data_26970 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26970 _Entry.Title ; Chemical shifts of Lc-LTP2 in complex with DMPG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-14 _Entry.Accession_date 2016-12-14 _Entry.Last_release_date 2016-12-15 _Entry.Original_release_date 2016-12-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Konstantin Mineev . S. . . 26970 2 Shenkarev Zakhar . O. . . 26970 3 Arseniev Alexander . S. . . 26970 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26970 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 26970 '15N chemical shifts' 97 26970 '1H chemical shifts' 616 26970 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-04-26 . original BMRB . 26970 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26971 'Lc-LTP2 in complex with DHPC' 26970 BMRB 34036 'Spatial structure of the lentil lipid transfer protein in complex with anionic lysolipid LPPG' 26970 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26970 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.6b01079 _Citation.PubMed_ID 28266846 _Citation.Full_citation . _Citation.Title ; Ligand Binding Properties of the Lentil Lipid Transfer Protein: Molecular Insight into the Possible Mechanism of Lipid Uptake ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 56 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 1785 _Citation.Page_last 1796 _Citation.Year 2017 _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 Zakhar Shenkarev Z. O. . . 26970 1 2 Daria Melnikova D. N. . . 26970 1 3 Ekaterina Finkina E. I. . . 26970 1 4 Stanislav Sukhanov S. V. . . 26970 1 5 Ivan Boldyrev I. A. . . 26970 1 6 Albina Gizatullina A. K. . . 26970 1 7 Konstantin Mineev K. S. . . 26970 1 8 Alexander Arseniev A. S. . . 26970 1 9 Tatiana Ovchinnikova T. V. . . 26970 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26970 _Assembly.ID 1 _Assembly.Name lc-ltp2/DMPG _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Lc-LTP2 in complex with DMPG' _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 Ltp2 1 $Ltp2 A . yes native no no . . . 26970 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ltp2 _Entity.Sf_category entity _Entity.Sf_framecode Ltp2 _Entity.Entry_ID 26970 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ltp2 _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 ; AISCGAVTSDLSPCLTYLTG GPGPSPQCCGGVKKLLAAAN TTPDRQAACNCLKSAAGSIT KLNTNNAAALPGKCGVNIPY KISTTTNCNTVKF ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP A0AT29 . . . . . . . . . . . . . . . . 26970 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Lipid tramsfer protein' 26970 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 26970 1 2 . ILE . 26970 1 3 . SER . 26970 1 4 . CYS . 26970 1 5 . GLY . 26970 1 6 . ALA . 26970 1 7 . VAL . 26970 1 8 . THR . 26970 1 9 . SER . 26970 1 10 . ASP . 26970 1 11 . LEU . 26970 1 12 . SER . 26970 1 13 . PRO . 26970 1 14 . CYS . 26970 1 15 . LEU . 26970 1 16 . THR . 26970 1 17 . TYR . 26970 1 18 . LEU . 26970 1 19 . THR . 26970 1 20 . GLY . 26970 1 21 . GLY . 26970 1 22 . PRO . 26970 1 23 . GLY . 26970 1 24 . PRO . 26970 1 25 . SER . 26970 1 26 . PRO . 26970 1 27 . GLN . 26970 1 28 . CYS . 26970 1 29 . CYS . 26970 1 30 . GLY . 26970 1 31 . GLY . 26970 1 32 . VAL . 26970 1 33 . LYS . 26970 1 34 . LYS . 26970 1 35 . LEU . 26970 1 36 . LEU . 26970 1 37 . ALA . 26970 1 38 . ALA . 26970 1 39 . ALA . 26970 1 40 . ASN . 26970 1 41 . THR . 26970 1 42 . THR . 26970 1 43 . PRO . 26970 1 44 . ASP . 26970 1 45 . ARG . 26970 1 46 . GLN . 26970 1 47 . ALA . 26970 1 48 . ALA . 26970 1 49 . CYS . 26970 1 50 . ASN . 