7 SER CA . 27610 1 48 . 1 1 7 7 SER CB C 13 67.447 0.085 . 1 . . 145 . . 7 SER CB . 27610 1 49 . 1 1 7 7 SER N N 15 113.066 0.028 . 1 . . 39 . . 7 SER N . 27610 1 50 . 1 1 8 8 ASN H H 1 9.081 0.005 . 1 . . 112 . . 8 ASN H . 27610 1 51 . 1 1 8 8 ASN HA H 1 4.227 0.008 . 1 . . 526 . . 8 ASN HA . 27610 1 52 . 1 1 8 8 ASN HB2 H 1 2.934 0.007 . 2 . . 527 . . 8 ASN HB2 . 27610 1 53 . 1 1 8 8 ASN HB3 H 1 2.620 0.013 . 2 . . 528 . . 8 ASN HB3 . 27610 1 54 . 1 1 8 8 ASN HD21 H 1 7.292 0.001 . 1 . . 815 . . 8 ASN HD21 . 27610 1 55 . 1 1 8 8 ASN HD22 H 1 6.847 0.001 . 1 . . 816 . . 8 ASN HD22 . 27610 1 56 . 1 1 8 8 ASN C C 13 173.086 . . 1 . . 825 . . 8 ASN C . 27610 1 57 . 1 1 8 8 ASN CA C 13 54.127 0.094 . 1 . . 147 . . 8 ASN CA . 27610 1 58 . 1 1 8 8 ASN CB C 13 37.505 0.073 . 1 . . 148 . . 8 ASN CB . 27610 1 59 . 1 1 8 8 ASN CG C 13 178.260 0.012 . 1 . . 895 . . 8 ASN CG . 27610 1 60 . 1 1 8 8 ASN N N 15 116.637 0.043 . 1 . . 142 . . 8 ASN N . 27610 1 61 . 1 1 8 8 ASN ND2 N 15 112.043 0.015 . 1 . . 113 . . 8 ASN ND2 . 27610 1 62 . 1 1 9 9 LEU H H 1 8.072 0.005 . 1 . . 94 . . 9 LEU H . 27610 1 63 . 1 1 9 9 LEU HA H 1 4.707 0.009 . 1 . . 377 . . 9 LEU HA . 27610 1 64 . 1 1 9 9 LEU HB2 H 1 1.657 0.007 . 2 . . 378 . . 9 LEU HB2 . 27610 1 65 . 1 1 9 9 LEU HB3 H 1 1.158 0.011 . 2 . . 379 . . 9 LEU HB3 . 27610 1 66 . 1 1 9 9 LEU HG H 1 1.008 0.003 . 1 . . 673 . . 9 LEU HG . 27610 1 67 . 1 1 9 9 LEU HD11 H 1 0.527 0.001 . 2 . . 671 . . 9 LEU HD11 . 27610 1 68 . 1 1 9 9 LEU HD12 H 1 0.527 0.001 . 2 . . 671 . . 9 LEU HD12 . 27610 1 69 . 1 1 9 9 LEU HD13 H 1 0.527 0.001 . 2 . . 671 . . 9 LEU HD13 . 27610 1 70 . 1 1 9 9 LEU HD21 H 1 0.676 0.004 . 2 . . 676 . . 9 LEU HD21 . 27610 1 71 . 1 1 9 9 LEU HD22 H 1 0.676 0.004 . 2 . . 676 . . 9 LEU HD22 . 27610 1 72 . 1 1 9 9 LEU HD23 H 1 0.676 0.004 . 2 . . 676 . . 9 LEU HD23 . 27610 1 73 . 1 1 9 9 LEU C C 13 177.373 . . 1 . . 826 . . 9 LEU C . 27610 1 74 . 1 1 9 9 LEU CA C 13 55.634 0.048 . 1 . . 246 . . 9 LEU CA . 27610 1 75 . 1 1 9 9 LEU CB C 13 42.204 0.072 . 1 . . 245 . . 9 LEU CB . 27610 1 76 . 1 1 9 9 LEU CG C 13 26.615 0.089 . 1 . . 674 . . 9 LEU CG . 27610 1 77 . 1 1 9 9 LEU CD1 C 13 26.813 0.094 . 2 . . 672 . . 9 LEU CD1 . 27610 1 78 . 1 1 9 9 LEU CD2 C 13 24.160 . . 2 . . 675 . . 9 LEU CD2 . 27610 1 79 . 1 1 9 9 LEU N N 15 121.789 0.081 . 1 . . 95 . . 9 LEU N . 27610 1 80 . 1 1 10 10 ARG H H 1 9.224 0.002 . 1 . . 58 . . 10 ARG H . 27610 1 81 . 1 1 10 10 ARG HA H 1 4.597 0.008 . 1 . . 380 . . 10 ARG HA . 27610 1 82 . 1 1 10 10 ARG HB2 H 1 1.595 0.017 . 2 . . 381 . . 10 ARG HB2 . 27610 1 83 . 1 1 10 10 ARG HB3 H 1 1.656 0.026 . 2 . . 382 . . 10 ARG HB3 . 27610 1 84 . 1 1 10 10 ARG HG2 H 1 1.531 0.017 . 1 . . 639 . . 10 ARG HG2 . 27610 1 85 . 1 1 10 10 ARG HG3 H 1 1.531 0.017 . 1 . . 640 . . 10 ARG HG3 . 27610 1 86 . 1 1 10 10 ARG HD2 H 1 3.120 0.019 . 1 . . 579 . . 10 ARG HD2 . 27610 1 87 . 1 1 10 10 ARG HD3 H 1 3.120 0.019 . 1 . . 580 . . 10 ARG HD3 . 27610 1 88 . 1 1 10 10 ARG C C 13 174.172 . . 1 . . 827 . . 10 ARG C . 27610 1 89 . 1 1 10 10 ARG CA C 13 54.678 0.084 . 1 . . 193 . . 10 ARG CA . 27610 1 90 . 1 1 10 10 ARG CB C 13 33.965 0.055 . 1 . . 194 . . 10 ARG CB . 27610 1 91 . 1 1 10 10 ARG CG C 13 27.128 0.075 . 1 . . 315 . . 10 ARG CG . 27610 1 92 . 1 1 10 10 ARG CD C 13 43.757 0.042 . 1 . . 545 . . 10 ARG CD . 27610 1 93 . 1 1 10 10 ARG N N 15 127.902 0.049 . 1 . . 59 . . 10 ARG N . 27610 1 94 . 1 1 11 11 PHE H H 1 8.734 0.001 . 1 . . 44 . . 11 PHE H . 27610 1 95 . 1 1 11 11 PHE HA H 1 5.181 0.004 . 1 . . 383 . . 11 PHE HA . 27610 1 96 . 1 1 11 11 PHE HB2 H 1 2.939 0.023 . 2 . . 384 . . 11 PHE HB2 . 27610 1 97 . 1 1 11 11 PHE HB3 H 1 2.880 0.021 . 2 . . 385 . . 11 PHE HB3 . 27610 1 98 . 1 1 11 11 PHE HD1 H 1 7.109 0.002 . 1 . . 943 . . 11 PHE HD1 . 27610 1 99 . 1 1 11 11 PHE HD2 H 1 7.109 0.002 . 1 . . 943 . . 11 PHE HD2 . 27610 1 100 . 1 1 11 11 PHE HE1 H 1 7.221 0.004 . 1 . . 939 . . 11 PHE HE1 . 27610 1 101 . 1 1 11 11 PHE HE2 H 1 7.221 0.004 . 1 . . 939 . . 11 PHE HE2 . 27610 1 102 . 1 1 11 11 PHE C C 13 176.165 . . 1 . . 828 . . 11 PHE C . 27610 1 103 . 1 1 11 11 PHE CA C 13 56.803 0.051 . 1 . . 192 . . 11 PHE CA . 27610 1 104 . 1 1 11 11 PHE CB C 13 40.421 0.017 . 1 . . 191 . . 11 PHE CB . 27610 1 105 . 1 1 11 11 PHE CD1 C 13 132.003 0.35 . 1 . . 938 . . 11 PHE CD1 . 27610 1 106 . 1 1 11 11 PHE CD2 C 13 132.003 0.35 . 1 . . 938 . . 11 PHE CD2 . 27610 1 107 . 1 1 11 11 PHE CE1 C 13 131.548 0.492 . 1 . . 942 . . 11 PHE CE1 . 27610 1 108 . 1 1 11 11 PHE CE2 C 13 131.548 0.492 . 1 . . 942 . . 11 PHE CE2 . 27610 1 109 . 1 1 11 11 PHE N N 15 119.496 0.051 . 1 . . 45 . . 11 PHE N . 27610 1 110 . 1 1 12 12 LEU H H 1 8.811 0.003 . 1 . . 34 . . 12 LEU H . 27610 1 111 . 1 1 12 12 LEU HA H 1 4.423 0.005 . 1 . . 386 . . 12 LEU HA . 27610 1 112 . 1 1 12 12 LEU HB2 H 1 1.540 0.026 . 2 . . 387 . . 12 LEU HB2 . 27610 1 113 . 1 1 12 12 LEU HB3 H 1 1.625 0.022 . 2 . . 388 . . 12 LEU HB3 . 27610 1 114 . 1 1 12 12 LEU HG H 1 1.416 0.013 . 1 . . 641 . . 12 LEU HG . 27610 1 115 . 1 1 12 12 LEU HD11 H 1 0.815 0.004 . 2 . . 749 . . 12 LEU HD11 . 27610 1 116 . 1 1 12 12 LEU HD12 H 1 0.815 0.004 . 2 . . 749 . . 12 LEU HD12 . 27610 1 117 . 1 1 12 12 LEU HD13 H 1 0.815 0.004 . 2 . . 749 . . 12 LEU HD13 . 27610 1 118 . 1 1 12 12 LEU HD21 H 1 0.777 0.008 . 2 . . 750 . . 12 LEU HD21 . 27610 1 119 . 1 1 12 12 LEU HD22 H 1 0.777 0.008 . 2 . . 750 . . 12 LEU HD22 . 27610 1 120 . 1 1 12 12 LEU HD23 H 1 0.777 0.008 . 2 . . 750 . . 12 LEU HD23 . 27610 1 121 . 1 1 12 12 LEU C C 13 176.462 . . 1 . . 829 . . 12 LEU C . 27610 1 122 . 1 1 12 12 LEU CA C 13 55.157 0.066 . 1 . . 243 . . 12 LEU CA . 27610 1 123 . 1 1 12 12 LEU CB C 13 43.558 0.06 . 1 . . 244 . . 12 LEU CB . 27610 1 124 . 1 1 12 12 LEU CG C 13 27.432 0.083 . 1 . . 356 . . 12 LEU CG . 27610 1 125 . 1 1 12 12 LEU CD1 C 13 24.765 0.068 . 2 . . 546 . . 12 LEU CD1 . 27610 1 126 . 1 1 12 12 LEU CD2 C 13 23.449 0.075 . 2 . . 547 . . 12 LEU CD2 . 27610 1 127 . 1 1 12 12 LEU N N 15 124.785 0.039 . 1 . . 35 . . 12 LEU N . 27610 1 128 . 1 1 13 13 ALA H H 1 8.197 0.003 . 1 . . 239 . . 13 ALA H . 27610 1 129 . 1 1 13 13 ALA HA H 1 4.651 0.004 . 1 . . 389 . . 13 ALA HA . 27610 1 130 . 1 1 13 13 ALA HB1 H 1 1.382 0.003 . 1 . . 390 . . 13 ALA HB1 . 27610 1 131 . 1 1 13 13 ALA HB2 H 1 1.382 0.003 . 1 . . 390 . . 13 ALA HB2 . 27610 1 132 . 1 1 13 13 ALA HB3 H 1 1.382 0.003 . 1 . . 390 . . 13 ALA HB3 . 27610 1 133 . 1 1 13 13 ALA C C 13 176.607 . . 1 . . 830 . . 13 ALA C . 27610 1 134 . 1 1 13 13 ALA CA C 13 52.539 0.085 . 1 . . 241 . . 13 ALA CA . 27610 1 135 . 1 1 13 13 ALA CB C 13 19.766 0.092 . 1 . . 242 . . 13 ALA CB . 27610 1 136 . 1 1 13 13 ALA N N 15 122.936 0.057 . 1 . . 240 . . 13 ALA N . 27610 1 137 . 1 1 14 14 THR H H 1 8.330 0.004 . 1 . . 134 . . 14 THR H . 27610 1 138 . 1 1 14 14 THR HA H 1 4.649 0.005 . 1 . . 391 . . 14 THR HA . 27610 1 139 . 1 1 14 14 THR HB H 1 4.154 0.004 . 1 . . 392 . . 14 THR HB . 27610 1 140 . 1 1 14 14 THR HG21 H 1 1.189 0.006 . 1 . . 581 . . 14 THR HG21 . 27610 1 141 . 1 1 14 14 THR HG22 H 1 1.189 0.006 . 1 . . 581 . . 14 THR HG22 . 27610 1 142 . 1 1 14 14 THR HG23 H 1 1.189 0.006 . 1 . . 581 . . 14 THR HG23 . 27610 1 143 . 1 1 14 14 THR C C 13 174.074 . . 1 . . 831 . . 14 THR C . 27610 1 144 . 1 1 14 14 THR CA C 13 61.624 0.041 . 1 . . 204 . . 14 THR CA . 27610 1 145 . 1 1 14 14 THR CB C 13 70.162 0.05 . 1 . . 203 . . 14 THR CB . 27610 1 146 . 1 1 14 14 THR CG2 C 13 21.680 0.152 . 1 . . 316 . . 14 THR CG2 . 27610 1 147 . 1 1 14 14 THR N N 15 116.645 0.037 . 1 . . 135 . . 14 THR N . 27610 1 148 . 1 1 15 15 THR H H 1 8.601 0.001 . 1 . . 88 . . 15 THR H . 27610 1 149 . 1 1 15 15 THR HA H 1 4.780 0.004 . 1 . . 737 . . 15 THR HA . 27610 1 150 . 1 1 15 15 THR HB H 1 4.589 0.005 . 1 . . 738 . . 15 THR HB . 27610 1 151 . 1 1 15 15 THR HG21 H 1 1.189 0.003 . 1 . . 740 . . 15 THR HG21 . 27610 1 152 . 1 1 15 15 THR HG22 H 1 1.189 0.003 . 1 . . 740 . . 15 THR HG22 . 27610 1 153 . 1 1 15 15 THR HG23 H 1 1.189 0.003 . 1 . . 740 . . 15 THR HG23 . 27610 1 154 . 1 1 15 15 THR CA C 13 60.154 0.046 . 1 . . 237 . . 15 THR CA . 27610 1 155 . 1 1 15 15 THR CB C 13 69.412 0.049 . 1 . . 238 . . 15 THR CB . 27610 1 156 . 1 1 15 15 THR CG2 C 13 21.503 0.003 . 1 . . 739 . . 15 THR CG2 . 27610 1 157 . 1 1 15 15 THR N N 15 116.002 0.047 . 1 . . 89 . . 15 THR N . 27610 1 158 . 1 1 16 16 PRO HA H 1 4.562 0.01 . 1 . . 393 . . 16 PRO HA . 27610 1 159 . 1 1 16 16 PRO HB2 H 1 2.417 0.01 . 2 . . 394 . . 16 PRO HB2 . 27610 1 160 . 1 1 16 16 PRO HB3 H 1 1.767 0.007 . 2 . . 395 . . 16 PRO HB3 . 27610 1 161 . 1 1 16 16 PRO HG2 H 1 2.007 0.029 . 2 . . 642 . . 16 PRO HG2 . 27610 1 162 . 1 1 16 16 PRO HG3 H 1 2.120 0.003 . 2 . . 677 . . 16 PRO HG3 . 27610 1 163 . 1 1 16 16 PRO C C 13 175.556 . . 1 . . 832 . . 16 PRO C . 27610 1 164 . 1 1 16 16 PRO CA C 13 64.989 0.075 . 1 . . 262 . . 16 PRO CA . 27610 1 165 . 1 1 16 16 PRO CB C 13 32.181 0.048 . 1 . . 261 . . 16 PRO CB . 27610 1 166 . 1 1 16 16 PRO CG C 13 28.323 0.002 . 1 . . 317 . . 16 PRO CG . 27610 1 167 . 1 1 17 17 ASN H H 1 7.791 0.003 . 1 . . 14 . . 17 ASN H . 27610 1 168 . 1 1 17 17 ASN HA H 1 4.733 0.014 . 1 . . 396 . . 17 ASN HA . 27610 1 169 . 1 1 17 17 ASN HB2 H 1 3.035 0.01 . 2 . . 397 . . 17 ASN HB2 . 27610 1 170 . 1 1 17 17 ASN HB3 H 1 2.764 0.008 . 2 . . 398 . . 17 ASN HB3 . 27610 1 171 . 1 1 17 17 ASN HD21 H 1 7.595 0.003 . 1 . . 20 . . 17 ASN HD21 . 27610 1 172 . 1 1 17 17 ASN HD22 H 1 6.976 0.01 . 1 . . 71 . . 17 ASN HD22 . 27610 1 173 . 1 1 17 17 ASN C C 13 174.165 . . 1 . . 833 . . 17 ASN C . 27610 1 174 . 1 1 17 17 ASN CA C 13 52.144 0.058 . 1 . . 179 . . 17 ASN CA . 27610 1 175 . 1 1 17 17 ASN CB C 13 40.690 0.079 . 1 . . 298 . . 17 ASN CB . 27610 1 176 . 1 1 17 17 ASN CG C 13 178.077 0.005 . 1 . . 894 . . 17 ASN CG . 27610 1 177 . 1 1 17 17 ASN N N 15 108.905 0.049 . 1 . . 15 . . 17 ASN N . 27610 1 178 . 1 1 17 17 ASN ND2 N 15 110.759 0.065 . 1 . . 21 . . 17 ASN ND2 . 27610 1 179 . 1 1 18 18 SER H H 1 7.750 0.004 . 1 . . 67 . . 18 SER H . 27610 1 180 . 