26970 1 51 . CYS . 26970 1 52 . LEU . 26970 1 53 . LYS . 26970 1 54 . SER . 26970 1 55 . ALA . 26970 1 56 . ALA . 26970 1 57 . GLY . 26970 1 58 . SER . 26970 1 59 . ILE . 26970 1 60 . THR . 26970 1 61 . LYS . 26970 1 62 . LEU . 26970 1 63 . ASN . 26970 1 64 . THR . 26970 1 65 . ASN . 26970 1 66 . ASN . 26970 1 67 . ALA . 26970 1 68 . ALA . 26970 1 69 . ALA . 26970 1 70 . LEU . 26970 1 71 . PRO . 26970 1 72 . GLY . 26970 1 73 . LYS . 26970 1 74 . CYS . 26970 1 75 . GLY . 26970 1 76 . VAL . 26970 1 77 . ASN . 26970 1 78 . ILE . 26970 1 79 . PRO . 26970 1 80 . TYR . 26970 1 81 . LYS . 26970 1 82 . ILE . 26970 1 83 . SER . 26970 1 84 . THR . 26970 1 85 . THR . 26970 1 86 . THR . 26970 1 87 . ASN . 26970 1 88 . CYS . 26970 1 89 . ASN . 26970 1 90 . THR . 26970 1 91 . VAL . 26970 1 92 . LYS . 26970 1 93 . PHE . 26970 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 . ALA 1 1 26970 1 . ILE 2 2 26970 1 . SER 3 3 26970 1 . CYS 4 4 26970 1 . GLY 5 5 26970 1 . ALA 6 6 26970 1 . VAL 7 7 26970 1 . THR 8 8 26970 1 . SER 9 9 26970 1 . ASP 10 10 26970 1 . LEU 11 11 26970 1 . SER 12 12 26970 1 . PRO 13 13 26970 1 . CYS 14 14 26970 1 . LEU 15 15 26970 1 . THR 16 16 26970 1 . TYR 17 17 26970 1 . LEU 18 18 26970 1 . THR 19 19 26970 1 . GLY 20 20 26970 1 . GLY 21 21 26970 1 . PRO 22 22 26970 1 . GLY 23 23 26970 1 . PRO 24 24 26970 1 . SER 25 25 26970 1 . PRO 26 26 26970 1 . GLN 27 27 26970 1 . CYS 28 28 26970 1 . CYS 29 29 26970 1 . GLY 30 30 26970 1 . GLY 31 31 26970 1 . VAL 32 32 26970 1 . LYS 33 33 26970 1 . LYS 34 34 26970 1 . LEU 35 35 26970 1 . LEU 36 36 26970 1 . ALA 37 37 26970 1 . ALA 38 38 26970 1 . ALA 39 39 26970 1 . ASN 40 40 26970 1 . THR 41 41 26970 1 . THR 42 42 26970 1 . PRO 43 43 26970 1 . ASP 44 44 26970 1 . ARG 45 45 26970 1 . GLN 46 46 26970 1 . ALA 47 47 26970 1 . ALA 48 48 26970 1 . CYS 49 49 26970 1 . ASN 50 50 26970 1 . CYS 51 51 26970 1 . LEU 52 52 26970 1 . LYS 53 53 26970 1 . SER 54 54 26970 1 . ALA 55 55 26970 1 . ALA 56 56 26970 1 . GLY 57 57 26970 1 . SER 58 58 26970 1 . ILE 59 59 26970 1 . THR 60 60 26970 1 . LYS 61 61 26970 1 . LEU 62 62 26970 1 . ASN 63 63 26970 1 . THR 64 64 26970 1 . ASN 65 65 26970 1 . ASN 66 66 26970 1 . ALA 67 67 26970 1 . ALA 68 68 26970 1 . ALA 69 69 26970 1 . LEU 70 70 26970 1 . PRO 71 71 26970 1 . GLY 72 72 26970 1 . LYS 73 73 26970 1 . CYS 74 74 26970 1 . GLY 75 75 26970 1 . VAL 76 76 26970 1 . ASN 77 77 26970 1 . ILE 78 78 26970 1 . PRO 79 79 26970 1 . TYR 80 80 26970 1 . LYS 81 81 26970 1 . ILE 82 82 26970 1 . SER 83 83 26970 1 . THR 84 84 26970 1 . THR 85 85 26970 1 . THR 86 86 26970 1 . ASN 87 87 26970 1 . CYS 88 88 26970 1 . ASN 89 89 26970 1 . THR 90 90 26970 1 . VAL 91 91 26970 1 . LYS 92 92 26970 1 . PHE 93 93 26970 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 26970 _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 $Ltp2 . 3864 organism . 'lens culinaris' lentil . . Eukaryota Viridiplantae lens culinaris . . . . . . . . . . . . . 26970 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 26970 _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 $Ltp2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . BL21 . . . 26970 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26970 _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 Ltp2 '[U-100% 13C; U-100% 15N]' . . 1 $Ltp2 . . 1 . . mM . . . . 26970 1 2 DMPG 'natural abundance' . . . . . . 5 . . mM . . . . 26970 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 26970 _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' 10 . mM 26970 1 pH 5.7 . pH 26970 1 pressure 1 . atm 26970 1 temperature 303 . K 26970 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26970 _Software.ID 1 _Software.Name CARA _Software.Version 1.9.