1 1 18 18 SER HA H 1 5.324 0.006 . 1 . . 529 . . 18 SER HA . 27610 1 181 . 1 1 18 18 SER HB2 H 1 3.682 0.005 . 2 . . 530 . . 18 SER HB2 . 27610 1 182 . 1 1 18 18 SER HB3 H 1 3.682 0.005 . 2 . . 531 . . 18 SER HB3 . 27610 1 183 . 1 1 18 18 SER C C 13 171.572 . . 1 . . 834 . . 18 SER C . 27610 1 184 . 1 1 18 18 SER CA C 13 57.340 0.055 . 1 . . 177 . . 18 SER CA . 27610 1 185 . 1 1 18 18 SER CB C 13 67.117 0.039 . 1 . . 178 . . 18 SER CB . 27610 1 186 . 1 1 18 18 SER N N 15 113.572 0.052 . 1 . . 68 . . 18 SER N . 27610 1 187 . 1 1 19 19 LEU H H 1 8.538 0.012 . 1 . . 69 . . 19 LEU H . 27610 1 188 . 1 1 19 19 LEU HA H 1 4.876 0.003 . 1 . . 399 . . 19 LEU HA . 27610 1 189 . 1 1 19 19 LEU HB2 H 1 1.330 0.018 . 2 . . 400 . . 19 LEU HB2 . 27610 1 190 . 1 1 19 19 LEU HB3 H 1 1.384 0.016 . 2 . . 401 . . 19 LEU HB3 . 27610 1 191 . 1 1 19 19 LEU HG H 1 0.618 0.007 . 1 . . 963 . . 19 LEU HG . 27610 1 192 . 1 1 19 19 LEU HD11 H 1 0.759 0.009 . 1 . . 965 . . 19 LEU HD11 . 27610 1 193 . 1 1 19 19 LEU HD12 H 1 0.759 0.009 . 1 . . 965 . . 19 LEU HD12 . 27610 1 194 . 1 1 19 19 LEU HD13 H 1 0.759 0.009 . 1 . . 965 . . 19 LEU HD13 . 27610 1 195 . 1 1 19 19 LEU C C 13 174.082 . . 1 . . 835 . . 19 LEU C . 27610 1 196 . 1 1 19 19 LEU CA C 13 53.775 0.059 . 1 . . 175 . . 19 LEU CA . 27610 1 197 . 1 1 19 19 LEU CB C 13 47.728 0.028 . 1 . . 176 . . 19 LEU CB . 27610 1 198 . 1 1 19 19 LEU CG C 13 25.964 0.02 . 1 . . 962 . . 19 LEU CG . 27610 1 199 . 1 1 19 19 LEU CD1 C 13 24.906 0.014 . 1 . . 964 . . 19 LEU CD1 . 27610 1 200 . 1 1 19 19 LEU N N 15 119.027 0.063 . 1 . . 70 . . 19 LEU N . 27610 1 201 . 1 1 20 20 LEU H H 1 8.861 0.001 . 1 . . 72 . . 20 LEU H . 27610 1 202 . 1 1 20 20 LEU HA H 1 5.094 0.008 . 1 . . 402 . . 20 LEU HA . 27610 1 203 . 1 1 20 20 LEU HB2 H 1 1.894 0.008 . 2 . . 403 . . 20 LEU HB2 . 27610 1 204 . 1 1 20 20 LEU HB3 H 1 1.378 0.01 . 2 . . 404 . . 20 LEU HB3 . 27610 1 205 . 1 1 20 20 LEU HG H 1 1.375 0.001 . 1 . . 966 . . 20 LEU HG . 27610 1 206 . 1 1 20 20 LEU HD11 H 1 0.763 0.011 . 1 . . 582 . . 20 LEU HD11 . 27610 1 207 . 1 1 20 20 LEU HD12 H 1 0.763 0.011 . 1 . . 582 . . 20 LEU HD12 . 27610 1 208 . 1 1 20 20 LEU HD13 H 1 0.763 0.011 . 1 . . 582 . . 20 LEU HD13 . 27610 1 209 . 1 1 20 20 LEU C C 13 175.590 . . 1 . . 836 . . 20 LEU C . 27610 1 210 . 1 1 20 20 LEU CA C 13 54.713 0.054 . 1 . . 173 . . 20 LEU CA . 27610 1 211 . 1 1 20 20 LEU CB C 13 43.398 0.089 . 1 . . 174 . . 20 LEU CB . 27610 1 212 . 1 1 20 20 LEU CG C 13 28.040 0.158 . 1 . . 548 . . 20 LEU CG . 27610 1 213 . 1 1 20 20 LEU CD1 C 13 25.761 0.067 . 1 . . 549 . . 20 LEU CD1 . 27610 1 214 . 1 1 20 20 LEU N N 15 126.542 0.06 . 1 . . 73 . . 20 LEU N . 27610 1 215 . 1 1 21 21 VAL H H 1 9.045 0.004 . 1 . . 24 . . 21 VAL H . 27610 1 216 . 1 1 21 21 VAL HA H 1 5.097 0.013 . 1 . . 405 . . 21 VAL HA . 27610 1 217 . 1 1 21 21 VAL HB H 1 2.025 0.005 . 1 . . 406 . . 21 VAL HB . 27610 1 218 . 1 1 21 21 VAL HG11 H 1 0.806 0.014 . 2 . . 583 . . 21 VAL HG11 . 27610 1 219 . 1 1 21 21 VAL HG12 H 1 0.806 0.014 . 2 . . 583 . . 21 VAL HG12 . 27610 1 220 . 1 1 21 21 VAL HG13 H 1 0.806 0.014 . 2 . . 583 . . 21 VAL HG13 . 27610 1 221 . 1 1 21 21 VAL HG21 H 1 0.929 0.002 . 2 . . 941 . . 21 VAL HG21 . 27610 1 222 . 1 1 21 21 VAL HG22 H 1 0.929 0.002 . 2 . . 941 . . 21 VAL HG22 . 27610 1 223 . 1 1 21 21 VAL HG23 H 1 0.929 0.002 . 2 . . 941 . . 21 VAL HG23 . 27610 1 224 . 1 1 21 21 VAL C C 13 173.570 . . 1 . . 837 . . 21 VAL C . 27610 1 225 . 1 1 21 21 VAL CA C 13 59.103 0.064 . 1 . . 171 . . 21 VAL CA . 27610 1 226 . 1 1 21 21 VAL CB C 13 34.571 0.056 . 1 . . 172 . . 21 VAL CB . 27610 1 227 . 1 1 21 21 VAL CG1 C 13 22.660 0.086 . 2 . . 318 . . 21 VAL CG1 . 27610 1 228 . 1 1 21 21 VAL CG2 C 13 20.244 0.005 . 2 . . 940 . . 21 VAL CG2 . 27610 1 229 . 1 1 21 21 VAL N N 15 124.396 0.052 . 1 . . 25 . . 21 VAL N . 27610 1 230 . 1 1 22 22 SER H H 1 8.777 0.004 . 1 . . 36 . . 22 SER H . 27610 1 231 . 1 1 22 22 SER HA H 1 5.220 0.007 . 1 . . 407 . . 22 SER HA . 27610 1 232 . 1 1 22 22 SER HB2 H 1 3.743 0.005 . 2 . . 408 . . 22 SER HB2 . 27610 1 233 . 1 1 22 22 SER HB3 H 1 3.413 0.009 . 2 . . 409 . . 22 SER HB3 . 27610 1 234 . 1 1 22 22 SER C C 13 172.424 . . 1 . . 838 . . 22 SER C . 27610 1 235 . 1 1 22 22 SER CA C 13 56.075 0.135 . 1 . . 169 . . 22 SER CA . 27610 1 236 . 1 1 22 22 SER CB C 13 66.677 0.066 . 1 . . 170 . . 22 SER CB . 27610 1 237 . 1 1 22 22 SER N N 15 116.972 0.048 . 1 . . 37 . . 22 SER N . 27610 1 238 . 1 1 23 23 TRP H H 1 7.672 0.001 . 1 . . 22 . . 23 TRP H . 27610 1 239 . 1 1 23 23 TRP HA H 1 5.145 0.006 . 1 . . 410 . . 23 TRP HA . 27610 1 240 . 1 1 23 23 TRP HB2 H 1 3.055 0.006 . 2 . . 411 . . 23 TRP HB2 . 27610 1 241 . 1 1 23 23 TRP HB3 H 1 2.889 0.018 . 2 . . 412 . . 23 TRP HB3 . 27610 1 242 . 1 1 23 23 TRP HD1 H 1 6.568 0.006 . 1 . . 810 . . 23 TRP HD1 . 27610 1 243 . 1 1 23 23 TRP HE1 H 1 8.505 0.002 . 1 . . 809 . . 23 TRP HE1 . 27610 1 244 . 1 1 23 23 TRP HZ2 H 1 5.990 0.005 . 1 . . 813 . . 23 TRP HZ2 . 27610 1 245 . 1 1 23 23 TRP HH2 H 1 6.209 0.006 . 1 . . 957 . . 23 TRP HH2 . 27610 1 246 . 1 1 23 23 TRP C C 13 173.538 . . 1 . . 839 . . 23 TRP C . 27610 1 247 . 1 1 23 23 TRP CA C 13 56.998 0.042 . 1 . . 218 . . 23 TRP CA . 27610 1 248 . 1 1 23 23 TRP CB C 13 30.758 0.028 . 1 . . 219 . . 23 TRP CB . 27610 1 249 . 1 1 23 23 TRP CD1 C 13 124.553 0.0 . 1 . . 811 . . 23 TRP CD1 . 27610 1 250 . 1 1 23 23 TRP CZ2 C 13 113.653 0.08 . 1 . . 812 . . 23 TRP CZ2 . 27610 1 251 . 1 1 23 23 TRP CH2 C 13 123.163 0.029 . 1 . . 956 . . 23 TRP CH2 . 27610 1 252 . 1 1 23 23 TRP N N 15 119.090 0.045 . 1 . . 23 . . 23 TRP N . 27610 1 253 . 1 1 23 23 TRP NE1 N 15 125.387 0.058 . 1 . . 60 . . 23 TRP NE1 . 27610 1 254 . 1 1 24 24 GLN H H 1 9.269 0.004 . 1 . . 105 . . 24 GLN H . 27610 1 255 . 1 1 24 24 GLN HA H 1 4.943 0.005 . 1 . . 713 . . 24 GLN HA . 27610 1 256 . 1 1 24 24 GLN HB2 H 1 2.106 0.021 . 2 . . 714 . . 24 GLN HB2 . 27610 1 257 . 1 1 24 24 GLN HB3 H 1 2.186 0.013 . 2 . . 715 . . 24 GLN HB3 . 27610 1 258 . 1 1 24 24 GLN HG2 H 1 2.444 0.015 . 2 . . 717 . . 24 GLN HG2 . 27610 1 259 . 1 1 24 24 GLN HG3 H 1 2.446 0.015 . 2 . . 718 . . 24 GLN HG3 . 27610 1 260 . 1 1 24 24 GLN HE21 H 1 6.872 0.003 . 1 . . 46 . . 24 GLN HE21 . 27610 1 261 . 1 1 24 24 GLN HE22 H 1 7.618 0.002 . 1 . . 104 . . 24 GLN HE22 . 27610 1 262 . 1 1 24 24 GLN CA C 13 52.065 0.053 . 1 . . 299 . . 24 GLN CA . 27610 1 263 . 1 1 24 24 GLN CB C 13 29.350 0.135 . 1 . . 300 . . 24 GLN CB . 27610 1 264 . 1 1 24 24 GLN CG C 13 33.675 0.145 . 1 . . 716 . . 24 GLN CG . 27610 1 265 . 1 1 24 24 GLN CD C 13 180.39 0.014 . 1 . . 896 . . 24 GLN CD . 27610 1 266 . 1 1 24 24 GLN N N 15 118.839 0.054 . 1 . . 106 . . 24 GLN N . 27610 1 267 . 1 1 24 24 GLN NE2 N 15 112.625 0.042 . 1 . . 47 . . 24 GLN NE2 . 27610 1 268 . 1 1 25 25 PRO HA H 1 4.946 0.002 . 1 . . 742 . . 25 PRO HA . 27610 1 269 . 1 1 25 25 PRO HB2 H 1 2.599 0.004 . 2 . . 744 . . 25 PRO HB2 . 27610 1 270 . 1 1 25 25 PRO HB3 H 1 2.149 0.004 . 2 . . 751 . . 25 PRO HB3 . 27610 1 271 . 1 1 25 25 PRO HG2 H 1 2.113 0.002 . 2 . . 753 . . 25 PRO HG2 . 27610 1 272 . 1 1 25 25 PRO HG3 H 1 2.116 0.005 . 2 . . 754 . . 25 PRO HG3 . 27610 1 273 . 1 1 25 25 PRO HD2 H 1 3.837 0.024 . 2 . . 746 . . 25 PRO HD2 . 27610 1 274 . 1 1 25 25 PRO HD3 H 1 3.889 0.012 . 2 . . 747 . . 25 PRO HD3 . 27610 1 275 . 1 1 25 25 PRO CA C 13 61.932 0.048 . 1 . . 741 . . 25 PRO CA . 27610 1 276 . 1 1 25 25 PRO CB C 13 31.562 0.024 . 1 . . 743 . . 25 PRO CB . 27610 1 277 . 1 1 25 25 PRO CG C 13 27.729 0.046 . 1 . . 752 . . 25 PRO CG . 27610 1 278 . 1 1 25 25 PRO CD C 13 51.288 0.011 . 1 . . 745 . . 25 PRO CD . 27610 1 279 . 1 1 26 26 PRO HA H 1 4.531 0.004 . 1 . . 413 . . 26 PRO HA . 27610 1 280 . 1 1 26 26 PRO HB2 H 1 2.085 0.006 . 2 . . 414 . . 26 PRO HB2 . 27610 1 281 . 1 1 26 26 PRO HB3 H 1 1.934 0.002 . 2 . . 415 . . 26 PRO HB3 . 27610 1 282 . 1 1 26 26 PRO HG2 H 1 1.661 0.004 . 1 . . 643 . . 26 PRO HG2 . 27610 1 283 . 1 1 26 26 PRO HG3 H 1 1.661 0.004 . 1 . . 644 . . 26 PRO HG3 . 27610 1 284 . 1 1 26 26 PRO HD2 H 1 3.949 0.009 . 2 . . 670 . . 26 PRO HD2 . 27610 1 285 . 1 1 26 26 PRO HD3 H 1 3.688 0.01 . 2 . . 803 . . 26 PRO HD3 . 27610 1 286 . 1 1 26 26 PRO C C 13 175.912 . . 1 . . 840 . . 26 PRO C . 27610 1 287 . 1 1 26 26 PRO CA C 13 62.149 0.048 . 1 . . 258 . . 26 PRO CA . 27610 1 288 . 1 1 26 26 PRO CB C 13 32.199 0.017 . 1 . . 257 . . 26 PRO CB . 27610 1 289 . 1 1 26 26 PRO CG C 13 27.702 0.002 . 1 . . 319 . . 26 PRO CG . 27610 1 290 . 1 1 26 26 PRO CD C 13 50.756 0.037 . 1 . . 551 . . 26 PRO CD . 27610 1 291 . 1 1 27 27 ARG H H 1 10.038 0.007 . 1 . . 253 . . 27 ARG H . 27610 1 292 . 1 1 27 27 ARG HA H 1 4.237 0.02 . 1 . . 532 . . 27 ARG HA . 27610 1 293 . 1 1 27 27 ARG HB2 H 1 1.827 0.009 . 2 . . 416 . . 27 ARG HB2 . 27610 1 294 . 1 1 27 27 ARG HB3 H 1 1.852 0.011 . 2 . . 417 . . 27 ARG HB3 . 27610 1 295 . 1 1 27 27 ARG HG2 H 1 1.675 0.013 . 2 . . 586 . . 27 ARG HG2 . 27610 1 296 . 1 1 27 27 ARG HG3 H 1 1.737 0.023 . 2 . . 587 . . 27 ARG HG3 . 27610 1 297 . 1 1 27 27 ARG HD2 H 1 3.229 0.003 . 2 . . 584 . . 27 ARG HD2 . 27610 1 298 . 1 1 27 27 ARG HD3 H 1 3.229 0.003 . 2 . . 585 . . 27 ARG HD3 . 27610 1 299 . 1 1 27 27 ARG C C 13 177.471 . . 1 . . 841 . . 27 ARG C . 27610 1 300 . 1 1 27 27 ARG CA C 13 57.137 0.041 . 1 . . 255 . . 27 ARG CA . 27610 1 301 . 1 1 27 27 ARG CB C 13 29.732 0.058 . 1 . . 256 . . 27 ARG CB . 27610 1 302 . 1 1 27 27 ARG CG C 13 27.626 0.075 . 1 . . 320 . . 27 ARG CG . 27610 1 303 . 1 1 27 27 ARG CD C 13 43.399 0.007 . 1 . . 550 . . 27 ARG CD . 27610 1 304 . 1 1 27 27 ARG N N 15 123.402 0.043 . 1 . . 254 . . 27 ARG N . 27610 1 305 . 1 1 28 28 ALA H H 1 8.038 0.004 . 1 . . 249 . . 28 ALA H . 27610 1 306 . 1 1 28 28 ALA HA H 1 4.263 0.002 . 1 . . 712 . . 28 ALA HA . 27610 1 307 . 1 1 28 28 ALA HB1 H 1 1.334 0.004 . 1 . . 711 . . 28 ALA HB1 . 27610 1 308 . 1 1 28 28 ALA HB2 H 1 1.334 0.004 . 1 . . 711 . . 28 ALA HB2 . 27610 1 309 . 1 1 28 28 ALA HB3 H 1 1.334 0.004 . 1 . . 711 . . 28 ALA HB3 . 27610 1 310 . 1 1 28 28 ALA CA C 13 51.586 0.067 . 1 . . 251 . . 28 ALA CA . 27610 1 311 . 1 1 28 28 ALA CB C 13 20.547 0.029 . 1 . . 252 . . 28 ALA CB . 27610 1 312 . 1 1 28 28 ALA N N 15 122.003 0.054 . 1 . . 250 . . 28 ALA N . 27610 1 313 . 1 1 29 29 ARG HA H 1 4.296 0.004 . 1 . . 418 . . 29 ARG HA . 27610 1 314 . 1 1 29 29 ARG HB2 H 1 1.752 0.005 . 2 . . 419 . . 29 ARG HB2 . 27610 1 315 . 1 1 29 29 ARG HB3 H 1 1.752 0.005 . 2 . . 420 . . 29 ARG HB3 . 27610 1 316 . 1 1 29 29 ARG HG2 H 1 1.559 0.0 . 1 . . 645 . . 29 ARG HG2 . 27610 1 317 . 1 1 29 29 ARG HG3 H 1 1.559 0.0 . 1 . . 646 . . 29 ARG HG3 . 27610 1 318 . 1 1 29 29 ARG HD2 H 1 3.235 0.003 . 1 . . 647 . . 29 ARG HD2 . 27610 1 319 . 1 1 29 29 ARG HD3 H 1 3.235 0.003 . 1 . . 648 . . 29 ARG HD3 . 27610 1 320 . 1 1 29 29 ARG C C 13 176.048 . . 1 . . 843 . . 29 ARG C . 27610 1 321 . 1 1 29 29 ARG CA C 13 56.609 0.028 . 1 . . 236 . . 29 ARG CA . 27610 1 322 . 1 1 29 29 ARG CB C 13 29.635 0.065 . 1 . . 301 . . 29 ARG CB . 27610 1 323 . 1 1 29 29 ARG CG C 13 27.285 0.001 . 1 . . 321 . . 29 ARG CG . 27610 1 324 . 1 1 30 30 ILE H H 1 7.896 0.003 . 1 . . 108 . . 30 ILE H . 27610 1 325 . 1 1 30 30 ILE HA H 1 4.721 0.006 . 1 . . 421 . . 30 ILE HA . 27610 1 326 . 1 1 30 30 ILE HB H 1 2.361 0.006 . 1 . . 422 . . 30 ILE HB . 27610 1 327 . 1 1 30 30 ILE HG12 H 1 1.170 0.011 . 2 . . 588 . . 30 ILE HG12 . 27610 1 328 . 1 1 30 30 ILE HG13 H 1 1.137 0.0 . 2 . . 961 . . 30 ILE HG13 . 27610 1 329 . 1 1 30 30 ILE HG21 H 1 0.752 0.007 . 1 . . 590 . . 30 ILE HG21 . 27610 1 330 . 1 1 30 30 ILE HG22 H 1 0.752 0.007 . 1 . . 590 . . 30 ILE HG22 . 27610 1 331 . 1 1 30 30 ILE HG23 H 1 0.752 0.007 . 1 . . 590 . . 30 ILE HG23 . 27610 1 332 . 1 1 30 30 ILE HD11 H 1 0.606 0.003 . 1 . . 589 . . 30 ILE HD11 . 27610 1 333 . 1 1 30 30 ILE HD12 H 1 0.606 0.003 . 1 . . 589 . . 30 ILE HD12 . 27610 1 334 . 1 1 30 30 ILE HD13 H 1 0.606 0.003 . 1 . . 589 . . 30 ILE HD13 . 27610 1 335 . 1 1 30 30 ILE C C 13 176.520 . . 1 . . 842 . . 30 ILE C . 27610 1 336 . 1 1 30 30 ILE CA C 13 60.018 0.043 . 1 . . 167 . . 30 ILE CA . 27610 1 337 . 1 1 30 30 ILE CB C 13 41.439 0.019 . 1 . . 168 . . 30 ILE CB . 27610 1 338 . 1 1 30 30 ILE CG1 C 13 25.618 0.042 . 1 . . 357 . . 30 ILE CG1 . 27610 1 339 . 1 1 30 30 ILE CG2 C 13 19.186 0.106 . 1 . . 358 . . 30 ILE CG2 . 27610 1 340 . 1 1 30 30 ILE CD1 C 13 14.677 0.037 . 1 . . 552 . . 30 ILE CD1 . 27610 1 341 . 1 1 30 30 ILE N N 15 117.628 0.067 . 1 . . 109 . . 30 ILE N . 27610 1 342 . 1 1 31 31 THR H H 1 9.453 0.003 . 1 . . 76 . . 31 THR H . 27610 1 343 . 1 1 31 31 THR HA H 1 4.540 0.007 . 1 . . 423 . . 31 THR HA . 27610 1 344 . 1 1 31 31 THR HB H 1 4.511 0.009 . 1 . . 424 . . 31 THR HB . 27610 1 345 . 1 1 31 31 THR HG21 H 1 1.171 0.013 . 1 . . 591 . . 31 THR HG21 . 27610 1 346 . 1 1 31 31 THR HG22 H 1 1.171 0.013 . 1 . . 591 . . 31 THR HG22 . 27610 1 347 . 1 1 31 31 THR HG23 H 1 1.171 0.013 . 1 . . 591 . . 31 THR HG23 . 27610 1 348 . 1 1 31 31 THR C C 13 174.972 . . 1 . . 844 . . 31 THR C . 27610 1 349 . 1 1 31 31 THR CA C 13 61.895 0.083 . 1 . . 165 . . 31 THR CA . 27610 1 350 . 1 1 31 31 THR CB C 13 69.448 0.096 . 1 . . 166 . . 31 THR CB . 27610 1 351 . 1 1 31 31 THR CG2 C 13 21.472 0.056 . 1 . . 322 . . 31 THR CG2 . 27610 1 352 . 1 1 31 31 THR N N 15 108.835 0.047 . 1 . . 77 . . 31 THR N . 27610 1 353 . 1 1 32 32 GLY H H 1 7.387 0.005 . 1 . . 18 . . 32 GLY H . 27610 1 354 . 1 1 32 32 GLY HA2 H 1 4.460 0.011 . 2 . . 425 . . 32 GLY HA2 . 27610 1 355 . 1 1 32 32 GLY HA3 H 1 3.658 0.01 . 2 . . 657 . . 32 GLY HA3 . 27610 1 356 . 1 1 32 32 GLY C C 13 169.059 . . 1 . . 845 . . 32 GLY C . 27610 1 357 . 1 1 32 32 GLY CA C 13 45.057 0.06 . 1 . . 235 . . 32 GLY CA . 27610 1 358 . 1 1 32 32 GLY N N 15 108.752 0.039 . 1 . . 19 . . 32 GLY N . 27610 1 359 . 1 1 33 33 TYR H H 1 7.808 0.001 . 1 . . 136 . . 33 TYR H . 27610 1 360 . 1 1 33 33 TYR HA H 1 5.478 0.005 . 1 . . 426 . . 33 TYR HA . 27610 1 361 . 1 1 33 33 TYR HB2 H 1 2.640 0.009 . 2 . . 427 . . 33 TYR HB2 . 27610 1 362 . 1 1 33 33 TYR HB3 H 1 2.344 0.009 . 2 . . 428 . . 33 TYR HB3 . 27610 1 363 . 1 1 33 33 TYR HD1 H 1 6.725 0.006 . 1 . . 945 . . 33 TYR HD1 . 27610 1 364 . 1 1 33 33 TYR HD2 H 1 6.725 0.006 . 1 . . 945 . . 33 TYR HD2 . 27610 1 365 . 1 1 33 33 TYR C C 13 174.577 . . 1 . . 846 . . 33 TYR C . 27610 1 366 . 1 1 33 33 TYR CA C 13 57.095 0.026 . 1 . . 220 . . 33 TYR CA . 27610 1 367 . 1 1 33 33 TYR CB C 13 43.384 0.039 . 1 . . 221 . . 33 TYR CB . 27610 1 368 . 1 1 33 33 TYR CD1 C 13 133.359 0.002 . 1 . . 944 . . 33 TYR CD1 . 27610 1 369 . 1 1 33 33 TYR CD2 C 13 133.359 0.002 . 1 . . 944 . . 33 TYR CD2 . 27610 1 370 . 1 1 33 33 TYR N N 15 115.043 0.048 . 1 . . 137 . . 33 TYR N . 27610 1 371 . 1 1 34 34 ILE H H 1 8.937 0.006 . 1 . . 120 . . 34 ILE H . 27610 1 372 . 1 1 34 34 ILE HA H 1 4.321 0.01 . 1 . . 429 . . 34 ILE HA . 27610 1 373 . 1 1 34 34 ILE HB H 1 1.390 0.006 . 1 . . 430 . . 34 ILE HB . 27610 1 374 . 1 1 34 34 ILE HG12 H 1 1.567 0.003 . 2 . . 649 . . 34 ILE HG12 . 27610 1 375 . 1 1 34 34 ILE HG13 H 1 1.567 0.007 . 2 . . 650 . . 34 ILE HG13 . 27610 1 376 . 1 1 34 34 ILE HG21 H 1 0.766 0.006 . 1 . . 592 . . 34 ILE HG21 . 27610 1 377 . 1 1 34 34 ILE HG22 H 1 0.766 0.006 . 1 . . 592 . . 34 ILE HG22 . 27610 1 378 . 1 1 34 34 ILE HG23 H 1 0.766 0.006 . 1 . . 592 . . 34 ILE HG23 . 27610 1 379 . 1 1 34 34 ILE C C 13 175.284 . . 1 . . 847 . . 34 ILE C . 27610 1 380 . 1 1 34 34 ILE CA C 13 61.003 0.059 . 1 . . 282 . . 34 ILE CA . 27610 1 381 . 1 1 34 34 ILE CB C 13 42.750 0.046 . 1 . . 281 . . 34 ILE CB . 27610 1 382 . 1 1 34 34 ILE CG1 C 13 27.639 0.079 . 1 . . 323 . . 34 ILE CG1 . 27610 1 383 . 1 1 34 34 ILE CG2 C 13 17.258 0.084 . 1 . . 324 . . 34 ILE CG2 . 27610 1 384 . 1 1 34 34 ILE CD1 C 13 14.942 . . 1 . . 553 . . 34 ILE CD1 . 27610 1 385 . 1 1 34 34 ILE N N 15 117.366 0.043 . 1 . . 121 . . 34 ILE N . 27610 1 386 . 1 1 35 35 ILE H H 1 9.103 0.004 . 1 . . 270 . . 35 ILE H . 27610 1 387 . 1 1 35 35 ILE HA H 1 5.320 0.008 . 1 . . 431 . . 35 ILE HA . 27610 1 388 . 1 1 35 35 ILE HB H 1 1.654 0.006 . 1 . . 432 . . 35 ILE HB . 27610 1 389 . 1 1 35 35 ILE HG12 H 1 1.220 0.013 . 1 . . 593 . . 35 ILE HG12 . 27610 1 390 . 1 1 35 35 ILE HG13 H 1 1.220 0.013 . 1 . . 594 . . 35 ILE HG13 . 27610 1 391 . 1 1 35 35 ILE HG21 H 1 0.772 0.006 . 1 . . 595 . . 35 ILE HG21 . 27610 1 392 . 1 1 35 35 ILE HG22 H 1 0.772 0.006 . 1 . . 595 . . 35 ILE HG22 . 27610 1 393 . 1 1 35 35 ILE HG23 H 1 0.772 0.006 . 1 . . 595 . . 35 ILE HG23 . 27610 1 394 . 1 1 35 35 ILE HD11 H 1 0.498 0.005 . 1 . . 596 . . 35 ILE HD11 . 27610 1 395 . 1 1 35 35 ILE HD12 H 1 0.498 0.005 . 1 . . 596 . . 35 ILE HD12 . 27610 1 396 . 1 1 35 35 ILE HD13 H 1 0.498 0.005 . 1 . . 596 . . 35 ILE HD13 . 27610 1 397 . 1 1 35 35 ILE C C 13 175.488 . . 1 . . 848 . . 35 ILE C . 27610 1 398 . 1 1 35 35 ILE CA C 13 59.507 0.063 . 1 . . 272 . . 35 ILE CA . 27610 1 399 . 1 1 35 35 ILE CB C 13 39.540 0.027 . 1 . . 273 . . 35 ILE CB . 27610 1 400 . 1 1 35 35 ILE CG1 C 13 27.663 0.013 . 1 . . 325 . . 35 ILE CG1 . 27610 1 401 . 1 1 35 35 ILE CG2 C 13 17.275 . . 1 . . 326 . . 35 ILE CG2 . 27610 1 402 . 1 1 35 35 ILE CD1 C 13 14.657 0.043 . 1 . . 554 . . 35 ILE CD1 . 27610 1 403 . 1 1 35 35 ILE N N 15 125.456 0.053 . 1 . . 271 . . 35 ILE N . 27610 1 404 . 1 1 36 36 LYS H H 1 9.172 0.004 . 1 . . 267 . . 36 LYS H . 27610 1 405 . 1 1 36 36 LYS HA H 1 5.742 0.006 . 1 . . 433 . . 36 LYS HA . 27610 1 406 . 1 1 36 36 LYS HB2 H 1 1.520 0.006 . 1 . . 434 . . 36 LYS HB2 . 27610 1 407 . 1 1 36 36 LYS HB3 H 1 1.520 0.006 . 1 . . 435 . . 36 LYS HB3 . 27610 1 408 . 1 1 36 36 LYS HG2 H 1 1.248 0.008 . 2 . . 597 . . 36 LYS HG2 . 27610 1 409 . 1 1 36 36 LYS HG3 H 1 1.129 0.002 . 2 . . 658 . . 36 LYS HG3 . 27610 1 410 . 1 1 36 36 LYS HD2 H 1 1.255 0.004 . 1 . . 680 . . 36 LYS HD2 . 27610 1 411 . 1 1 36 36 LYS HD3 H 1 1.255 0.004 . 1 . . 681 . . 36 LYS HD3 . 27610 1 412 . 1 1 36 36 LYS HE2 H 1 2.270 0.003 . 2 . . 678 . . 36 LYS HE2 . 27610 1 413 . 1 1 36 36 LYS HE3 H 1 2.403 0.01 . 2 . . 679 . . 36 LYS HE3 . 27610 1 414 . 1 1 36 36 LYS C C 13 175.046 . . 1 . . 849 . . 36 LYS C . 27610 1 415 . 1 1 36 36 LYS CA C 13 53.509 0.036 . 1 . . 269 . . 36 LYS CA . 27610 1 416 . 1 1 36 36 LYS CB C 13 36.988 0.067 . 1 . . 274 . . 36 LYS CB . 27610 1 417 . 1 1 36 36 LYS CG C 13 25.734 0.06 . 1 . . 327 . . 36 LYS CG . 27610 1 418 . 1 1 36 36 LYS CD C 13 29.725 0.049 . 1 . . 555 . . 36 LYS CD . 27610 1 419 . 1 1 36 36 LYS CE C 13 41.545 0.08 . 1 . . 556 . . 36 LYS CE . 27610 1 420 . 1 1 36 36 LYS N N 15 124.335 0.047 . 1 . . 268 . . 36 LYS N . 27610 1 421 . 1 1 37 37 TYR H H 1 9.066 0.003 . 1 . . 264 . . 37 TYR H . 27610 1 422 . 1 1 37 37 TYR HA H 1 6.205 0.005 . 1 . . 436 . . 37 TYR HA . 27610 1 423 . 1 1 37 37 TYR HB2 H 1 2.923 0.012 . 2 . . 437 . . 37 TYR HB2 . 27610 1 424 . 1 1 37 37 TYR HB3 H 1 2.740 0.008 . 2 . . 438 . . 37 TYR HB3 . 27610 1 425 . 1 1 37 37 TYR HD1 H 1 6.788 0.006 . 1 . . 949 . . 37 TYR HD1 . 27610 1 426 . 1 1 37 37 TYR HD2 H 1 6.788 0.006 . 1 . . 949 . . 37 TYR HD2 . 27610 1 427 . 1 1 37 37 TYR HE1 H 1 6.575 0.007 . 1 . . 951 . . 37 TYR HE1 . 27610 1 428 . 1 1 37 37 TYR HE2 H 1 6.575 0.007 . 1 . . 951 . . 37 TYR HE2 . 27610 1 429 . 1 1 37 37 TYR C C 13 174.398 . . 1 . . 850 . . 37 TYR C . 27610 1 430 . 1 1 37 37 TYR CA C 13 55.276 0.033 . 1 . . 266 . . 37 TYR CA . 27610 1 431 . 1 1 37 37 TYR CB C 13 41.902 0.056 . 1 . . 283 . . 37 TYR CB . 27610 1 432 . 1 1 37 37 TYR CD1 C 13 133.889 0.08 . 1 . . 948 . . 37 TYR CD1 . 27610 1 433 . 1 1 37 37 TYR CD2 C 13 133.889 0.08 . 1 . . 948 . . 37 TYR CD2 . 27610 1 434 . 1 1 37 37 TYR CE1 C 13 118.049 . . 1 . . 950 . . 37 TYR CE1 . 27610 1 435 . 1 1 37 37 TYR CE2 C 13 118.049 . . 1 . . 950 . . 37 TYR CE2 . 27610 1 436 . 1 1 37 37 TYR N N 15 116.596 0.041 . 1 . . 265 . . 37 TYR N . 27610 1 437 . 1 1 38 38 GLU H H 1 9.430 0.002 . 1 . . 96 . . 38 GLU H . 27610 1 438 . 1 1 38 38 GLU HA H 1 5.051 0.006 . 1 . . 533 . . 38 GLU HA . 27610 1 439 . 1 1 38 38 GLU HB2 H 1 2.218 0.006 . 2 . . 439 . . 38 GLU HB2 . 27610 1 440 . 1 1 38 38 GLU HB3 H 1 1.949 0.011 . 2 . . 440 . . 38 GLU HB3 . 27610 1 441 . 