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26970 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26970 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode av600 _NMR_spectrometer.Entry_ID 26970 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26970 _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 av600 Bruker Avance . 600 . . . 26970 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 26970 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 26970 1 2 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $av600 . . . . . . . . . . . . . . . . 26970 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 26970 _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 . . . . . 26970 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26970 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26970 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 26970 _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 '3D HNCACB' . . . 26970 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 26970 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.269 0.020 . 1 . . . . 1 ALA HA . 26970 1 2 . 1 1 1 1 ALA HB1 H 1 1.485 0.020 . 1 . . . . 1 ALA HB1 . 26970 1 3 . 1 1 1 1 ALA HB2 H 1 1.485 0.020 . 1 . . . . 1 ALA HB2 . 26970 1 4 . 1 1 1 1 ALA HB3 H 1 1.485 0.020 . 1 . . . . 1 ALA HB3 . 26970 1 5 . 1 1 1 1 ALA C C 13 173.005 0.400 . 1 . . . . 1 ALA C . 26970 1 6 . 1 1 1 1 ALA CA C 13 50.982 0.400 . 1 . . . . 1 ALA CA . 26970 1 7 . 1 1 1 1 ALA CB C 13 18.869 0.400 . 1 . . . . 1 ALA CB . 26970 1 8 . 1 1 2 2 ILE H H 1 8.529 0.020 . 1 . . . . 2 ILE H . 26970 1 9 . 1 1 2 2 ILE HA H 1 4.289 0.020 . 1 . . . . 2 ILE HA . 26970 1 10 . 1 1 2 2 ILE HB H 1 1.820 0.020 . 1 . . . . 2 ILE HB . 26970 1 11 . 1 1 2 2 ILE HG12 H 1 1.338 0.020 . 2 . . . . 2 ILE HG12 . 26970 1 12 . 1 1 2 2 ILE HG13 H 1 1.581 0.020 . 2 . . . . 2 ILE HG13 . 26970 1 13 . 1 1 2 2 ILE HG21 H 1 0.795 0.020 . 1 . . . . 2 ILE HG21 . 26970 1 14 . 1 1 2 2 ILE HG22 H 1 0.795 0.020 . 1 . . . . 2 ILE HG22 . 26970 1 15 . 1 1 2 2 ILE HG23 H 1 0.795 0.020 . 1 . . . . 2 ILE HG23 . 26970 1 16 . 1 1 2 2 ILE HD11 H 1 0.736 0.020 . 1 . . . . 2 ILE HD11 . 26970 1 17 . 1 1 2 2 ILE HD12 H 1 0.736 0.020 . 1 . . . . 2 ILE HD12 . 26970 1 18 . 1 1 2 2 ILE HD13 H 1 0.736 0.020 . 1 . . . . 2 ILE HD13 . 26970 1 19 . 1 1 2 2 ILE C C 13 172.670 0.400 . 1 . . . . 2 ILE C . 26970 1 20 . 1 1 2 2 ILE CA C 13 59.306 0.400 . 1 . . . . 2 ILE CA . 26970 1 21 . 1 1 2 2 ILE CB C 13 38.609 0.400 . 1 . . . . 2 ILE CB . 26970 1 22 . 1 1 2 2 ILE CG1 C 13 26.955 0.400 . 1 . . . . 2 ILE CG1 . 26970 1 23 . 1 1 2 2 ILE CG2 C 13 16.258 0.400 . 1 . . . . 2 ILE CG2 . 26970 1 24 . 1 1 2 2 ILE CD1 C 13 12.051 0.400 . 1 . . . . 2 ILE CD1 . 26970 1 25 . 1 1 2 2 ILE N N 15 121.190 0.400 . 1 . . . . 2 ILE N . 26970 1 26 . 1 1 3 3 SER H H 1 8.086 0.020 . 1 . . . . 3 SER H . 26970 1 27 . 1 1 3 3 SER HA H 1 4.761 0.020 . 1 . . . . 3 SER HA . 26970 1 28 . 1 1 3 3 SER HB2 H 1 3.966 0.020 . 2 . . . . 3 SER HB2 . 26970 1 29 . 1 1 3 3 SER HB3 H 1 4.168 0.020 . 2 . . . . 3 SER HB3 . 26970 1 30 . 1 1 3 3 SER HG H 1 4.754 0.020 . 1 . . . . 3 SER HG . 26970 1 31 . 1 1 3 3 SER CA C 13 55.188 0.400 . 1 . . . . 3 SER CA . 26970 1 32 . 1 1 3 3 SER CB C 13 64.559 0.400 . 1 . . . . 3 SER CB . 26970 1 33 . 1 1 3 3 SER N N 15 119.867 0.400 . 1 . . . . 3 SER N . 26970 1 34 . 1 1 4 4 CYS H H 1 9.382 0.020 . 1 . . . . 4 CYS H . 26970 1 35 . 1 1 4 4 CYS HA H 1 4.764 0.020 . 1 . . . . 4 CYS HA . 26970 1 36 . 1 1 4 4 CYS HB2 H 1 3.378 0.020 . 2 . . . . 4 CYS HB2 . 26970 1 37 . 1 1 4 4 CYS HB3 H 1 2.933 0.020 . 2 . . . . 4 CYS HB3 . 26970 1 38 . 1 1 4 4 CYS C C 13 177.205 0.400 . 1 . . . . 4 CYS C . 26970 1 39 . 1 1 4 4 CYS CA C 13 54.414 0.400 . 1 . . . . 4 CYS CA . 26970 1 40 . 1 1 4 4 CYS CB C 13 31.297 0.400 . 1 . . . . 4 CYS CB . 26970 1 41 . 1 1 4 4 CYS N N 15 121.225 0.400 . 1 . . . . 4 CYS N . 26970 1 42 . 1 1 5 5 GLY H H 1 8.859 0.020 . 1 . . . . 5 GLY H . 26970 1 43 . 1 1 5 5 GLY HA2 H 1 3.874 0.020 . 2 . . . . 5 GLY HA2 . 26970 1 44 . 1 1 5 5 GLY HA3 H 1 3.874 0.020 . 2 . . . . 5 GLY HA3 . 26970 1 45 . 1 1 5 5 GLY C C 13 175.290 0.400 . 1 . . . . 5 GLY C . 26970 1 46 . 1 1 5 5 GLY CA C 13 46.390 0.400 . 1 . . . . 5 GLY CA . 26970 1 47 . 1 1 5 5 GLY N N 15 110.080 0.400 . 1 . . . . 5 GLY N . 26970 1 48 . 1 1 6 6 ALA H H 1 7.534 0.020 . 1 . . . . 6 ALA H . 26970 1 49 . 1 1 6 6 ALA HA H 1 4.214 0.020 . 1 . . . . 6 ALA HA . 26970 1 50 . 1 1 6 6 ALA HB1 H 1 1.541 0.020 . 1 . . . . 6 ALA HB1 . 26970 1 51 . 1 1 6 6 ALA HB2 H 1 1.541 0.020 . 1 . . . . 6 ALA HB2 . 26970 1 52 . 1 1 6 6 ALA HB3 H 1 1.541 0.020 . 1 . . . . 6 ALA HB3 . 26970 1 53 . 1 1 6 6 ALA C C 13 178.557 0.400 . 1 . . . . 6 ALA C . 26970 1 54 . 1 1 6 6 ALA CA C 13 54.239 0.400 . 1 . . . . 6 ALA CA . 26970 1 55 . 1 1 6 6 ALA CB C 13 17.701 0.400 . 1 . . . . 6 ALA CB . 26970 1 56 . 1 1 6 6 ALA N N 15 125.402 0.400 . 1 . . . . 6 ALA N . 26970 1 57 . 1 1 7 7 VAL H H 1 7.579 0.020 . 1 . . . . 7 VAL H . 26970 1 58 . 1 1 7 7 VAL HA H 1 3.631 0.020 . 1 . . . . 7 VAL HA . 26970 1 59 . 1 1 7 7 VAL HB H 1 2.365 0.020 . 1 . . . . 7 VAL HB . 26970 1 60 . 1 1 7 7 VAL HG11 H 1 1.098 0.020 . 2 . . . . 7 VAL HG11 . 26970 1 61 . 1 1 7 7 VAL HG12 H 1 1.098 0.020 . 2 . . . . 7 VAL HG12 . 26970 1 62 . 1 1 7 7 VAL HG13 H 1 1.098 0.020 . 2 . . . . 7 VAL HG13 . 26970 1 63 . 1 1 7 7 VAL HG21 H 1 0.884 0.020 . 2 . . . . 7 VAL HG21 . 26970 1 64 . 1 1 7 7 VAL HG22 H 1 0.884 0.020 . 2 . . . . 7 VAL HG22 . 26970 1 65 . 1 1 7 7 VAL HG23 H 1 0.884 0.020 . 2 . . . . 7 VAL HG23 . 26970 1 66 . 1 1 7 7 VAL C C 13 176.762 0.400 . 1 . . . . 7 VAL C . 26970 1 67 . 1 1 7 7 VAL CA C 13 65.818 0.400 . 1 . . . . 7 VAL CA . 26970 1 68 . 1 1 7 7 VAL CB C 13 31.023 0.400 . 1 . . . . 7 VAL CB . 26970 1 69 . 1 1 7 7 VAL CG1 C 13 21.998 0.400 . 2 . . . . 7 VAL CG1 . 26970 1 70 . 1 1 7 7 VAL CG2 C 13 20.728 0.400 . 2 . . . . 7 VAL CG2 . 26970 1 71 . 1 1 7 7 VAL N N 15 117.470 0.400 . 1 . . . . 7 VAL N . 26970 1 72 . 1 1 8 8 THR H H 1 8.349 0.020 . 1 . . . . 8 THR H . 26970 1 73 . 1 1 8 8 THR HA H 1 3.741 0.020 . 1 . . . . 8 THR HA . 26970 1 74 . 1 1 8 8 THR HB H 1 4.230 0.020 . 1 . . . . 8 THR HB . 26970 1 75 . 1 1 8 8 THR HG21 H 1 1.181 0.020 . 1 . . . . 8 THR HG21 . 26970 1 76 . 1 1 8 8 THR HG22 H 1 1.181 0.020 . 1 . . . . 8 THR HG22 . 26970 1 77 . 1 1 8 8 THR HG23 H 1 1.181 0.020 . 1 . . . . 8 THR HG23 . 26970 1 78 . 1 1 8 8 THR C C 13 176.714 0.400 . 1 . . . . 8 THR C . 26970 1 79 . 1 1 8 8 THR CA C 13 65.642 0.400 . 1 . . . . 8 THR CA . 26970 1 80 . 1 1 8 8 THR CB C 13 67.544 0.400 . 1 . . . . 8 THR CB . 26970 1 81 . 1 1 8 8 THR CG2 C 13 21.142 0.400 . 1 . . . . 8 THR CG2 . 26970 1 82 . 1 1 8 8 THR N N 15 110.844 0.400 . 1 . . . . 8 THR N . 26970 1 83 . 1 1 9 9 SER H H 1 8.009 0.020 . 1 . . . . 9 SER H . 26970 1 84 . 1 1 9 9 SER HA H 1 4.277 0.020 . 1 . . . . 9 SER HA . 26970 1 85 . 1 1 9 9 SER HB2 H 1 4.003 0.020 . 2 . . . . 9 SER HB2 . 26970 1 86 . 1 1 9 9 SER HB3 H 1 4.024 0.020 . 2 . . . . 9 SER HB3 . 26970 1 87 . 1 1 9 9 SER C C 13 177.636 0.400 . 1 . . . . 9 SER C . 26970 1 88 . 