1 1 38 38 GLU C C 13 173.461 . . 1 . . 851 . . 38 GLU C . 27610 1 442 . 1 1 38 38 GLU CA C 13 54.619 0.038 . 1 . . 202 . . 38 GLU CA . 27610 1 443 . 1 1 38 38 GLU CB C 13 35.370 0.103 . 1 . . 682 . . 38 GLU CB . 27610 1 444 . 1 1 38 38 GLU CG C 13 37.382 . . 1 . . 328 . . 38 GLU CG . 27610 1 445 . 1 1 38 38 GLU N N 15 122.368 0.062 . 1 . . 97 . . 38 GLU N . 27610 1 446 . 1 1 39 39 LYS H H 1 8.304 0.004 . 1 . . 74 . . 39 LYS H . 27610 1 447 . 1 1 39 39 LYS HA H 1 4.943 0.002 . 1 . . 719 . . 39 LYS HA . 27610 1 448 . 1 1 39 39 LYS HB2 H 1 1.333 0.009 . 2 . . 720 . . 39 LYS HB2 . 27610 1 449 . 1 1 39 39 LYS HB3 H 1 1.563 0.008 . 2 . . 721 . . 39 LYS HB3 . 27610 1 450 . 1 1 39 39 LYS HG2 H 1 1.327 0.01 . 2 . . 723 . . 39 LYS HG2 . 27610 1 451 . 1 1 39 39 LYS HG3 H 1 1.128 0.009 . 2 . . 724 . . 39 LYS HG3 . 27610 1 452 . 1 1 39 39 LYS HD2 H 1 1.603 0.0 . 1 . . 729 . . 39 LYS HD2 . 27610 1 453 . 1 1 39 39 LYS HD3 H 1 1.603 0.0 . 1 . . 730 . . 39 LYS HD3 . 27610 1 454 . 1 1 39 39 LYS HE2 H 1 3.001 0.018 . 2 . . 726 . . 39 LYS HE2 . 27610 1 455 . 1 1 39 39 LYS HE3 H 1 2.973 0.002 . 2 . . 727 . . 39 LYS HE3 . 27610 1 456 . 1 1 39 39 LYS CA C 13 52.913 0.036 . 1 . . 284 . . 39 LYS CA . 27610 1 457 . 1 1 39 39 LYS CB C 13 32.924 0.052 . 1 . . 285 . . 39 LYS CB . 27610 1 458 . 1 1 39 39 LYS CG C 13 23.791 0.104 . 1 . . 722 . . 39 LYS CG . 27610 1 459 . 1 1 39 39 LYS CD C 13 30.434 . . 1 . . 728 . . 39 LYS CD . 27610 1 460 . 1 1 39 39 LYS CE C 13 42.474 0.105 . 1 . . 725 . . 39 LYS CE . 27610 1 461 . 1 1 39 39 LYS N N 15 124.474 0.06 . 1 . . 75 . . 39 LYS N . 27610 1 462 . 1 1 40 40 PRO HA H 1 4.338 0.002 . 1 . . 441 . . 40 PRO HA . 27610 1 463 . 1 1 40 40 PRO HB2 H 1 2.295 0.002 . 2 . . 442 . . 40 PRO HB2 . 27610 1 464 . 1 1 40 40 PRO HB3 H 1 1.827 0.001 . 2 . . 443 . . 40 PRO HB3 . 27610 1 465 . 1 1 40 40 PRO HG2 H 1 1.955 0.003 . 2 . . 685 . . 40 PRO HG2 . 27610 1 466 . 1 1 40 40 PRO HG3 H 1 2.117 0.002 . 2 . . 686 . . 40 PRO HG3 . 27610 1 467 . 1 1 40 40 PRO HD2 H 1 3.434 0.003 . 2 . . 683 . . 40 PRO HD2 . 27610 1 468 . 1 1 40 40 PRO HD3 H 1 4.082 0.004 . 2 . . 684 . . 40 PRO HD3 . 27610 1 469 . 1 1 40 40 PRO C C 13 178.614 . . 1 . . 852 . . 40 PRO C . 27610 1 470 . 1 1 40 40 PRO CA C 13 64.485 0.046 . 1 . . 277 . . 40 PRO CA . 27610 1 471 . 1 1 40 40 PRO CB C 13 31.638 0.018 . 1 . . 275 . . 40 PRO CB . 27610 1 472 . 1 1 40 40 PRO CG C 13 28.166 0.014 . 1 . . 329 . . 40 PRO CG . 27610 1 473 . 1 1 40 40 PRO CD C 13 50.808 0.028 . 1 . . 560 . . 40 PRO CD . 27610 1 474 . 1 1 41 41 GLY H H 1 8.897 0.021 . 1 . . 231 . . 41 GLY H . 27610 1 475 . 1 1 41 41 GLY HA2 H 1 4.272 0.01 . 2 . . 534 . . 41 GLY HA2 . 27610 1 476 . 1 1 41 41 GLY HA3 H 1 3.730 0.017 . 2 . . 535 . . 41 GLY HA3 . 27610 1 477 . 1 1 41 41 GLY C C 13 174.114 . . 1 . . 853 . . 41 GLY C . 27610 1 478 . 1 1 41 41 GLY CA C 13 45.689 0.068 . 1 . . 276 . . 41 GLY CA . 27610 1 479 . 1 1 41 41 GLY N N 15 113.269 0.053 . 1 . . 232 . . 41 GLY N . 27610 1 480 . 1 1 42 42 SER H H 1 8.137 0.003 . 1 . . 143 . . 42 SER H . 27610 1 481 . 1 1 42 42 SER HA H 1 5.144 0.006 . 1 . . 578 . . 42 SER HA . 27610 1 482 . 1 1 42 42 SER HB2 H 1 3.771 0.005 . 2 . . 576 . . 42 SER HB2 . 27610 1 483 . 1 1 42 42 SER HB3 H 1 3.936 0.004 . 2 . . 577 . . 42 SER HB3 . 27610 1 484 . 1 1 42 42 SER CA C 13 56.499 0.081 . 1 . . 263 . . 42 SER CA . 27610 1 485 . 1 1 42 42 SER CB C 13 65.117 0.042 . 1 . . 302 . . 42 SER CB . 27610 1 486 . 1 1 42 42 SER N N 15 116.488 0.074 . 1 . . 144 . . 42 SER N . 27610 1 487 . 1 1 43 43 PRO HA H 1 4.770 0.001 . 1 . . 973 . . 43 PRO HA . 27610 1 488 . 1 1 43 43 PRO HB2 H 1 2.416 0.002 . 2 . . 971 . . 43 PRO HB2 . 27610 1 489 . 1 1 43 43 PRO HB3 H 1 2.415 0.002 . 2 . . 976 . . 43 PRO HB3 . 27610 1 490 . 1 1 43 43 PRO HG2 H 1 2.032 0.0 . 1 . . 975 . . 43 PRO HG2 . 27610 1 491 . 1 1 43 43 PRO HG3 H 1 2.032 0.0 . 1 . . 977 . . 43 PRO HG3 . 27610 1 492 . 1 1 43 43 PRO HD2 H 1 3.716 0.006 . 2 . . 772 . . 43 PRO HD2 . 27610 1 493 . 1 1 43 43 PRO HD3 H 1 3.895 0.002 . 2 . . 773 . . 43 PRO HD3 . 27610 1 494 . 1 1 43 43 PRO CA C 13 61.700 . . 1 . . 974 . . 43 PRO CA . 27610 1 495 . 1 1 43 43 PRO CB C 13 30.857 . . 1 . . 972 . . 43 PRO CB . 27610 1 496 . 1 1 43 43 PRO CG C 13 27.690 . . 1 . . 978 . . 43 PRO CG . 27610 1 497 . 1 1 43 43 PRO CD C 13 50.713 0.101 . 1 . . 771 . . 43 PRO CD . 27610 1 498 . 1 1 44 44 PRO HA H 1 4.583 0.003 . 1 . . 444 . . 44 PRO HA . 27610 1 499 . 1 1 44 44 PRO HB2 H 1 2.023 0.007 . 2 . . 536 . . 44 PRO HB2 . 27610 1 500 . 1 1 44 44 PRO HB3 H 1 1.590 0.005 . 2 . . 537 . . 44 PRO HB3 . 27610 1 501 . 1 1 44 44 PRO HG2 H 1 1.949 0.001 . 1 . . 807 . . 44 PRO HG2 . 27610 1 502 . 1 1 44 44 PRO HG3 H 1 1.949 0.001 . 1 . . 808 . . 44 PRO HG3 . 27610 1 503 . 1 1 44 44 PRO HD2 H 1 3.875 0.002 . 2 . . 935 . . 44 PRO HD2 . 27610 1 504 . 1 1 44 44 PRO HD3 H 1 3.597 0.014 . 2 . . 937 . . 44 PRO HD3 . 27610 1 505 . 1 1 44 44 PRO C C 13 175.989 . . 1 . . 854 . . 44 PRO C . 27610 1 506 . 1 1 44 44 PRO CA C 13 62.737 0.013 . 1 . . 294 . . 44 PRO CA . 27610 1 507 . 1 1 44 44 PRO CB C 13 32.536 0.015 . 1 . . 293 . . 44 PRO CB . 27610 1 508 . 1 1 44 44 PRO CG C 13 27.066 0.002 . 1 . . 330 . . 44 PRO CG . 27610 1 509 . 1 1 44 44 PRO CD C 13 50.380 0.003 . 1 . . 936 . . 44 PRO CD . 27610 1 510 . 1 1 45 45 ARG H H 1 8.309 0.003 . 1 . . 80 . . 45 ARG H . 27610 1 511 . 1 1 45 45 ARG HA H 1 4.524 0.007 . 1 . . 539 . . 45 ARG HA . 27610 1 512 . 1 1 45 45 ARG HB2 H 1 1.516 0.011 . 2 . . 540 . . 45 ARG HB2 . 27610 1 513 . 1 1 45 45 ARG HB3 H 1 0.857 0.004 . 2 . . 541 . . 45 ARG HB3 . 27610 1 514 . 1 1 45 45 ARG HG2 H 1 1.366 0.002 . 1 . . 600 . . 45 ARG HG2 . 27610 1 515 . 1 1 45 45 ARG HG3 H 1 1.366 0.002 . 1 . . 601 . . 45 ARG HG3 . 27610 1 516 . 1 1 45 45 ARG HD2 H 1 3.184 0.004 . 1 . . 598 . . 45 ARG HD2 . 27610 1 517 . 1 1 45 45 ARG HD3 H 1 3.184 0.004 . 1 . . 599 . . 45 ARG HD3 . 27610 1 518 . 1 1 45 45 ARG C C 13 174.396 . . 1 . . 855 . . 45 ARG C . 27610 1 519 . 1 1 45 45 ARG CA C 13 54.067 0.039 . 1 . . 182 . . 45 ARG CA . 27610 1 520 . 1 1 45 45 ARG CB C 13 33.445 0.057 . 1 . . 183 . . 45 ARG CB . 27610 1 521 . 1 1 45 45 ARG CG C 13 27.012 0.017 . 1 . . 312 . . 45 ARG CG . 27610 1 522 . 1 1 45 45 ARG CD C 13 43.749 0.078 . 1 . . 557 . . 45 ARG CD . 27610 1 523 . 1 1 45 45 ARG N N 15 121.236 0.05 . 1 . . 81 . . 45 ARG N . 27610 1 524 . 1 1 46 46 GLU H H 1 8.298 0.004 . 1 . . 90 . . 46 GLU H . 27610 1 525 . 1 1 46 46 GLU HA H 1 5.244 0.005 . 1 . . 538 . . 46 GLU HA . 27610 1 526 . 1 1 46 46 GLU HB2 H 1 2.125 0.009 . 2 . . 445 . . 46 GLU HB2 . 27610 1 527 . 1 1 46 46 GLU HB3 H 1 1.858 0.019 . 2 . . 446 . . 46 GLU HB3 . 27610 1 528 . 1 1 46 46 GLU HG2 H 1 2.264 0.013 . 2 . . 602 . . 46 GLU HG2 . 27610 1 529 . 1 1 46 46 GLU HG3 H 1 2.108 0.01 . 2 . . 659 . . 46 GLU HG3 . 27610 1 530 . 1 1 46 46 GLU C C 13 177.749 . . 1 . . 856 . . 46 GLU C . 27610 1 531 . 1 1 46 46 GLU CA C 13 55.810 0.023 . 1 . . 181 . . 46 GLU CA . 27610 1 532 . 1 1 46 46 GLU CB C 13 32.456 0.166 . 1 . . 180 . . 46 GLU CB . 27610 1 533 . 1 1 46 46 GLU CG C 13 38.029 0.098 . 1 . . 331 . . 46 GLU CG . 27610 1 534 . 1 1 46 46 GLU N N 15 118.488 0.043 . 1 . . 91 . . 46 GLU N . 27610 1 535 . 1 1 47 47 VAL H H 1 8.579 0.006 . 1 . . 26 . . 47 VAL H . 27610 1 536 . 1 1 47 47 VAL HA H 1 4.153 0.007 . 1 . . 447 . . 47 VAL HA . 27610 1 537 . 1 1 47 47 VAL HB H 1 2.019 0.009 . 1 . . 448 . . 47 VAL HB . 27610 1 538 . 1 1 47 47 VAL HG11 H 1 1.047 0.011 . 2 . . 603 . . 47 VAL HG11 . 27610 1 539 . 1 1 47 47 VAL HG12 H 1 1.047 0.011 . 2 . . 603 . . 47 VAL HG12 . 27610 1 540 . 1 1 47 47 VAL HG13 H 1 1.047 0.011 . 2 . . 603 . . 47 VAL HG13 . 27610 1 541 . 1 1 47 47 VAL HG21 H 1 1.077 0.008 . 2 . . 604 . . 47 VAL HG21 . 27610 1 542 . 1 1 47 47 VAL HG22 H 1 1.077 0.008 . 2 . . 604 . . 47 VAL HG22 . 27610 1 543 . 1 1 47 47 VAL HG23 H 1 1.077 0.008 . 2 . . 604 . . 47 VAL HG23 . 27610 1 544 . 1 1 47 47 VAL C C 13 174.831 . . 1 . . 857 . . 47 VAL C . 27610 1 545 . 1 1 47 47 VAL CA C 13 63.769 0.071 . 1 . . 201 . . 47 VAL CA . 27610 1 546 . 1 1 47 47 VAL CB C 13 33.359 0.031 . 1 . . 303 . . 47 VAL CB . 27610 1 547 . 1 1 47 47 VAL CG1 C 13 21.001 0.036 . 2 . . 360 . . 47 VAL CG1 . 27610 1 548 . 1 1 47 47 VAL CG2 C 13 23.843 0.077 . 2 . . 359 . . 47 VAL CG2 . 27610 1 549 . 1 1 47 47 VAL N N 15 123.302 0.044 . 1 . . 27 . . 47 VAL N . 27610 1 550 . 1 1 48 48 VAL H H 1 8.316 0.003 . 1 . . 52 . . 48 VAL H . 27610 1 551 . 1 1 48 48 VAL HA H 1 4.432 0.009 . 1 . . 731 . . 48 VAL HA . 27610 1 552 . 1 1 48 48 VAL HB H 1 2.029 0.007 . 1 . . 732 . . 48 VAL HB . 27610 1 553 . 1 1 48 48 VAL HG11 H 1 0.950 0.023 . 2 . . 734 . . 48 VAL HG11 . 27610 1 554 . 1 1 48 48 VAL HG12 H 1 0.950 0.023 . 2 . . 734 . . 48 VAL HG12 . 27610 1 555 . 1 1 48 48 VAL HG13 H 1 0.950 0.023 . 2 . . 734 . . 48 VAL HG13 . 27610 1 556 . 1 1 48 48 VAL HG21 H 1 0.975 0.005 . 2 . . 736 . . 48 VAL HG21 . 27610 1 557 . 1 1 48 48 VAL HG22 H 1 0.975 0.005 . 2 . . 736 . . 48 VAL HG22 . 27610 1 558 . 1 1 48 48 VAL HG23 H 1 0.975 0.005 . 2 . . 736 . . 48 VAL HG23 . 27610 1 559 . 1 1 48 48 VAL CA C 13 58.759 0.06 . 1 . . 292 . . 48 VAL CA . 27610 1 560 . 1 1 48 48 VAL CB C 13 35.135 0.047 . 1 . . 304 . . 48 VAL CB . 27610 1 561 . 1 1 48 48 VAL CG1 C 13 20.397 0.003 . 2 . . 733 . . 48 VAL CG1 . 27610 1 562 . 1 1 48 48 VAL CG2 C 13 20.687 0.129 . 2 . . 735 . . 48 VAL CG2 . 27610 1 563 . 1 1 48 48 VAL N N 15 125.913 0.04 . 1 . . 53 . . 48 VAL N . 27610 1 564 . 1 1 49 49 PRO HA H 1 4.797 0.002 . 1 . . 764 . . 49 PRO HA . 27610 1 565 . 1 1 49 49 PRO HB2 H 1 2.483 0.002 . 2 . . 757 . . 49 PRO HB2 . 27610 1 566 . 1 1 49 49 PRO HB3 H 1 2.155 0.001 . 2 . . 758 . . 49 PRO HB3 . 27610 1 567 . 1 1 49 49 PRO HG2 H 1 1.989 0.001 . 2 . . 760 . . 49 PRO HG2 . 27610 1 568 . 1 1 49 49 PRO HG3 H 1 1.904 0.002 . 2 . . 761 . . 49 PRO HG3 . 27610 1 569 . 1 1 49 49 PRO HD2 H 1 3.587 0.003 . 2 . . 762 . . 49 PRO HD2 . 27610 1 570 . 1 1 49 49 PRO HD3 H 1 3.663 0.002 . 2 . . 934 . . 49 PRO HD3 . 27610 1 571 . 1 1 49 49 PRO C C 13 176.007 . . 1 . . 897 . . 49 PRO C . 27610 1 572 . 