1 1 9 9 SER CA C 13 61.407 0.400 . 1 . . . . 9 SER CA . 26970 1 89 . 1 1 9 9 SER CB C 13 62.177 0.400 . 1 . . . . 9 SER CB . 26970 1 90 . 1 1 9 9 SER N N 15 117.787 0.400 . 1 . . . . 9 SER N . 26970 1 91 . 1 1 10 10 ASP H H 1 8.411 0.020 . 1 . . . . 10 ASP H . 26970 1 92 . 1 1 10 10 ASP HA H 1 4.470 0.020 . 1 . . . . 10 ASP HA . 26970 1 93 . 1 1 10 10 ASP HB2 H 1 3.023 0.020 . 2 . . . . 10 ASP HB2 . 26970 1 94 . 1 1 10 10 ASP HB3 H 1 2.764 0.020 . 2 . . . . 10 ASP HB3 . 26970 1 95 . 1 1 10 10 ASP C C 13 175.829 0.400 . 1 . . . . 10 ASP C . 26970 1 96 . 1 1 10 10 ASP CA C 13 55.933 0.400 . 1 . . . . 10 ASP CA . 26970 1 97 . 1 1 10 10 ASP CB C 13 37.507 0.400 . 1 . . . . 10 ASP CB . 26970 1 98 . 1 1 10 10 ASP N N 15 120.941 0.400 . 1 . . . . 10 ASP N . 26970 1 99 . 1 1 11 11 LEU H H 1 7.381 0.020 . 1 . . . . 11 LEU H . 26970 1 100 . 1 1 11 11 LEU HA H 1 4.511 0.020 . 1 . . . . 11 LEU HA . 26970 1 101 . 1 1 11 11 LEU HB2 H 1 1.495 0.020 . 2 . . . . 11 LEU HB2 . 26970 1 102 . 1 1 11 11 LEU HB3 H 1 1.703 0.020 . 2 . . . . 11 LEU HB3 . 26970 1 103 . 1 1 11 11 LEU HG H 1 1.799 0.020 . 1 . . . . 11 LEU HG . 26970 1 104 . 1 1 11 11 LEU HD11 H 1 0.775 0.020 . 2 . . . . 11 LEU HD11 . 26970 1 105 . 1 1 11 11 LEU HD12 H 1 0.775 0.020 . 2 . . . . 11 LEU HD12 . 26970 1 106 . 1 1 11 11 LEU HD13 H 1 0.775 0.020 . 2 . . . . 11 LEU HD13 . 26970 1 107 . 1 1 11 11 LEU HD21 H 1 0.788 0.020 . 2 . . . . 11 LEU HD21 . 26970 1 108 . 1 1 11 11 LEU HD22 H 1 0.788 0.020 . 2 . . . . 11 LEU HD22 . 26970 1 109 . 1 1 11 11 LEU HD23 H 1 0.788 0.020 . 2 . . . . 11 LEU HD23 . 26970 1 110 . 1 1 11 11 LEU C C 13 177.193 0.400 . 1 . . . . 11 LEU C . 26970 1 111 . 1 1 11 11 LEU CA C 13 53.378 0.400 . 1 . . . . 11 LEU CA . 26970 1 112 . 1 1 11 11 LEU CB C 13 41.826 0.400 . 1 . . . . 11 LEU CB . 26970 1 113 . 1 1 11 11 LEU CG C 13 26.573 0.400 . 1 . . . . 11 LEU CG . 26970 1 114 . 1 1 11 11 LEU CD1 C 13 22.626 0.400 . 2 . . . . 11 LEU CD1 . 26970 1 115 . 1 1 11 11 LEU CD2 C 13 25.949 0.400 . 2 . . . . 11 LEU CD2 . 26970 1 116 . 1 1 11 11 LEU N N 15 112.935 0.400 . 1 . . . . 11 LEU N . 26970 1 117 . 1 1 12 12 SER H H 1 7.925 0.020 . 1 . . . . 12 SER H . 26970 1 118 . 1 1 12 12 SER HA H 1 4.302 0.020 . 1 . . . . 12 SER HA . 26970 1 119 . 1 1 12 12 SER HB2 H 1 4.227 0.020 . 2 . . . . 12 SER HB2 . 26970 1 120 . 1 1 12 12 SER HB3 H 1 4.227 0.020 . 2 . . . . 12 SER HB3 . 26970 1 121 . 1 1 12 12 SER CA C 13 63.386 0.400 . 1 . . . . 12 SER CA . 26970 1 122 . 1 1 12 12 SER CB C 13 61.444 0.400 . 1 . . . . 12 SER CB . 26970 1 123 . 1 1 12 12 SER N N 15 120.096 0.400 . 1 . . . . 12 SER N . 26970 1 124 . 1 1 13 13 PRO HA H 1 4.773 0.020 . 1 . . . . 13 PRO HA . 26970 1 125 . 1 1 13 13 PRO HB2 H 1 2.514 0.020 . 2 . . . . 13 PRO HB2 . 26970 1 126 . 1 1 13 13 PRO HB3 H 1 1.329 0.020 . 2 . . . . 13 PRO HB3 . 26970 1 127 . 1 1 13 13 PRO HG2 H 1 2.007 0.020 . 2 . . . . 13 PRO HG2 . 26970 1 128 . 1 1 13 13 PRO HG3 H 1 1.922 0.020 . 2 . . . . 13 PRO HG3 . 26970 1 129 . 1 1 13 13 PRO HD2 H 1 3.962 0.020 . 2 . . . . 13 PRO HD2 . 26970 1 130 . 1 1 13 13 PRO HD3 H 1 3.657 0.020 . 2 . . . . 13 PRO HD3 . 26970 1 131 . 1 1 13 13 PRO C C 13 176.882 0.400 . 1 . . . . 13 PRO C . 26970 1 132 . 1 1 13 13 PRO CA C 13 64.234 0.400 . 1 . . . . 13 PRO CA . 26970 1 133 . 1 1 13 13 PRO CB C 13 30.789 0.400 . 1 . . . . 13 PRO CB . 26970 1 134 . 1 1 13 13 PRO CG C 13 27.622 0.400 . 1 . . . . 13 PRO CG . 26970 1 135 . 1 1 13 13 PRO CD C 13 50.831 0.400 . 1 . . . . 13 PRO CD . 26970 1 136 . 1 1 14 14 CYS H H 1 8.718 0.020 . 1 . . . . 14 CYS H . 26970 1 137 . 1 1 14 14 CYS HA H 1 4.877 0.020 . 1 . . . . 