1 1 49 49 PRO CA C 13 62.724 0.011 . 1 . . 763 . . 49 PRO CA . 27610 1 573 . 1 1 49 49 PRO CB C 13 34.688 0.037 . 1 . . 756 . . 49 PRO CB . 27610 1 574 . 1 1 49 49 PRO CG C 13 25.225 0.003 . 1 . . 759 . . 49 PRO CG . 27610 1 575 . 1 1 49 49 PRO CD C 13 50.056 0.0 . 1 . . 748 . . 49 PRO CD . 27610 1 576 . 1 1 50 50 ARG H H 1 8.693 0.001 . 1 . . 892 . . 50 ARG H . 27610 1 577 . 1 1 50 50 ARG HA H 1 4.567 0.007 . 1 . . 777 . . 50 ARG HA . 27610 1 578 . 1 1 50 50 ARG HB2 H 1 2.443 0.004 . 2 . . 779 . . 50 ARG HB2 . 27610 1 579 . 1 1 50 50 ARG HB3 H 1 1.728 0.006 . 2 . . 780 . . 50 ARG HB3 . 27610 1 580 . 1 1 50 50 ARG HG2 H 1 2.287 0.006 . 2 . . 782 . . 50 ARG HG2 . 27610 1 581 . 1 1 50 50 ARG HG3 H 1 2.034 0.005 . 2 . . 788 . . 50 ARG HG3 . 27610 1 582 . 1 1 50 50 ARG HD2 H 1 3.185 0.006 . 2 . . 790 . . 50 ARG HD2 . 27610 1 583 . 1 1 50 50 ARG HD3 H 1 3.121 0.004 . 2 . . 791 . . 50 ARG HD3 . 27610 1 584 . 1 1 50 50 ARG CA C 13 55.966 0.118 . 1 . . 776 . . 50 ARG CA . 27610 1 585 . 1 1 50 50 ARG CB C 13 29.744 0.061 . 1 . . 778 . . 50 ARG CB . 27610 1 586 . 1 1 50 50 ARG CG C 13 27.723 0.066 . 1 . . 781 . . 50 ARG CG . 27610 1 587 . 1 1 50 50 ARG CD C 13 44.162 0.115 . 1 . . 789 . . 50 ARG CD . 27610 1 588 . 1 1 50 50 ARG N N 15 122.290 0.005 . 1 . . 893 . . 50 ARG N . 27610 1 589 . 1 1 51 51 PRO HA H 1 4.567 0.003 . 1 . . 786 . . 51 PRO HA . 27610 1 590 . 1 1 51 51 PRO HB2 H 1 2.080 0.004 . 2 . . 929 . . 51 PRO HB2 . 27610 1 591 . 1 1 51 51 PRO HB3 H 1 2.544 0.003 . 2 . . 930 . . 51 PRO HB3 . 27610 1 592 . 1 1 51 51 PRO HG2 H 1 2.132 0.006 . 2 . . 932 . . 51 PRO HG2 . 27610 1 593 . 1 1 51 51 PRO HG3 H 1 2.132 0.005 . 2 . . 933 . . 51 PRO HG3 . 27610 1 594 . 1 1 51 51 PRO HD2 H 1 4.028 0.012 . 2 . . 783 . . 51 PRO HD2 . 27610 1 595 . 1 1 51 51 PRO HD3 H 1 3.679 0.01 . 2 . . 787 . . 51 PRO HD3 . 27610 1 596 . 1 1 51 51 PRO CA C 13 63.219 0.011 . 1 . . 785 . . 51 PRO CA . 27610 1 597 . 1 1 51 51 PRO CB C 13 32.125 0.03 . 1 . . 928 . . 51 PRO CB . 27610 1 598 . 1 1 51 51 PRO CG C 13 27.461 0.0 . 1 . . 931 . . 51 PRO CG . 27610 1 599 . 1 1 51 51 PRO CD C 13 50.613 0.014 . 1 . . 784 . . 51 PRO CD . 27610 1 600 . 1 1 52 52 ARG H H 1 8.175 0.0 . 1 . . 926 . . 52 ARG H . 27610 1 601 . 1 1 52 52 ARG HA H 1 4.633 0.01 . 1 . . 793 . . 52 ARG HA . 27610 1 602 . 1 1 52 52 ARG HB2 H 1 2.197 0.005 . 2 . . 798 . . 52 ARG HB2 . 27610 1 603 . 1 1 52 52 ARG HB3 H 1 1.819 0.012 . 2 . . 799 . . 52 ARG HB3 . 27610 1 604 . 1 1 52 52 ARG HG2 H 1 1.962 0.013 . 2 . . 801 . . 52 ARG HG2 . 27610 1 605 . 1 1 52 52 ARG HG3 H 1 1.980 0.014 . 2 . . 802 . . 52 ARG HG3 . 27610 1 606 . 1 1 52 52 ARG HD2 H 1 3.368 0.008 . 1 . . 795 . . 52 ARG HD2 . 27610 1 607 . 1 1 52 52 ARG HD3 H 1 3.368 0.008 . 1 . . 796 . . 52 ARG HD3 . 27610 1 608 . 1 1 52 52 ARG CA C 13 54.568 0.054 . 1 . . 792 . . 52 ARG CA . 27610 1 609 . 1 1 52 52 ARG CB C 13 29.636 0.045 . 1 . . 797 . . 52 ARG CB . 27610 1 610 . 1 1 52 52 ARG CG C 13 27.787 0.053 . 1 . . 800 . . 52 ARG CG . 27610 1 611 . 1 1 52 52 ARG CD C 13 43.346 0.021 . 1 . . 794 . . 52 ARG CD . 27610 1 612 . 1 1 52 52 ARG N N 15 122.885 0.034 . 1 . . 927 . . 52 ARG N . 27610 1 613 . 1 1 53 53 PRO HA H 1 4.270 0.003 . 1 . . 449 . . 53 PRO HA . 27610 1 614 . 1 1 53 53 PRO HB2 H 1 1.964 0.002 . 2 . . 450 . . 53 PRO HB2 . 27610 1 615 . 1 1 53 53 PRO HB3 H 1 2.035 0.004 . 2 . . 451 . . 53 PRO HB3 . 27610 1 616 . 1 1 53 53 PRO HG2 H 1 1.750 0.002 . 2 . . 924 . . 53 PRO HG2 . 27610 1 617 . 1 1 53 53 PRO HG3 H 1 2.146 0.003 . 2 . . 925 . . 53 PRO HG3 . 27610 1 618 . 1 1 53 53 PRO HD2 H 1 3.787 0.008 . 2 . . 687 . . 53 PRO HD2 . 27610 1 619 . 1 1 53 53 PRO HD3 H 1 3.787 0.007 . 2 . . 688 . . 53 PRO HD3 . 27610 1 620 . 1 1 53 53 PRO C C 13 177.439 . . 1 . . 858 . . 53 PRO C . 27610 1 621 . 1 1 53 53 PRO CA C 13 64.696 0.025 . 1 . . 279 . . 53 PRO CA . 27610 1 622 . 1 1 53 53 PRO CB C 13 31.890 0.137 . 1 . . 280 . . 53 PRO CB . 27610 1 623 . 1 1 53 53 PRO CG C 13 28.410 0.002 . 1 . . 332 . . 53 PRO CG . 27610 1 624 . 1 1 53 53 PRO CD C 13 50.009 0.137 . 1 . . 561 . . 53 PRO CD . 27610 1 625 . 1 1 54 54 GLY H H 1 8.377 0.003 . 1 . . 28 . . 54 GLY H . 27610 1 626 . 1 1 54 54 GLY HA2 H 1 4.211 0.007 . 2 . . 452 . . 54 GLY HA2 . 27610 1 627 . 1 1 54 54 GLY HA3 H 1 4.005 0.008 . 2 . . 453 . . 54 GLY HA3 . 27610 1 628 . 1 1 54 54 GLY C C 13 174.387 . . 1 . . 859 . . 54 GLY C . 27610 1 629 . 1 1 54 54 GLY CA C 13 45.255 0.032 . 1 . . 278 . . 54 GLY CA . 27610 1 630 . 1 1 54 54 GLY N N 15 109.972 0.049 . 1 . . 29 . . 54 GLY N . 27610 1 631 . 1 1 55 55 VAL H H 1 7.630 0.003 . 1 . . 78 . . 55 VAL H . 27610 1 632 . 1 1 55 55 VAL HA H 1 4.342 0.005 . 1 . . 454 . . 55 VAL HA . 27610 1 633 . 1 1 55 55 VAL HB H 1 2.474 0.005 . 1 . . 455 . . 55 VAL HB . 27610 1 634 . 1 1 55 55 VAL HG11 H 1 1.199 0.006 . 2 . . 605 . . 55 VAL HG11 . 27610 1 635 . 1 1 55 55 VAL HG12 H 1 1.199 0.006 . 2 . . 605 . . 55 VAL HG12 . 27610 1 636 . 1 1 55 55 VAL HG13 H 1 1.199 0.006 . 2 . . 605 . . 55 VAL HG13 . 27610 1 637 . 1 1 55 55 VAL HG21 H 1 1.181 0.007 . 2 . . 606 . . 55 VAL HG21 . 27610 1 638 . 1 1 55 55 VAL HG22 H 1 1.181 0.007 . 2 . . 606 . . 55 VAL HG22 . 27610 1 639 . 1 1 55 55 VAL HG23 H 1 1.181 0.007 . 2 . . 606 . . 55 VAL HG23 . 27610 1 640 . 1 1 55 55 VAL C C 13 176.135 . . 1 . . 860 . . 55 VAL C . 27610 1 641 . 1 1 55 55 VAL CA C 13 62.148 0.083 . 1 . . 214 . . 55 VAL CA . 27610 1 642 . 1 1 55 55 VAL CB C 13 33.192 0.054 . 1 . . 215 . . 55 VAL CB . 27610 1 643 . 1 1 55 55 VAL CG1 C 13 20.830 0.061 . 2 . . 361 . . 55 VAL CG1 . 27610 1 644 . 1 1 55 55 VAL CG2 C 13 22.182 0.042 . 2 . . 362 . . 55 VAL CG2 . 27610 1 645 . 1 1 55 55 VAL N N 15 118.884 0.058 . 1 . . 79 . . 55 VAL N . 27610 1 646 . 1 1 56 56 THR H H 1 8.312 0.005 . 1 . . 102 . . 56 THR H . 27610 1 647 . 1 1 56 56 THR HA H 1 3.302 0.003 . 1 . . 457 . . 56 THR HA . 27610 1 648 . 1 1 56 56 THR HB H 1 4.218 0.003 . 1 . . 456 . . 56 THR HB . 27610 1 649 . 1 1 56 56 THR HG21 H 1 0.842 0.007 . 1 . . 607 . . 56 THR HG21 . 27610 1 650 . 1 1 56 56 THR HG22 H 1 0.842 0.007 . 1 . . 607 . . 56 THR HG22 . 27610 1 651 . 1 1 56 56 THR HG23 H 1 0.842 0.007 . 1 . . 607 . . 56 THR HG23 . 27610 1 652 . 1 1 56 56 THR C C 13 170.942 . . 1 . . 861 . . 56 THR C . 27610 1 653 . 1 1 56 56 THR CA C 13 59.618 0.043 . 1 . . 212 . . 56 THR CA . 27610 1 654 . 1 1 56 56 THR CB C 13 68.438 0.078 . 1 . . 213 . . 56 THR CB . 27610 1 655 . 1 1 56 56 THR CG2 C 13 21.540 0.055 . 1 . . 333 . . 56 THR CG2 . 27610 1 656 . 1 1 56 56 THR N N 15 112.006 0.043 . 1 . . 103 . . 56 THR N . 27610 1 657 . 1 1 57 57 GLU H H 1 6.523 0.002 . 1 . . 98 . . 57 GLU H . 27610 1 658 . 1 1 57 57 GLU HA H 1 4.912 0.009 . 1 . . 458 . . 57 GLU HA . 27610 1 659 . 1 1 57 57 GLU HB2 H 1 1.661 0.036 . 2 . . 459 . . 57 GLU HB2 . 27610 1 660 . 1 1 57 57 GLU HB3 H 1 1.728 0.021 . 2 . . 460 . . 57 GLU HB3 . 27610 1 661 . 1 1 57 57 GLU HG2 H 1 1.933 0.018 . 1 . . 608 . . 57 GLU HG2 . 27610 1 662 . 1 1 57 57 GLU HG3 H 1 1.933 0.018 . 1 . . 609 . . 57 GLU HG3 . 27610 1 663 . 1 1 57 57 GLU C C 13 174.910 . . 1 . . 862 . . 57 GLU C . 27610 1 664 . 1 1 57 57 GLU CA C 13 54.120 0.044 . 1 . . 211 . . 57 GLU CA . 27610 1 665 . 1 1 57 57 GLU CB C 13 33.319 0.036 . 1 . . 210 . . 57 GLU CB . 27610 1 666 . 1 1 57 57 GLU CG C 13 35.258 0.082 . 1 . . 334 . . 57 GLU CG . 27610 1 667 . 1 1 57 57 GLU N N 15 115.319 0.041 . 1 . . 99 . . 57 GLU N . 27610 1 668 . 1 1 58 58 ALA H H 1 9.001 0.005 . 1 . . 128 . . 58 ALA H . 27610 1 669 . 1 1 58 58 ALA HA H 1 4.599 0.01 . 1 . . 461 . . 58 ALA HA . 27610 1 670 . 1 1 58 58 ALA HB1 H 1 1.382 0.003 . 1 . . 462 . . 58 ALA HB1 . 27610 1 671 . 1 1 58 58 ALA HB2 H 1 1.382 0.003 . 1 . . 462 . . 58 ALA HB2 . 27610 1 672 . 1 1 58 58 ALA HB3 H 1 1.382 0.003 . 1 . . 462 . . 58 ALA HB3 . 27610 1 673 . 1 1 58 58 ALA C C 13 174.959 . . 1 . . 863 . . 58 ALA C . 27610 1 674 . 1 1 58 58 ALA CA C 13 51.995 0.064 . 1 . . 209 . . 58 ALA CA . 27610 1 675 . 1 1 58 58 ALA CB C 13 22.255 0.055 . 1 . . 208 . . 58 ALA CB . 27610 1 676 . 1 1 58 58 ALA N N 15 120.594 0.047 . 1 . . 129 . . 58 ALA N . 27610 1 677 . 1 1 59 59 THR H H 1 8.418 0.002 . 1 . . 11 . . 59 THR H . 27610 1 678 . 1 1 59 59 THR HA H 1 5.036 0.006 . 1 . . 463 . . 59 THR HA . 27610 1 679 . 1 1 59 59 THR HB H 1 3.916 0.003 . 1 . . 464 . . 59 THR HB . 27610 1 680 . 1 1 59 59 THR HG21 H 1 1.020 0.008 . 1 . . 610 . . 59 THR HG21 . 27610 1 681 . 1 1 59 59 THR HG22 H 1 1.020 0.008 . 1 . . 610 . . 59 THR HG22 . 27610 1 682 . 1 1 59 59 THR HG23 H 1 1.020 0.008 . 1 . . 610 . . 59 THR HG23 . 27610 1 683 . 1 1 59 59 THR C C 13 173.764 . . 1 . . 864 . . 59 THR C . 27610 1 684 . 1 1 59 59 THR CA C 13 62.084 0.065 . 1 . . 207 . . 59 THR CA . 27610 1 685 . 1 1 59 59 THR CB C 13 69.754 0.047 . 1 . . 13 . . 59 THR CB . 27610 1 686 . 1 1 59 59 THR CG2 C 13 21.579 0.018 . 1 . . 335 . . 59 THR CG2 . 27610 1 687 . 1 1 59 59 THR N N 15 117.055 0.061 . 1 . . 12 . . 59 THR N . 27610 1 688 . 1 1 60 60 ILE H H 1 9.289 0.003 . 1 . . 8 . . 60 ILE H . 27610 1 689 . 1 1 60 60 ILE HA H 1 4.099 0.007 . 1 . . 465 . . 60 ILE HA . 27610 1 690 . 1 1 60 60 ILE HB H 1 1.439 0.006 . 1 . . 466 . . 60 ILE HB . 27610 1 691 . 1 1 60 60 ILE HG12 H 1 0.713 0.023 . 2 . . 612 . . 60 ILE HG12 . 27610 1 692 . 1 1 60 60 ILE HG13 H 1 0.713 0.023 . 2 . . 613 . . 60 ILE HG13 . 27610 1 693 . 1 1 60 60 ILE HG21 H 1 0.075 0.004 . 1 . . 611 . . 60 ILE HG21 . 27610 1 694 . 1 1 60 60 ILE HG22 H 1 0.075 0.004 . 1 . . 611 . . 60 ILE HG22 . 27610 1 695 . 1 1 60 60 ILE HG23 H 1 0.075 0.004 . 1 . . 611 . . 60 ILE HG23 . 27610 1 696 . 1 1 60 60 ILE HD11 H 1 0.555 0.007 . 1 . . 689 . . 60 ILE HD11 . 27610 1 697 . 1 1 60 60 ILE HD12 H 1 0.555 0.007 . 1 . . 689 . . 60 ILE HD12 . 27610 1 698 . 1 1 60 60 ILE HD13 H 1 0.555 0.007 . 1 . . 689 . . 60 ILE HD13 . 27610 1 699 . 1 1 60 60 ILE C C 13 175.072 . . 1 . . 865 . . 60 ILE C . 27610 1 700 . 1 1 60 60 ILE CA C 13 61.085 0.029 . 1 . . 305 . . 60 ILE CA . 27610 1 701 . 1 1 60 60 ILE CB C 13 38.968 0.042 . 1 . . 10 . . 60 ILE CB . 27610 1 702 . 1 1 60 60 ILE CG1 C 13 26.908 0.021 . 1 . . 336 . . 60 ILE CG1 . 