14 CYS HA . 26970 1 138 . 1 1 14 14 CYS HB2 H 1 3.320 0.020 . 2 . . . . 14 CYS HB2 . 26970 1 139 . 1 1 14 14 CYS HB3 H 1 3.257 0.020 . 2 . . . . 14 CYS HB3 . 26970 1 140 . 1 1 14 14 CYS C C 13 174.943 0.400 . 1 . . . . 14 CYS C . 26970 1 141 . 1 1 14 14 CYS CA C 13 53.517 0.400 . 1 . . . . 14 CYS CA . 26970 1 142 . 1 1 14 14 CYS CB C 13 41.263 0.400 . 1 . . . . 14 CYS CB . 26970 1 143 . 1 1 14 14 CYS N N 15 113.635 0.400 . 1 . . . . 14 CYS N . 26970 1 144 . 1 1 15 15 LEU H H 1 8.096 0.020 . 1 . . . . 15 LEU H . 26970 1 145 . 1 1 15 15 LEU HA H 1 3.957 0.020 . 1 . . . . 15 LEU HA . 26970 1 146 . 1 1 15 15 LEU HB2 H 1 1.814 0.020 . 2 . . . . 15 LEU HB2 . 26970 1 147 . 1 1 15 15 LEU HB3 H 1 1.916 0.020 . 2 . . . . 15 LEU HB3 . 26970 1 148 . 1 1 15 15 LEU HG H 1 1.789 0.020 . 1 . . . . 15 LEU HG . 26970 1 149 . 1 1 15 15 LEU HD11 H 1 0.993 0.020 . 2 . . . . 15 LEU HD11 . 26970 1 150 . 1 1 15 15 LEU HD12 H 1 0.993 0.020 . 2 . . . . 15 LEU HD12 . 26970 1 151 . 1 1 15 15 LEU HD13 H 1 0.993 0.020 . 2 . . . . 15 LEU HD13 . 26970 1 152 . 1 1 15 15 LEU HD21 H 1 0.916 0.020 . 2 . . . . 15 LEU HD21 . 26970 1 153 . 1 1 15 15 LEU HD22 H 1 0.916 0.020 . 2 . . . . 15 LEU HD22 . 26970 1 154 . 1 1 15 15 LEU HD23 H 1 0.916 0.020 . 2 . . . . 15 LEU HD23 . 26970 1 155 . 1 1 15 15 LEU C C 13 177.456 0.400 . 1 . . . . 15 LEU C . 26970 1 156 . 1 1 15 15 LEU CA C 13 59.459 0.400 . 1 . . . . 15 LEU CA . 26970 1 157 . 1 1 15 15 LEU CB C 13 40.679 0.400 . 1 . . . . 15 LEU CB . 26970 1 158 . 1 1 15 15 LEU CG C 13 26.466 0.400 . 1 . . . . 15 LEU CG . 26970 1 159 . 1 1 15 15 LEU CD1 C 13 23.455 0.400 . 2 . . . . 15 LEU CD1 . 26970 1 160 . 1 1 15 15 LEU CD2 C 13 23.069 0.400 . 2 . . . . 15 LEU CD2 . 26970 1 161 . 1 1 15 15 LEU N N 15 123.090 0.400 . 1 . . . . 15 LEU N . 26970 1 162 . 1 1 16 16 THR H H 1 8.603 0.020 . 1 . . . . 16 THR H . 26970 1 163 . 1 1 16 16 THR HA H 1 3.896 0.020 . 1 . . . . 16 THR HA . 26970 1 164 . 1 1 16 16 THR HB H 1 4.270 0.020 . 1 . . . . 16 THR HB . 26970 1 165 . 1 1 16 16 THR HG1 H 1 4.741 0.020 . 1 . . . . 16 THR HG1 . 26970 1 166 . 1 1 16 16 THR HG21 H 1 1.382 0.020 . 1 . . . . 16 THR HG21 . 26970 1 167 . 1 1 16 16 THR HG22 H 1 1.382 0.020 . 1 . . . . 16 THR HG22 . 26970 1 168 . 1 1 16 16 THR HG23 H 1 1.382 0.020 . 1 . . . . 16 THR HG23 . 26970 1 169 . 1 1 16 16 THR C C 13 175.925 0.400 . 1 . . . . 16 THR C . 26970 1 170 . 1 1 16 16 THR CA C 13 65.709 0.400 . 1 . . . . 16 THR CA . 26970 1 171 . 1 1 16 16 THR CB C 13 67.758 0.400 . 1 . . . . 16 THR CB . 26970 1 172 . 1 1 16 16 THR CG2 C 13 21.333 0.400 . 1 . . . . 16 THR CG2 . 26970 1 173 . 1 1 16 16 THR N N 15 113.038 0.400 . 1 . . . . 16 THR N . 26970 1 174 . 1 1 17 17 TYR H H 1 7.402 0.020 . 1 . . . . 17 TYR H . 26970 1 175 . 1 1 17 17 TYR HA H 1 4.422 0.020 . 1 . . . . 17 TYR HA . 26970 1 176 . 1 1 17 17 TYR HB2 H 1 3.413 0.020 . 2 . . . . 17 TYR HB2 . 26970 1 177 . 1 1 17 17 TYR HB3 H 1 3.001 0.020 . 2 . . . . 17 TYR HB3 . 26970 1 178 . 1 1 17 17 TYR HD1 H 1 6.862 0.020 . 1 . . . . 17 TYR HD1 . 26970 1 179 . 1 1 17 17 TYR HD2 H 1 6.862 0.020 . 1 . . . . 17 TYR HD2 . 26970 1 180 . 1 1 17 17 TYR HE1 H 1 6.665 0.020 . 1 . . . . 17 TYR HE1 . 26970 1 181 . 1 1 17 17 TYR HE2 H 1 6.665 0.020 . 1 . . . . 17 TYR HE2 . 26970 1 182 . 1 1 17 17 TYR C C 13 178.354 0.400 . 1 . . . . 17 TYR C . 26970 1 183 . 1 1 17 17 TYR CA C 13 58.748 0.400 . 1 . . . . 17 TYR CA . 26970 1 184 . 1 1 17 17 TYR CB C 13 38.738 0.400 . 1 . . . . 17 TYR CB . 26970 1 185 . 1 1 17 17 TYR CD1 C 13 132.604 0.400 . 3 . . . . 17 TYR CD1 . 26970 1 186 . 1 1 17 17 TYR CE1 C 13 118.644 0.400 . 3 . . . . 17 TYR CE1 . 26970 1 187 . 1 1 17 17 TYR N N 15 122.926 0.400 . 1 . . . . 17 TYR N . 26970 1 188 . 1 1 18 18 LEU H H 1 8.809 0.020 . 1 . . . . 18 LEU H . 26970 1 189 . 1 1 18 18 LEU HA H 1 3.800 0.020 . 1 . . . . 18 LEU HA . 26970 1 190 . 1 1 18 18 LEU HB2 H 1 1.999 0.020 . 2 . . . . 18 LEU HB2 . 26970 1 191 . 1 1 18 18 LEU HB3 H 1 1.474 0.020 . 2 . . . . 18 LEU HB3 . 26970 1 192 . 1 1 18 18 LEU HG H 1 1.910 0.020 . 1 . . . . 18 LEU HG . 26970 1 193 . 1 1 18 18 LEU HD11 H 1 0.872 0.020 . 2 . . . . 18 LEU HD11 . 26970 1 194 . 1 1 18 18 LEU HD12 H 1 0.872 0.020 . 2 . . . . 18 LEU HD12 . 26970 1 195 . 1 1 18 18 LEU HD13 H 1 0.872 0.020 . 2 . . . . 18 LEU HD13 . 26970 1 196 . 1 1 18 18 LEU HD21 H 1 0.784 0.020 . 2 . . . . 18 LEU HD21 . 26970 1 197 . 1 1 18 18 LEU HD22 H 1 0.784 0.020 . 2 . . . . 18 LEU HD22 . 26970 1 198 . 1 1 18 18 LEU HD23 H 1 0.784 0.020 . 2 . . . . 18 LEU HD23 . 26970 1 199 . 1 1 18 18 LEU C C 13 175.494 0.400 . 1 . . . . 18 LEU C . 26970 1 200 . 1 1 18 18 LEU CA C 13 56.530 0.400 . 1 . . . . 18 LEU CA . 26970 1 201 . 1 1 18 18 LEU CB C 13 41.079 0.400 . 1 . . . . 18 LEU CB . 26970 1 202 . 1 1 18 18 LEU CG C 13 26.165 0.400 . 1 . . . . 18 LEU CG . 26970 1 203 . 1 1 18 18 LEU CD1 C 13 21.755 0.400 . 2 . . . . 18 LEU CD1 . 26970 1 204 . 1 1 18 18 LEU CD2 C 13 25.483 0.400 . 2 . . . . 18 LEU CD2 . 26970 1 205 . 1 1 18 18 LEU N N 15 119.910 0.400 . 1 . . . . 18 LEU N . 26970 1 206 . 1 1 19 19 THR H H 1 7.576 0.020 . 1 . . . . 19 THR H . 26970 1 207 . 1 1 19 19 THR HA H 1 4.829 0.020 . 1 . . . . 19 THR HA . 26970 1 208 . 1 1 19 19 THR HB H 1 4.587 0.020 . 1 . . . . 19 THR HB . 26970 1 209 . 1 1 19 19 THR HG21 H 1 1.101 0.020 . 1 . . . . 19 THR HG21 . 26970 1 210 . 1 1 19 19 THR HG22 H 1 1.101 0.020 . 1 . . . . 19 THR HG22 . 26970 1 211 . 1 1 19 19 THR HG23 H 1 1.101 0.020 . 1 . . . . 19 THR HG23 . 26970 1 212 . 1 1 19 19 THR C C 13 173.807 0.400 . 1 . . . . 19 THR C . 26970 1 213 . 1 1 19 19 THR CA C 13 60.200 0.400 . 1 . . . . 19 THR CA . 26970 1 214 . 1 1 19 19 THR CB C 13 68.285 0.400 . 1 . . . . 19 THR CB . 26970 1 215 . 1 1 19 19 THR CG2 C 13 20.709 0.400 . 1 . . . . 19 THR CG2 . 26970 1 216 . 1 1 19 19 THR N N 15 105.416 0.400 . 1 . . . . 19 THR N . 26970 1 217 . 1 1 20 20 GLY H H 1 7.603 0.020 . 1 . . . . 20 GLY H . 26970 1 218 . 1 1 20 20 GLY HA2 H 1 4.625 0.020 . 2 . . . . 20 GLY HA2 . 26970 1 219 . 1 1 20 20 GLY HA3 H 1 3.472 0.020 . 2 . . . . 20 GLY HA3 . 26970 1 220 . 1 1 20 20 GLY C C 13 173.663 0.400 . 1 . . . . 20 GLY C . 26970 1 221 . 1 1 20 20 GLY CA C 13 44.672 0.400 . 1 . . . . 20 GLY CA . 26970 1 222 . 1 1 20 20 GLY N N 15 106.690 0.400 . 1 . . . . 20 GLY N . 26970 1 223 . 1 1 21 21 GLY H H 1 8.401 0.020 . 1 . . . . 21 GLY H . 26970 1 224 . 1 1 21 21 GLY HA2 H 1 4.449 0.020 . 2 . . . . 21 GLY HA2 . 26970 1 225 . 1 1 21 21 GLY HA3 H 1 3.685 0.020 . 2 . . . . 21 GLY HA3 . 26970 1 226 . 1 1 21 21 GLY CA C 13 43.638 0.400 . 1 . . . . 21 GLY CA . 26970 1 227 . 1 1 21 21 GLY N N 15 110.658 0.400 . 1 . . . . 21 GLY N . 26970 1 228 . 1 1 22 22 PRO HA H 1 4.637 0.020 . 1 . . . . 22 PRO HA . 26970 1 229 . 1 1 22 22 PRO HB2 H 1 2.371 0.020 . 2 . . . . 22 PRO HB2 . 26970 1 230 . 1 1 22 22 PRO HB3 H 1 1.923 0.020 . 2 . . . . 22 PRO HB3 . 26970 1 231 . 1 1 22 22 PRO HG2 H 1 2.004 0.020 . 2 . . . . 22 PRO HG2 . 26970 1 232 . 1 1 22 22 PRO HG3 H 1 2.045 0.020 . 2 . . . . 22 PRO HG3 . 26970 1 233 . 1 1 22 22 PRO HD2 H 1 3.637 0.020 . 2 . . . . 22 PRO HD2 . 26970 1 234 . 1 1 22 22 PRO HD3 H 1 3.524 0.020 . 2 . . . . 22 PRO HD3 . 26970 1 235 . 1 1 22 22 PRO C C 13 175.613 0.400 . 1 . . . . 22 PRO C . 26970 1 236 . 