27610 1 703 . 1 1 60 60 ILE CG2 C 13 17.908 0.065 . 1 . . 337 . . 60 ILE CG2 . 27610 1 704 . 1 1 60 60 ILE CD1 C 13 14.505 0.033 . 1 . . 558 . . 60 ILE CD1 . 27610 1 705 . 1 1 60 60 ILE N N 15 128.596 0.092 . 1 . . 9 . . 60 ILE N . 27610 1 706 . 1 1 61 61 THR H H 1 8.143 0.008 . 1 . . 4 . . 61 THR H . 27610 1 707 . 1 1 61 61 THR HA H 1 4.796 0.005 . 1 . . 467 . . 61 THR HA . 27610 1 708 . 1 1 61 61 THR HB H 1 4.285 0.003 . 1 . . 468 . . 61 THR HB . 27610 1 709 . 1 1 61 61 THR HG21 H 1 1.096 0.005 . 1 . . 614 . . 61 THR HG21 . 27610 1 710 . 1 1 61 61 THR HG22 H 1 1.096 0.005 . 1 . . 614 . . 61 THR HG22 . 27610 1 711 . 1 1 61 61 THR HG23 H 1 1.096 0.005 . 1 . . 614 . . 61 THR HG23 . 27610 1 712 . 1 1 61 61 THR C C 13 174.338 . . 1 . . 866 . . 61 THR C . 27610 1 713 . 1 1 61 61 THR CA C 13 60.040 0.076 . 1 . . 6 . . 61 THR CA . 27610 1 714 . 1 1 61 61 THR CB C 13 71.247 0.071 . 1 . . 7 . . 61 THR CB . 27610 1 715 . 1 1 61 61 THR CG2 C 13 21.585 0.055 . 1 . . 338 . . 61 THR CG2 . 27610 1 716 . 1 1 61 61 THR N N 15 116.537 0.071 . 1 . . 5 . . 61 THR N . 27610 1 717 . 1 1 62 62 GLY H H 1 8.502 0.005 . 1 . . 1 . . 62 GLY H . 27610 1 718 . 1 1 62 62 GLY HA2 H 1 3.880 0.023 . 2 . . 469 . . 62 GLY HA2 . 27610 1 719 . 1 1 62 62 GLY HA3 H 1 3.935 0.028 . 2 . . 470 . . 62 GLY HA3 . 27610 1 720 . 1 1 62 62 GLY C C 13 175.455 . . 1 . . 867 . . 62 GLY C . 27610 1 721 . 1 1 62 62 GLY CA C 13 46.376 0.036 . 1 . . 3 . . 62 GLY CA . 27610 1 722 . 1 1 62 62 GLY N N 15 107.182 0.05 . 1 . . 2 . . 62 GLY N . 27610 1 723 . 1 1 63 63 LEU H H 1 7.990 0.004 . 1 . . 114 . . 63 LEU H . 27610 1 724 . 1 1 63 63 LEU HA H 1 4.225 0.004 . 1 . . 471 . . 63 LEU HA . 27610 1 725 . 1 1 63 63 LEU HB2 H 1 1.074 0.011 . 2 . . 472 . . 63 LEU HB2 . 27610 1 726 . 1 1 63 63 LEU HB3 H 1 1.258 0.007 . 2 . . 660 . . 63 LEU HB3 . 27610 1 727 . 1 1 63 63 LEU HG H 1 -0.008 0.007 . 1 . . 615 . . 63 LEU HG . 27610 1 728 . 1 1 63 63 LEU HD11 H 1 -0.288 0.007 . 2 . . 616 . . 63 LEU HD11 . 27610 1 729 . 1 1 63 63 LEU HD12 H 1 -0.288 0.007 . 2 . . 616 . . 63 LEU HD12 . 27610 1 730 . 1 1 63 63 LEU HD13 H 1 -0.288 0.007 . 2 . . 616 . . 63 LEU HD13 . 27610 1 731 . 1 1 63 63 LEU HD21 H 1 -0.288 0.007 . 2 . . 651 . . 63 LEU HD21 . 27610 1 732 . 1 1 63 63 LEU HD22 H 1 -0.288 0.007 . 2 . . 651 . . 63 LEU HD22 . 27610 1 733 . 1 1 63 63 LEU HD23 H 1 -0.288 0.007 . 2 . . 651 . . 63 LEU HD23 . 27610 1 734 . 1 1 63 63 LEU C C 13 176.171 . . 1 . . 868 . . 63 LEU C . 27610 1 735 . 1 1 63 63 LEU CA C 13 53.838 0.043 . 1 . . 205 . . 63 LEU CA . 27610 1 736 . 1 1 63 63 LEU CB C 13 40.948 0.015 . 1 . . 206 . . 63 LEU CB . 27610 1 737 . 1 1 63 63 LEU CG C 13 25.598 0.071 . 1 . . 339 . . 63 LEU CG . 27610 1 738 . 1 1 63 63 LEU CD1 C 13 19.972 0.006 . 2 . . 922 . . 63 LEU CD1 . 27610 1 739 . 1 1 63 63 LEU CD2 C 13 19.972 0.006 . 2 . . 923 . . 63 LEU CD2 . 27610 1 740 . 1 1 63 63 LEU N N 15 118.730 0.055 . 1 . . 115 . . 63 LEU N . 27610 1 741 . 1 1 64 64 GLU H H 1 8.531 0.003 . 1 . . 92 . . 64 GLU H . 27610 1 742 . 1 1 64 64 GLU HA H 1 4.693 0.001 . 1 . . 910 . . 64 GLU HA . 27610 1 743 . 1 1 64 64 GLU HB2 H 1 2.090 0.0 . 2 . . 917 . . 64 GLU HB2 . 27610 1 744 . 1 1 64 64 GLU HB3 H 1 2.002 0.004 . 2 . . 918 . . 64 GLU HB3 . 27610 1 745 . 1 1 64 64 GLU HG2 H 1 2.369 0.003 . 2 . . 920 . . 64 GLU HG2 . 27610 1 746 . 1 1 64 64 GLU HG3 H 1 2.368 0.0 . 2 . . 921 . . 64 GLU HG3 . 27610 1 747 . 1 1 64 64 GLU CA C 13 53.789 0.022 . 1 . . 306 . . 64 GLU CA . 27610 1 748 . 1 1 64 64 GLU CB C 13 30.611 0.001 . 1 . . 916 . . 64 GLU CB . 27610 1 749 . 1 1 64 64 GLU CG C 13 36.340 0.0 . 1 . . 919 . . 64 GLU CG . 27610 1 750 . 1 1 64 64 GLU N N 15 121.524 0.082 . 1 . . 93 . . 64 GLU N . 27610 1 751 . 1 1 65 65 PRO HA H 1 4.780 0.012 . 1 . . 473 . . 65 PRO HA . 27610 1 752 . 1 1 65 65 PRO HB2 H 1 2.363 0.005 . 2 . . 474 . . 65 PRO HB2 . 27610 1 753 . 1 1 65 65 PRO HB3 H 1 1.956 0.005 . 2 . . 475 . . 65 PRO HB3 . 27610 1 754 . 1 1 65 65 PRO HG2 H 1 1.979 0.0 . 2 . . 914 . . 65 PRO HG2 . 27610 1 755 . 1 1 65 65 PRO HG3 H 1 1.980 0.004 . 2 . . 915 . . 65 PRO HG3 . 27610 1 756 . 1 1 65 65 PRO HD2 H 1 3.798 0.006 . 2 . . 911 . . 65 PRO HD2 . 27610 1 757 . 1 1 65 65 PRO HD3 H 1 3.726 0.002 . 2 . . 912 . . 65 PRO HD3 . 27610 1 758 . 1 1 65 65 PRO C C 13 178.748 . . 1 . . 869 . . 65 PRO C . 27610 1 759 . 1 1 65 65 PRO CA C 13 62.772 0.042 . 1 . . 225 . . 65 PRO CA . 27610 1 760 . 1 1 65 65 PRO CB C 13 32.982 0.024 . 1 . . 226 . . 65 PRO CB . 27610 1 761 . 1 1 65 65 PRO CG C 13 27.087 0.001 . 1 . . 913 . . 65 PRO CG . 27610 1 762 . 1 1 65 65 PRO CD C 13 50.830 0.002 . 1 . . 559 . . 65 PRO CD . 27610 1 763 . 1 1 66 66 GLY H H 1 8.220 0.005 . 1 . . 56 . . 66 GLY H . 27610 1 764 . 1 1 66 66 GLY HA2 H 1 3.863 0.014 . 2 . . 476 . . 66 GLY HA2 . 27610 1 765 . 1 1 66 66 GLY HA3 H 1 3.901 0.012 . 2 . . 477 . . 66 GLY HA3 . 27610 1 766 . 1 1 66 66 GLY C C 13 174.708 . . 1 . . 870 . . 66 GLY C . 27610 1 767 . 1 1 66 66 GLY CA C 13 47.603 0.14 . 1 . . 224 . . 66 GLY CA . 27610 1 768 . 1 1 66 66 GLY N N 15 112.562 0.04 . 1 . . 57 . . 66 GLY N . 27610 1 769 . 1 1 67 67 THR H H 1 8.035 0.005 . 1 . . 40 . . 67 THR H . 27610 1 770 . 1 1 67 67 THR HA H 1 4.341 0.014 . 1 . . 478 . . 67 THR HA . 27610 1 771 . 1 1 67 67 THR HB H 1 3.870 0.006 . 1 . . 479 . . 67 THR HB . 27610 1 772 . 1 1 67 67 THR HG21 H 1 0.635 0.003 . 1 . . 617 . . 67 THR HG21 . 27610 1 773 . 1 1 67 67 THR HG22 H 1 0.635 0.003 . 1 . . 617 . . 67 THR HG22 . 27610 1 774 . 1 1 67 67 THR HG23 H 1 0.635 0.003 . 1 . . 617 . . 67 THR HG23 . 27610 1 775 . 1 1 67 67 THR C C 13 171.489 . . 1 . . 871 . . 67 THR C . 27610 1 776 . 1 1 67 67 THR CA C 13 61.965 0.079 . 1 . . 222 . . 67 THR CA . 27610 1 777 . 1 1 67 67 THR CB C 13 71.282 0.069 . 1 . . 223 . . 67 THR CB . 27610 1 778 . 1 1 67 67 THR CG2 C 13 20.762 0.044 . 1 . . 340 . . 67 THR CG2 . 27610 1 779 . 1 1 67 67 THR N N 15 116.901 0.053 . 1 . . 41 . . 67 THR N . 27610 1 780 . 1 1 68 68 GLU H H 1 8.604 0.003 . 1 . . 126 . . 68 GLU H . 27610 1 781 . 1 1 68 68 GLU HA H 1 4.420 0.007 . 1 . . 480 . . 68 GLU HA . 27610 1 782 . 1 1 68 68 GLU HB2 H 1 2.010 0.004 . 2 . . 481 . . 68 GLU HB2 . 27610 1 783 . 1 1 68 68 GLU HB3 H 1 1.691 0.025 . 2 . . 482 . . 68 GLU HB3 . 27610 1 784 . 1 1 68 68 GLU C C 13 174.349 . . 1 . . 872 . . 68 GLU C . 27610 1 785 . 1 1 68 68 GLU CA C 13 56.189 0.015 . 1 . . 230 . . 68 GLU CA . 27610 1 786 . 1 1 68 68 GLU CB C 13 30.961 0.073 . 1 . . 234 . . 68 GLU CB . 27610 1 787 . 1 1 68 68 GLU CG C 13 37.679 . . 1 . . 341 . . 68 GLU CG . 27610 1 788 . 1 1 68 68 GLU N N 15 126.343 0.055 . 1 . . 127 . . 68 GLU N . 27610 1 789 . 1 1 69 69 TYR H H 1 8.618 0.005 . 1 . . 227 . . 69 TYR H . 27610 1 790 . 1 1 69 69 TYR HA H 1 5.100 0.003 . 1 . . 483 . . 69 TYR HA . 27610 1 791 . 1 1 69 69 TYR HB2 H 1 2.713 0.007 . 2 . . 484 . . 69 TYR HB2 . 27610 1 792 . 1 1 69 69 TYR HB3 H 1 2.713 0.007 . 2 . . 485 . . 69 TYR HB3 . 27610 1 793 . 1 1 69 69 TYR HD1 H 1 7.087 0.006 . 1 . . 947 . . 69 TYR HD1 . 27610 1 794 . 1 1 69 69 TYR HD2 H 1 7.087 0.006 . 1 . . 947 . . 69 TYR HD2 . 27610 1 795 . 1 1 69 69 TYR C C 13 175.960 . . 1 . . 873 . . 69 TYR C . 27610 1 796 . 1 1 69 69 TYR CA C 13 58.190 0.067 . 1 . . 229 . . 69 TYR CA . 27610 1 797 . 1 1 69 69 TYR CB C 13 41.835 0.082 . 1 . . 295 . . 69 TYR CB . 27610 1 798 . 1 1 69 69 TYR CD1 C 13 133.408 0.026 . 1 . . 946 . . 69 TYR CD1 . 27610 1 799 . 1 1 69 69 TYR CD2 C 13 133.408 0.026 . 1 . . 946 . . 69 TYR CD2 . 27610 1 800 . 1 1 69 69 TYR N N 15 126.225 0.076 . 1 . . 228 . . 69 TYR N . 27610 1 801 . 1 1 70 70 THR H H 1 9.154 0.005 . 1 . . 124 . . 70 THR H . 27610 1 802 . 1 1 70 70 THR HA H 1 4.816 0.015 . 1 . . 486 . . 70 THR HA . 27610 1 803 . 1 1 70 70 THR HB H 1 4.103 0.005 . 1 . . 487 . . 70 THR HB . 27610 1 804 . 1 1 70 70 THR HG21 H 1 0.791 0.004 . 1 . . 618 . . 70 THR HG21 . 27610 1 805 . 1 1 70 70 THR HG22 H 1 0.791 0.004 . 1 . . 618 . . 70 THR HG22 . 27610 1 806 . 1 1 70 70 THR HG23 H 1 0.791 0.004 . 1 . . 618 . . 70 THR HG23 . 27610 1 807 . 1 1 70 70 THR C C 13 172.921 . . 1 . . 874 . . 70 THR C . 27610 1 808 . 1 1 70 70 THR CA C 13 62.729 0.036 . 1 . . 161 . . 70 THR CA . 27610 1 809 . 1 1 70 70 THR CB C 13 69.561 0.026 . 1 . . 162 . . 70 THR CB . 27610 1 810 . 1 1 70 70 THR CG2 C 13 21.494 0.076 . 1 . . 342 . . 70 THR CG2 . 27610 1 811 . 1 1 70 70 THR N N 15 117.948 0.042 . 1 . . 125 . . 70 THR N . 27610 1 812 . 1 1 71 71 ILE H H 1 9.308 0.003 . 1 . . 122 . . 71 ILE H . 27610 1 813 . 1 1 71 71 ILE HA H 1 5.052 0.008 . 1 . . 488 . . 71 ILE HA . 27610 1 814 . 1 1 71 71 ILE HB H 1 1.810 0.012 . 1 . . 489 . . 71 ILE HB . 27610 1 815 . 1 1 71 71 ILE HG12 H 1 1.501 0.006 . 2 . . 620 . . 71 ILE HG12 . 27610 1 816 . 1 1 71 71 ILE HG13 H 1 1.413 0.009 . 2 . . 661 . . 71 ILE HG13 . 27610 1 817 . 1 1 71 71 ILE HG21 H 1 0.865 0.015 . 1 . . 619 . . 71 ILE HG21 . 27610 1 818 . 1 1 71 71 ILE HG22 H 1 0.865 0.015 . 1 . . 619 . . 71 ILE HG22 . 27610 1 819 . 1 1 71 71 ILE HG23 H 1 0.865 0.015 . 1 . . 619 . . 71 ILE HG23 . 27610 1 820 . 1 1 71 71 ILE HD11 H 1 0.796 0.004 . 1 . . 690 . . 71 ILE HD11 . 27610 1 821 . 1 1 71 71 ILE HD12 H 1 0.796 0.004 . 1 . . 690 . . 71 ILE HD12 . 27610 1 822 . 1 1 71 71 ILE HD13 H 1 0.796 0.004 . 1 . . 690 . . 71 ILE HD13 . 27610 1 823 . 1 1 71 71 ILE C C 13 172.866 . . 1 . . 875 . . 71 ILE C . 27610 1 824 . 1 1 71 71 ILE CA C 13 58.959 0.08 . 1 . . 159 . . 71 ILE CA . 27610 1 825 . 1 1 71 71 ILE CB C 13 40.035 0.108 . 1 . . 160 . . 71 ILE CB . 27610 1 826 . 1 1 71 71 ILE CG1 C 13 30.113 0.089 . 1 . . 343 . . 71 ILE CG1 . 27610 1 827 . 1 1 71 71 ILE CG2 C 13 18.995 0.123 . 1 . . 344 . . 71 ILE CG2 . 27610 1 828 . 1 1 71 71 ILE CD1 C 13 13.424 0.072 . 1 . . 562 . . 71 ILE CD1 . 27610 1 829 . 1 1 71 71 ILE N N 15 129.202 0.052 . 1 . . 123 . . 71 ILE N . 27610 1 830 . 1 1 72 72 TYR H H 1 9.118 0.005 . 1 . . 118 . . 72 TYR H . 27610 1 831 . 1 1 72 72 TYR HA H 1 5.205 0.008 . 1 . . 490 . . 72 TYR HA . 27610 1 832 . 1 1 72 72 TYR HB2 H 1 2.894 0.008 . 2 . . 491 . . 72 TYR HB2 . 27610 1 833 . 1 1 72 72 TYR HB3 H 1 2.475 0.002 . 2 . . 492 . . 72 TYR HB3 . 27610 1 834 . 1 1 72 72 TYR HD1 H 1 6.858 0.006 . 1 . . 953 . . 72 TYR HD1 . 27610 1 835 . 1 1 72 72 TYR HD2 H 1 6.858 0.006 . 1 . . 953 . . 72 TYR HD2 . 27610 1 836 . 1 1 72 72 TYR HE1 H 1 6.708 0.005 . 1 . . 954 . . 72 TYR HE1 . 27610 1 837 . 1 1 72 72 TYR HE2 H 1 6.708 0.005 . 1 . . 954 . . 72 TYR HE2 . 27610 1 838 . 1 1 72 72 TYR C C 13 175.137 . . 1 . . 876 . . 72 TYR C . 27610 1 839 . 1 1 72 72 TYR CA C 13 55.328 0.052 . 1 . . 158 . . 72 TYR CA . 27610 1 840 . 1 1 72 72 TYR CB C 13 40.831 0.049 . 1 . . 157 . . 72 TYR CB . 27610 1 841 . 1 1 72 72 TYR CD1 C 13 133.886 . . 1 . . 952 . . 72 TYR CD1 . 27610 1 842 . 1 1 72 72 TYR CD2 C 13 133.886 . . 1 . . 952 . . 72 TYR CD2 . 27610 1 843 . 1 1 72 72 TYR CE1 C 13 118.049 . . 1 . . 955 . . 72 TYR CE1 . 27610 1 844 . 1 1 72 72 TYR CE2 C 13 118.049 . . 1 . . 955 . . 72 TYR CE2 . 27610 1 845 . 1 1 72 72 TYR N N 15 122.363 0.06 . 1 . . 119 . . 72 TYR N . 27610 1 846 . 1 1 73 73 VAL H H 1 9.468 0.009 . 1 . . 48 . . 73 VAL H . 27610 1 847 . 1 1 73 73 VAL HA H 1 4.447 0.01 . 1 . . 493 . . 73 VAL HA . 27610 1 848 . 1 1 73 73 VAL HB H 1 1.624 0.005 . 1 . . 494 . . 73 VAL HB . 27610 1 849 . 1 1 73 73 VAL HG11 H 1 0.368 0.01 . 2 . . 621 . . 73 VAL HG11 . 27610 1 850 . 1 1 73 73 VAL HG12 H 1 0.368 0.01 . 2 . . 621 . . 73 VAL HG12 . 27610 1 851 . 1 1 73 73 VAL HG13 H 1 0.368 0.01 . 2 . . 621 . . 73 VAL HG13 . 27610 1 852 . 1 1 73 73 VAL HG21 H 1 -0.525 0.01 . 2 . . 622 . . 73 VAL HG21 . 27610 1 853 . 1 1 73 73 VAL HG22 H 1 -0.525 0.01 . 2 . . 622 . . 73 VAL HG22 . 27610 1 854 . 1 1 73 73 VAL HG23 H 1 -0.525 0.01 . 2 . . 622 . . 73 VAL HG23 . 27610 1 855 . 1 1 73 73 VAL C C 13 175.070 . . 1 . . 877 . . 73 VAL C . 27610 1 856 . 1 1 73 73 VAL CA C 13 62.225 0.062 . 1 . . 156 . . 73 VAL CA . 27610 1 857 . 1 1 73 73 VAL CB C 13 32.751 0.073 . 1 . . 155 . . 73 VAL CB . 27610 1 858 . 1 1 73 73 VAL CG1 C 13 20.165 0.017 . 2 . . 364 . . 73 VAL CG1 . 27610 1 859 . 1 1 73 73 VAL CG2 C 13 19.167 0.034 . 2 . . 363 . . 73 VAL CG2 . 27610 1 860 . 1 1 73 73 VAL N N 15 122.663 0.078 . 1 . . 49 . . 73 VAL N . 27610 1 861 . 1 1 74 74 ILE H H 1 9.115 0.003 . 1 . . 132 . . 74 ILE H . 27610 1 862 . 1 1 74 74 ILE HA H 1 4.007 0.006 . 1 . . 495 . . 74 ILE HA . 27610 1 863 . 1 1 74 74 ILE HB H 1 1.682 0.005 . 1 . . 496 . . 74 ILE HB . 27610 1 864 . 1 1 74 74 ILE HG12 H 1 1.321 0.012 . 2 . . 652 . . 74 ILE HG12 . 27610 1 865 . 1 1 74 74 ILE HG13 H 1 1.316 0.013 . 2 . . 653 . . 74 ILE HG13 . 27610 1 866 . 1 1 74 74 ILE HG21 H 1 0.879 0.015 . 1 . . 623 . . 74 ILE HG21 . 27610 1 867 . 1 1 74 74 ILE HG22 H 1 0.879 0.015 . 1 . . 623 . . 74 ILE HG22 . 27610 1 868 . 1 1 74 74 ILE HG23 H 1 0.879 0.015 . 1 . . 623 . . 74 ILE HG23 . 27610 1 869 . 1 1 74 74 ILE HD11 H 1 0.750 0.005 . 1 . . 691 . . 74 ILE HD11 . 27610 1 870 . 1 1 74 74 ILE HD12 H 1 0.750 0.005 . 1 . . 691 . . 74 ILE HD12 . 27610 1 871 . 1 1 74 74 ILE HD13 H 1 0.750 0.005 . 1 . . 691 . . 74 ILE HD13 . 27610 1 872 . 1 1 74 74 ILE C C 13 175.022 . . 1 . . 878 . . 74 ILE C . 27610 1 873 . 1 1 74 74 ILE CA C 13 60.543 0.046 . 1 . . 153 . . 74 ILE CA . 27610 1 874 . 1 1 74 74 ILE CB C 13 42.720 0.044 . 1 . . 154 . . 74 ILE CB . 27610 1 875 . 1 1 74 74 ILE CG1 C 13 28.909 0.088 . 1 . . 345 . . 74 ILE CG1 . 27610 1 876 . 1 1 74 74 ILE CG2 C 13 17.786 0.111 . 1 . . 346 . . 74 ILE CG2 . 27610 1 877 . 1 1 74 74 ILE CD1 C 13 14.674 0.086 . 1 . . 563 . . 74 ILE CD1 . 27610 1 878 . 1 1 74 74 ILE N N 15 128.476 0.053 . 1 . . 133 . . 74 ILE N . 27610 1 879 . 1 1 75 75 ALA H H 1 8.422 0.004 . 1 . . 110 . . 75 ALA H . 27610 1 880 . 1 1 75 75 ALA HA H 1 4.644 0.006 . 1 . . 542 . . 75 ALA HA . 27610 1 881 . 1 1 75 75 ALA HB1 H 1 1.323 0.004 . 1 . . 497 . . 75 ALA HB1 . 27610 1 882 . 1 1 75 75 ALA HB2 H 1 1.323 0.004 . 1 . . 497 . . 75 ALA HB2 . 27610 1 883 . 1 1 75 75 ALA HB3 H 1 1.323 0.004 . 1 . . 497 . . 75 ALA HB3 . 27610 1 884 . 1 1 75 75 ALA C C 13 175.137 . . 1 . . 879 . . 75 ALA C . 27610 1 885 . 1 1 75 75 ALA CA C 13 50.964 0.109 . 1 . . 152 . . 75 ALA CA . 27610 1 886 . 1 1 75 75 ALA CB C 13 21.376 0.088 . 1 . . 151 . . 75 ALA CB . 27610 1 887 . 1 1 75 75 ALA N N 15 127.451 0.061 . 1 . . 111 . . 75 ALA N . 27610 1 888 . 1 1 76 76 LEU H H 1 8.247 0.003 . 1 . . 63 . . 76 LEU H . 27610 1 889 . 1 1 76 76 LEU HA H 1 5.056 0.005 . 1 . . 498 . . 76 LEU HA . 27610 1 890 . 1 1 76 76 LEU HB2 H 1 1.218 0.021 . 2 . . 499 . . 76 LEU HB2 . 27610 1 891 . 1 1 76 76 LEU HB3 H 1 1.259 0.012 . 2 . . 500 . . 76 LEU HB3 . 27610 1 892 . 1 1 76 76 LEU HG H 1 1.258 0.012 . 1 . . 654 . . 76 LEU HG . 27610 1 893 . 1 1 76 76 LEU HD11 H 1 0.685 0.01 . 2 . . 624 . . 76 LEU HD11 . 27610 1 894 . 1 1 76 76 LEU HD12 H 1 0.685 0.01 . 2 . . 624 . . 76 LEU HD12 . 27610 1 895 . 1 1 76 76 LEU HD13 H 1 0.685 0.01 . 2 . . 624 . . 76 LEU HD13 . 27610 1 896 . 1 1 76 76 LEU HD21 H 1 0.676 0.01 . 2 . . 625 . . 76 LEU HD21 . 27610 1 897 . 1 1 76 76 LEU HD22 H 1 0.676 0.01 . 2 . . 625 . . 76 LEU HD22 . 27610 1 898 . 1 1 76 76 LEU HD23 H 1 0.676 0.01 . 2 . . 625 . . 76 LEU HD23 . 27610 1 899 . 1 1 76 76 LEU C C 13 176.456 . . 1 . . 880 . . 76 LEU C . 27610 1 900 . 1 1 76 76 LEU CA C 13 53.311 0.099 . 1 . . 149 . . 76 LEU CA . 27610 1 901 . 1 1 76 76 LEU CB C 13 44.933 0.086 . 1 . . 150 . . 76 LEU CB . 27610 1 902 . 1 1 76 76 LEU CG C 13 27.291 0.029 . 1 . . 347 . . 76 LEU CG . 27610 1 903 . 1 1 76 76 LEU CD1 C 13 24.081 0.056 . 2 . . 565 . . 76 LEU CD1 . 27610 1 904 . 1 1 76 76 LEU CD2 C 13 25.104 0.354 . 2 . . 564 . . 76 LEU CD2 . 27610 1 905 . 1 1 76 76 LEU N N 15 120.319 0.06 . 1 . . 64 . . 76 LEU N . 27610 1 906 . 1 1 77 77 LYS H H 1 8.505 0.004 . 1 . . 138 . . 77 LYS H . 27610 1 907 . 1 1 77 77 LYS HA H 1 4.773 . . 1 . . 960 . . 77 LYS HA . 27610 1 908 . 1 1 77 77 LYS HB2 H 1 1.605 . . 2 . . 967 . . 77 LYS HB2 . 27610 1 909 . 1 1 77 77 LYS HB3 H 1 1.826 . . 2 . . 968 . . 77 LYS HB3 . 27610 1 910 . 1 1 77 77 LYS HG2 H 1 1.325 . . 1 . . 969 . . 77 LYS HG2 . 27610 1 911 . 1 1 77 77 LYS HG3 H 1 1.325 . . 1 . . 970 . . 77 LYS HG3 . 27610 1 912 . 1 1 77 77 LYS CA C 13 56.029 0.026 . 1 . . 286 . . 77 LYS CA . 27610 1 913 . 1 1 77 77 LYS CB C 13 33.487 . . 1 . . 287 . . 77 LYS CB . 27610 1 914 . 1 1 77 77 LYS N N 15 121.768 0.034 . 1 . . 139 . . 77 LYS N . 27610 1 915 . 1 1 78 78 ASN HA H 1 4.068 0.009 . 1 . . 767 . . 78 ASN HA . 27610 1 916 . 1 1 78 78 ASN HB2 H 1 2.925 0.008 . 2 . . 769 . . 78 ASN HB2 . 27610 1 917 . 1 1 78 78 ASN HB3 H 1 3.148 0.004 . 2 . . 770 . . 78 ASN HB3 . 27610 1 918 . 1 1 78 78 ASN HD21 H 1 7.691 0.001 . 1 . . 818 . . 78 ASN HD21 . 27610 1 919 . 1 1 78 78 ASN HD22 H 1 7.009 0.001 . 1 . . 819 . . 78 ASN HD22 . 27610 1 920 . 1 1 78 78 ASN CA C 13 56.260 0.065 . 1 . . 766 . . 78 ASN CA . 27610 1 921 . 1 1 78 78 ASN CB C 13 37.023 0.049 . 1 . . 768 . . 78 ASN CB . 27610 1 922 . 1 1 78 78 ASN CG C 13 176.931 . . 1 . . 899 . . 78 ASN CG . 27610 1 923 . 1 1 78 78 ASN ND2 N 15 113.666 0.05 . 1 . . 817 . . 78 ASN ND2 . 27610 1 924 . 1 1 79 79 ASN HA H 1 4.722 0.006 . 1 . . 501 . . 79 ASN HA . 27610 1 925 . 1 1 79 79 ASN HB2 H 1 2.882 0.007 . 2 . . 502 . . 79 ASN HB2 . 27610 1 926 . 1 1 79 79 ASN HB3 H 1 2.850 0.015 . 2 . . 662 . . 79 ASN HB3 . 27610 1 927 . 1 1 79 79 ASN HD21 H 1 6.990 0.0 . 1 . . 84 . . 79 ASN HD21 . 27610 1 928 . 1 1 79 79 ASN HD22 H 1 7.615 0.001 . 1 . . 814 . . 79 ASN HD22 . 27610 1 929 . 1 1 79 79 ASN C C 13 174.804 . . 1 . . 881 . . 79 ASN C . 27610 1 930 . 1 1 79 79 ASN CA C 13 53.969 0.036 . 1 . . 308 . . 79 ASN CA . 27610 1 931 . 1 1 79 79 ASN CB C 13 38.643 0.036 . 1 . . 307 . . 79 ASN CB . 27610 1 932 . 1 1 79 79 ASN CG C 13 177.824 . . 1 . . 900 . . 79 ASN CG . 27610 1 933 . 1 1 79 79 ASN ND2 N 15 113.689 0.003 . 1 . . 85 . . 79 ASN ND2 . 27610 1 934 . 1 1 80 80 GLN H H 1 8.082 0.006 . 1 . . 116 . . 80 GLN H . 27610 1 935 . 1 1 80 80 GLN HA H 1 4.405 0.009 . 1 . . 503 . . 80 GLN HA . 27610 1 936 . 1 1 80 80 GLN HB2 H 1 2.123 0.008 . 2 . . 504 . . 80 GLN HB2 . 27610 1 937 . 1 1 80 80 GLN HB3 H 1 2.123 0.008 . 2 . . 505 . . 80 GLN HB3 . 27610 1 938 . 1 1 80 80 GLN HG2 H 1 2.342 0.015 . 1 . . 626 . . 80 GLN HG2 . 27610 1 939 . 1 1 80 80 GLN HG3 H 1 2.342 0.015 . 1 . . 627 . . 80 GLN HG3 . 27610 1 940 . 1 1 80 80 GLN HE21 H 1 7.523 0.001 . 1 . . 82 . . 80 GLN HE21 . 27610 1 941 . 1 1 80 80 GLN HE22 H 1 6.907 0.002 . 1 . . 107 . . 80 GLN HE22 . 27610 1 942 . 1 1 80 80 GLN C C 13 174.847 . . 1 . . 882 . . 80 GLN C . 27610 1 943 . 1 1 80 80 GLN CA C 13 55.506 0.054 . 1 . . 163 . . 80 GLN CA . 27610 1 944 . 1 1 80 80 GLN CB C 13 30.481 0.053 . 1 . . 164 . . 80 GLN CB . 27610 1 945 . 1 1 80 80 GLN CG C 13 34.123 0.063 . 1 . . 348 . . 80 GLN CG . 27610 1 946 . 1 1 80 80 GLN CD C 13 180.30 . . 1 . . 898 . . 80 GLN CD . 27610 1 947 . 1 1 80 80 GLN N N 15 121.105 0.061 . 1 . . 117 . . 80 GLN N . 27610 1 948 . 1 1 80 80 GLN NE2 N 15 112.048 0.011 . 1 . . 83 . . 80 GLN NE2 . 27610 1 949 . 1 1 81 81 LYS H H 1 8.545 0.005 . 1 . . 16 . . 81 LYS H . 27610 1 950 . 1 1 81 81 LYS HA H 1 4.943 0.004 . 1 . . 506 . . 81 LYS HA . 27610 1 951 . 1 1 81 81 LYS HB2 H 1 1.772 0.016 . 2 . . 507 . . 81 LYS HB2 . 27610 1 952 . 1 1 81 81 LYS HB3 H 1 1.607 0.01 . 2 . . 508 . . 81 LYS HB3 . 27610 1 953 . 1 1 81 81 LYS HG2 H 1 1.338 0.008 . 2 . . 663 . . 81 LYS HG2 . 27610 1 954 . 1 1 81 81 LYS HG3 H 1 1.200 0.006 . 2 . . 664 . . 81 LYS HG3 . 27610 1 955 . 1 1 81 81 LYS HD2 H 1 1.563 0.003 . 2 . . 692 . . 81 LYS HD2 . 27610 1 956 . 1 1 81 81 LYS HD3 H 1 1.602 0.003 . 2 . . 693 . . 81 LYS HD3 . 27610 1 957 . 1 1 81 81 LYS HE2 H 1 2.855 0.007 . 2 . . 694 . . 81 LYS HE2 . 27610 1 958 . 1 1 81 81 LYS HE3 H 1 2.879 0.005 . 2 . . 695 . . 81 LYS HE3 . 27610 1 959 . 1 1 81 81 LYS C C 13 176.841 . . 1 . . 883 . . 81 LYS C . 27610 1 960 . 1 1 81 81 LYS CA C 13 55.347 0.082 . 1 . . 197 . . 81 LYS CA . 27610 1 961 . 1 1 81 81 LYS CB C 13 35.222 0.08 . 1 . . 198 . . 81 LYS CB . 27610 1 962 . 1 1 81 81 LYS CG C 13 25.161 0.063 . 1 . . 349 . . 81 LYS CG . 27610 1 963 . 1 1 81 81 LYS CD C 13 29.671 0.06 . 1 . . 566 . . 81 LYS CD . 27610 1 964 . 1 1 81 81 LYS CE C 13 42.046 0.059 . 1 . . 567 . . 81 LYS CE . 27610 1 965 . 1 1 81 81 LYS N N 15 122.958 0.038 . 1 . . 17 . . 81 LYS N . 27610 1 966 . 1 1 82 82 SER H H 1 8.892 0.006 . 1 . . 50 . . 82 SER H . 27610 1 967 . 1 1 82 82 SER HA H 1 4.315 0.003 . 1 . . 509 . . 82 SER HA . 27610 1 968 . 1 1 82 82 SER HB2 H 1 3.850 0.006 . 2 . . 510 . . 82 SER HB2 . 27610 1 969 . 1 1 82 82 SER HB3 H 1 4.304 0.006 . 2 . . 665 . . 82 SER HB3 . 27610 1 970 . 1 1 82 82 SER C C 13 174.139 . . 1 . . 884 . . 82 SER C . 27610 1 971 . 1 1 82 82 SER CA C 13 58.192 0.08 . 1 . . 196 . . 82 SER CA . 27610 1 972 . 1 1 82 82 SER CB C 13 66.452 0.05 . 1 . . 195 . . 82 SER CB . 27610 1 973 . 1 1 82 82 SER N N 15 119.235 0.039 . 1 . . 51 . . 82 SER N . 27610 1 974 . 1 1 83 83 GLU H H 1 8.623 0.001 . 1 . . 61 . . 83 GLU H . 27610 1 975 . 1 1 83 83 GLU HA H 1 4.499 0.004 . 1 . . 901 . . 83 GLU HA . 27610 1 976 . 1 1 83 83 GLU HB2 H 1 1.920 0.004 . 2 . . 902 . . 83 GLU HB2 . 27610 1 977 . 1 1 83 83 GLU HB3 H 1 2.124 0.004 . 2 . . 903 . . 83 GLU HB3 . 27610 1 978 . 1 1 83 83 GLU HG2 H 1 2.390 0.003 . 1 . . 908 . . 83 GLU HG2 . 27610 1 979 . 1 1 83 83 GLU HG3 H 1 2.390 0.003 . 1 . . 909 . . 83 GLU HG3 . 27610 1 980 . 1 1 83 83 GLU CA C 13 55.407 0.029 . 1 . . 309 . . 83 GLU CA . 27610 1 981 . 1 1 83 83 GLU CB C 13 29.107 0.004 . 1 . . 310 . . 83 GLU CB . 27610 1 982 . 1 1 83 83 GLU CG C 13 36.321 0.111 . 1 . . 907 . . 83 GLU CG . 27610 1 983 . 1 1 83 83 GLU N N 15 119.575 0.052 . 1 . . 62 . . 83 GLU N . 27610 1 984 . 1 1 84 84 PRO HA H 1 4.547 0.004 . 1 . . 511 . . 84 PRO HA . 27610 1 985 . 1 1 84 84 PRO HB2 H 1 2.040 0.003 . 2 . . 512 . . 84 PRO HB2 . 27610 1 986 . 1 1 84 84 PRO HB3 H 1 1.830 0.003 . 2 . . 513 . . 84 PRO HB3 . 27610 1 987 . 1 1 84 84 PRO HG2 H 1 2.273 0.01 . 2 . . 655 . . 84 PRO HG2 . 27610 1 988 . 1 1 84 84 PRO HG3 H 1 2.159 0.003 . 2 . . 666 . . 84 PRO HG3 . 27610 1 989 . 1 1 84 84 PRO HD2 H 1 3.847 0.005 . 1 . . 904 . . 84 PRO HD2 . 27610 1 990 . 1 1 84 84 PRO HD3 H 1 3.847 0.005 . 1 . . 906 . . 84 PRO HD3 . 27610 1 991 . 1 1 84 84 PRO C C 13 176.218 . . 1 . . 885 . . 84 PRO C . 27610 1 992 . 1 1 84 84 PRO CA C 13 62.671 0.129 . 1 . . 311 . . 84 PRO CA . 27610 1 993 . 1 1 84 84 PRO CB C 13 32.204 0.005 . 1 . . 233 . . 84 PRO CB . 27610 1 994 . 1 1 84 84 PRO CG C 13 27.264 0.064 . 1 . . 350 . . 84 PRO CG . 27610 1 995 . 1 1 84 84 PRO CD C 13 50.066 0.004 . 1 . . 905 . . 84 PRO CD . 27610 1 996 . 1 1 85 85 LEU H H 1 8.950 0.002 . 1 . . 86 . . 85 LEU H . 27610 1 997 . 1 1 85 85 LEU HA H 1 4.579 0.006 . 1 . . 514 . . 85 LEU HA . 27610 1 998 . 1 1 85 85 LEU HB2 H 1 1.875 0.008 . 2 . . 515 . . 85 LEU HB2 . 27610 1 999 . 1 1 85 85 LEU HB3 H 1 1.378 0.004 . 2 . . 516 . . 85 LEU HB3 . 27610 1 1000 . 1 1 85 85 LEU HG H 1 1.335 0.011 . 1 . . 775 . . 85 LEU HG . 27610 1 1001 . 1 1 85 85 LEU HD11 H 1 0.562 0.01 . 2 . . 628 . . 85 LEU HD11 . 27610 1 1002 . 1 1 85 85 LEU HD12 H 1 0.562 0.01 . 2 . . 628 . . 85 LEU HD12 . 27610 1 1003 . 1 1 85 85 LEU HD13 H 1 0.562 0.01 . 2 . . 628 . . 85 LEU HD13 . 27610 1 1004 . 1 1 85 85 LEU HD21 H 1 1.058 0.008 . 2 . . 656 . . 85 LEU HD21 . 27610 1 1005 . 1 1 85 85 LEU HD22 H 1 1.058 0.008 . 2 . . 656 . . 85 LEU HD22 . 27610 1 1006 . 1 1 85 85 LEU HD23 H 1 1.058 0.008 . 2 . . 656 . . 85 LEU HD23 . 27610 1 1007 . 1 1 85 85 LEU C C 13 174.992 . . 1 . . 886 . . 85 LEU C . 27610 1 1008 . 1 1 85 85 LEU CA C 13 54.408 0.061 . 1 . . 189 . . 85 LEU CA . 27610 1 1009 . 1 1 85 85 LEU CB C 13 42.809 0.057 . 1 . . 190 . . 85 LEU CB . 27610 1 1010 . 1 1 85 85 LEU CG C 13 26.880 0.0 . 1 . . 774 . . 85 LEU CG . 27610 1 1011 . 1 1 85 85 LEU CD1 C 13 26.848 0.032 . 2 . . 568 . . 85 LEU CD1 . 27610 1 1012 . 1 1 85 85 LEU CD2 C 13 22.102 0.065 . 2 . . 569 . . 85 LEU CD2 . 27610 1 1013 . 1 1 85 85 LEU N N 15 126.601 0.046 . 1 . . 87 . . 85 LEU N . 27610 1 1014 . 1 1 86 86 ILE H H 1 8.378 0.007 . 1 . . 100 . . 86 ILE H . 27610 1 1015 . 1 1 86 86 ILE HA H 1 5.307 0.009 . 1 . . 517 . . 86 ILE HA . 27610 1 1016 . 1 1 86 86 ILE HB H 1 1.420 0.006 . 1 . . 518 . . 86 ILE HB . 27610 1 1017 . 1 1 86 86 ILE HG12 H 1 0.661 0.005 . 2 . . 629 . . 86 ILE HG12 . 27610 1 1018 . 1 1 86 86 ILE HG13 H 1 0.671 0.003 . 2 . . 630 . . 86 ILE HG13 . 27610 1 1019 . 1 1 86 86 ILE HG21 H 1 0.475 0.007 . 1 . . 631 . . 86 ILE HG21 . 27610 1 1020 . 1 1 86 86 ILE HG22 H 1 0.475 0.007 . 1 . . 631 . . 86 ILE HG22 . 27610 1 1021 . 1 1 86 86 ILE HG23 H 1 0.475 0.007 . 1 . . 631 . . 86 ILE HG23 . 27610 1 1022 . 1 1 86 86 ILE HD11 H 1 0.851 0.006 . 1 . . 696 . . 86 ILE HD11 . 27610 1 1023 . 1 1 86 86 ILE HD12 H 1 0.851 0.006 . 1 . . 696 . . 86 ILE HD12 . 27610 1 1024 . 1 1 86 86 ILE HD13 H 1 0.851 0.006 . 1 . . 696 . . 86 ILE HD13 . 27610 1 1025 . 1 1 86 86 ILE C C 13 177.023 . . 1 . . 887 . . 86 ILE C . 27610 1 1026 . 1 1 86 86 ILE CA C 13 60.095 0.04 . 1 . . 187 . . 86 ILE CA . 27610 1 1027 . 1 1 86 86 ILE CB C 13 41.192 0.128 . 1 . . 188 . . 86 ILE CB . 27610 1 1028 . 1 1 86 86 ILE CG1 C 13 27.810 0.062 . 1 . . 351 . . 86 ILE CG1 . 27610 1 1029 . 1 1 86 86 ILE CG2 C 13 17.032 0.032 . 1 . . 352 . . 86 ILE CG2 . 27610 1 1030 . 1 1 86 86 ILE CD1 C 13 14.109 0.095 . 1 . . 570 . . 86 ILE CD1 . 27610 1 1031 . 1 1 86 86 ILE N N 15 126.540 0.041 . 1 . . 101 . . 86 ILE N . 27610 1 1032 . 1 1 87 87 GLY H H 1 8.689 0.004 . 1 . . 130 . . 87 GLY H . 27610 1 1033 . 1 1 87 87 GLY HA2 H 1 3.850 0.011 . 2 . . 519 . . 87 GLY HA2 . 27610 1 1034 . 1 1 87 87 GLY HA3 H 1 4.558 0.009 . 2 . . 755 . . 87 GLY HA3 . 27610 1 1035 . 1 1 87 87 GLY C C 13 170.604 . . 1 . . 888 . . 87 GLY C . 27610 1 1036 . 1 1 87 87 GLY CA C 13 44.941 0.082 . 1 . . 186 . . 87 GLY CA . 27610 1 1037 . 1 1 87 87 GLY N N 15 114.132 0.043 . 1 . . 131 . . 87 GLY N . 27610 1 1038 . 1 1 88 88 ARG H H 1 8.537 0.008 . 1 . . 141 . . 88 ARG H . 27610 1 1039 . 1 1 88 88 ARG HA H 1 5.630 0.005 . 1 . . 520 . . 88 ARG HA . 27610 1 1040 . 1 1 88 88 ARG HB2 H 1 1.576 0.027 . 2 . . 521 . . 88 ARG HB2 . 27610 1 1041 . 1 1 88 88 ARG HB3 H 1 1.617 0.004 . 2 . . 667 . . 88 ARG HB3 . 27610 1 1042 . 1 1 88 88 ARG HG2 H 1 1.477 0.005 . 1 . . 632 . . 88 ARG HG2 . 27610 1 1043 . 1 1 88 88 ARG HG3 H 1 1.477 0.005 . 1 . . 633 . . 88 ARG HG3 . 27610 1 1044 . 1 1 88 88 ARG HD2 H 1 3.030 0.005 . 1 . . 697 . . 88 ARG HD2 . 27610 1 1045 . 1 1 88 88 ARG HD3 H 1 3.030 0.005 . 1 . . 698 . . 88 ARG HD3 . 27610 1 1046 . 1 1 88 88 ARG C C 13 174.650 . . 1 . . 889 . . 88 ARG C . 27610 1 1047 . 1 1 88 88 ARG CA C 13 54.800 0.057 . 1 . . 184 . . 88 ARG CA . 27610 1 1048 . 1 1 88 88 ARG CB C 13 34.126 0.058 . 1 . . 185 . . 88 ARG CB . 27610 1 1049 . 1 1 88 88 ARG CG C 13 27.579 0.06 . 1 . . 353 . . 88 ARG CG . 27610 1 1050 . 1 1 88 88 ARG CD C 13 43.510 0.068 . 1 . . 571 . . 88 ARG CD . 27610 1 1051 . 1 1 88 88 ARG N N 15 119.229 0.037 . 1 . . 140 . . 88 ARG N . 27610 1 1052 . 1 1 89 89 LYS H H 1 8.616 0.007 . 1 . . 32 . . 89 LYS H . 27610 1 1053 . 1 1 89 89 LYS HA H 1 4.190 0.003 . 1 . . 522 . . 89 LYS HA . 27610 1 1054 . 1 1 89 89 LYS HB2 H 1 0.918 0.013 . 2 . . 543 . . 89 LYS HB2 . 27610 1 1055 . 1 1 89 89 LYS HB3 H 1 0.148 0.005 . 2 . . 544 . . 89 LYS HB3 . 27610 1 1056 . 1 1 89 89 LYS HG2 H 1 1.046 0.0 . 2 . . 699 . . 89 LYS HG2 . 27610 1 1057 . 1 1 89 89 LYS HG3 H 1 0.810 0.002 . 2 . . 700 . . 89 LYS HG3 . 27610 1 1058 . 1 1 89 89 LYS HD2 H 1 1.187 0.006 . 1 . . 703 . . 89 LYS HD2 . 27610 1 1059 . 1 1 89 89 LYS HD3 H 1 1.187 0.006 . 1 . . 704 . . 89 LYS HD3 . 27610 1 1060 . 1 1 89 89 LYS HE2 H 1 2.819 0.005 . 1 . . 701 . . 89 LYS HE2 . 27610 1 1061 . 1 1 89 89 LYS HE3 H 1 2.819 0.005 . 1 . . 702 . . 89 LYS HE3 . 27610 1 1062 . 1 1 89 89 LYS C C 13 173.270 . . 1 . . 890 . . 89 LYS C . 27610 1 1063 . 1 1 89 89 LYS CA C 13 54.462 0.071 . 1 . . 288 . . 89 LYS CA . 27610 1 1064 . 1 1 89 89 LYS CB C 13 35.306 0.037 . 1 . . 289 . . 89 LYS CB . 27610 1 1065 . 1 1 89 89 LYS CG C 13 24.919 0.0 . 1 . . 354 . . 89 LYS CG . 27610 1 1066 . 1 1 89 89 LYS CD C 13 28.054 0.096 . 1 . . 573 . . 89 LYS CD . 27610 1 1067 . 1 1 89 89 LYS CE C 13 42.666 0.001 . 1 . . 572 . . 89 LYS CE . 27610 1 1068 . 1 1 89 89 LYS N N 15 122.254 0.041 . 1 . . 33 . . 89 LYS N . 27610 1 1069 . 1 1 90 90 LYS H H 1 8.120 0.002 . 1 . . 30 . . 90 LYS H . 27610 1 1070 . 1 1 90 90 LYS HA H 1 5.228 0.008 . 1 . . 523 . . 90 LYS HA . 27610 1 1071 . 1 1 90 90 LYS HB2 H 1 1.828 0.01 . 2 . . 524 . . 90 LYS HB2 . 27610 1 1072 . 1 1 90 90 LYS HB3 H 1 1.593 0.011 . 2 . . 525 . . 90 LYS HB3 . 27610 1 1073 . 1 1 90 90 LYS HG2 H 1 1.178 0.008 . 2 . . 634 . . 90 LYS HG2 . 27610 1 1074 . 1 1 90 90 LYS HG3 H 1 1.593 0.007 . 2 . . 765 . . 90 LYS HG3 . 27610 1 1075 . 1 1 90 90 LYS HE2 H 1 2.851 . . 2 . . 958 . . 90 LYS HE2 . 27610 1 1076 . 1 1 90 90 LYS HE3 H 1 2.853 . . 2 . . 959 . . 90 LYS HE3 . 27610 1 1077 . 1 1 90 90 LYS C C 13 176.876 . . 1 . . 891 . . 90 LYS C . 27610 1 1078 . 1 1 90 90 LYS CA C 13 55.230 0.123 . 1 . . 216 . . 90 LYS CA . 27610 1 1079 . 1 1 90 90 LYS CB C 13 34.341 0.064 . 1 . . 217 . . 90 LYS CB . 27610 1 1080 . 1 1 90 90 LYS CG C 13 25.053 0.085 . 1 . . 355 . . 90 LYS CG . 27610 1 1081 . 1 1 90 90 LYS CD C 13 29.735 . . 1 . . 574 . . 90 LYS CD . 27610 1 1082 . 1 1 90 90 LYS CE C 13 42.078 . . 1 . . 575 . . 90 LYS CE . 27610 1 1083 . 1 1 90 90 LYS N N 15 127.134 0.047 . 1 . . 31 . . 90 LYS N . 27610 1 1084 . 1 1 91 91 THR H H 1 8.702 0.003 . 1 . . 65 . . 91 THR H . 27610 1 1085 . 1 1 91 91 THR HA H 1 4.026 0.003 . 1 . . 705 . . 91 THR HA . 27610 1 1086 . 1 1 91 91 THR HB H 1 4.755 0.003 . 1 . . 708 . . 91 THR HB . 27610 1 1087 . 1 1 91 91 THR HG21 H 1 1.132 0.005 . 1 . . 707 . . 91 THR HG21 . 27610 1 1088 . 1 1 91 91 THR HG22 H 1 1.132 0.005 . 1 . . 707 . . 91 THR HG22 . 27610 1 1089 . 1 1 91 91 THR HG23 H 1 1.132 0.005 . 1 . . 707 . . 91 THR HG23 . 27610 1 1090 . 1 1 91 91 THR CA C 13 62.834 0.028 . 1 . . 290 . . 91 THR CA . 27610 1 1091 . 1 1 91 91 THR CB C 13 70.238 0.042 . 1 . . 291 . . 91 THR CB . 27610 1 1092 . 1 1 91 91 THR CG2 C 13 23.774 0.048 . 1 . . 706 . . 91 THR CG2 . 27610 1 1093 . 1 1 91 91 THR N N 15 123.096 0.055 . 1 . . 66 . . 91 THR N . 27610 1 stop_ save_