1 1 22 22 PRO CA C 13 62.048 0.400 . 1 . . . . 22 PRO CA . 26970 1 237 . 1 1 22 22 PRO CB C 13 31.918 0.400 . 1 . . . . 22 PRO CB . 26970 1 238 . 1 1 22 22 PRO CG C 13 26.523 0.400 . 1 . . . . 22 PRO CG . 26970 1 239 . 1 1 22 22 PRO CD C 13 48.827 0.400 . 1 . . . . 22 PRO CD . 26970 1 240 . 1 1 23 23 GLY H H 1 8.300 0.020 . 1 . . . . 23 GLY H . 26970 1 241 . 1 1 23 23 GLY HA2 H 1 4.444 0.020 . 2 . . . . 23 GLY HA2 . 26970 1 242 . 1 1 23 23 GLY HA3 H 1 3.330 0.020 . 2 . . . . 23 GLY HA3 . 26970 1 243 . 1 1 23 23 GLY CA C 13 43.020 0.400 . 1 . . . . 23 GLY CA . 26970 1 244 . 1 1 23 23 GLY N N 15 106.389 0.400 . 1 . . . . 23 GLY N . 26970 1 245 . 1 1 24 24 PRO HA H 1 4.076 0.020 . 1 . . . . 24 PRO HA . 26970 1 246 . 1 1 24 24 PRO HB2 H 1 1.741 0.020 . 2 . . . . 24 PRO HB2 . 26970 1 247 . 1 1 24 24 PRO HB3 H 1 1.590 0.020 . 2 . . . . 24 PRO HB3 . 26970 1 248 . 1 1 24 24 PRO HG2 H 1 1.650 0.020 . 2 . . . . 24 PRO HG2 . 26970 1 249 . 1 1 24 24 PRO HG3 H 1 1.368 0.020 . 2 . . . . 24 PRO HG3 . 26970 1 250 . 1 1 24 24 PRO HD2 H 1 3.352 0.020 . 2 . . . . 24 PRO HD2 . 26970 1 251 . 1 1 24 24 PRO HD3 H 1 2.500 0.020 . 2 . . . . 24 PRO HD3 . 26970 1 252 . 1 1 24 24 PRO C C 13 174.860 0.400 . 1 . . . . 24 PRO C . 26970 1 253 . 1 1 24 24 PRO CA C 13 60.594 0.400 . 1 . . . . 24 PRO CA . 26970 1 254 . 1 1 24 24 PRO CB C 13 33.524 0.400 . 1 . . . . 24 PRO CB . 26970 1 255 . 1 1 24 24 PRO CG C 13 24.138 0.400 . 1 . . . . 24 PRO CG . 26970 1 256 . 1 1 24 24 PRO CD C 13 48.489 0.400 . 1 . . . . 24 PRO CD . 26970 1 257 . 1 1 25 25 SER H H 1 8.779 0.020 . 1 . . . . 25 SER H . 26970 1 258 . 1 1 25 25 SER HA H 1 4.740 0.020 . 1 . . . . 25 SER HA . 26970 1 259 . 1 1 25 25 SER HB2 H 1 4.516 0.020 . 2 . . . . 25 SER HB2 . 26970 1 260 . 1 1 25 25 SER HB3 H 1 4.127 0.020 . 2 . . . . 25 SER HB3 . 26970 1 261 . 1 1 25 25 SER HG H 1 5.973 0.020 . 1 . . . . 25 SER HG . 26970 1 262 . 1 1 25 25 SER CA C 13 55.523 0.400 . 1 . . . . 25 SER CA . 26970 1 263 . 1 1 25 25 SER CB C 13 62.365 0.400 . 1 . . . . 25 SER CB . 26970 1 264 . 1 1 25 25 SER N N 15 120.531 0.400 . 1 . . . . 25 SER N . 26970 1 265 . 1 1 26 26 PRO HA H 1 4.328 0.020 . 1 . . . . 26 PRO HA . 26970 1 266 . 1 1 26 26 PRO HB2 H 1 1.903 0.020 . 2 . . . . 26 PRO HB2 . 26970 1 267 . 1 1 26 26 PRO HB3 H 1 2.410 0.020 . 2 . . . . 26 PRO HB3 . 26970 1 268 . 1 1 26 26 PRO HG2 H 1 2.206 0.020 . 2 . . . . 26 PRO HG2 . 26970 1 269 . 1 1 26 26 PRO HG3 H 1 2.053 0.020 . 2 . . . . 26 PRO HG3 . 26970 1 270 . 1 1 26 26 PRO HD2 H 1 3.925 0.020 . 2 . . . . 26 PRO HD2 . 26970 1 271 . 1 1 26 26 PRO HD3 H 1 3.925 0.020 . 2 . . . . 26 PRO HD3 . 26970 1 272 . 1 1 26 26 PRO C C 13 179.550 0.400 . 1 . . . . 26 PRO C . 26970 1 273 . 1 1 26 26 PRO CA C 13 64.828 0.400 . 1 . . . . 26 PRO CA . 26970 1 274 . 1 1 26 26 PRO CB C 13 30.878 0.400 . 1 . . . . 26 PRO CB . 26970 1 275 . 1 1 26 26 PRO CG C 13 27.395 0.400 . 1 . . . . 26 PRO CG . 26970 1 276 . 1 1 26 26 PRO CD C 13 49.817 0.400 . 1 . . . . 26 PRO CD . 26970 1 277 . 1 1 27 27 GLN H H 1 8.628 0.020 . 1 . . . . 27 GLN H . 26970 1 278 . 1 1 27 27 GLN HA H 1 4.152 0.020 . 1 . . . . 27 GLN HA . 26970 1 279 . 1 1 27 27 GLN HB2 H 1 2.149 0.020 . 2 . . . . 27 GLN HB2 . 26970 1 280 . 1 1 27 27 GLN HB3 H 1 1.989 0.020 . 2 . . . . 27 GLN HB3 . 26970 1 281 . 1 1 27 27 GLN HG2 H 1 2.663 0.020 . 2 . . . . 27 GLN HG2 . 26970 1 282 . 1 1 27 27 GLN HG3 H 1 2.510 0.020 . 2 . . . . 27 GLN HG3 . 26970 1 283 . 1 1 27 27 GLN HE21 H 1 7.622 0.020 . 2 . . . . 27 GLN HE21 . 26970 1 284 . 1 1 27 27 GLN HE22 H 1 6.937 0.020 . 2 . . . . 27 GLN HE22 . 26970 1 285 . 1 1 27 27 GLN C C 13 178.677 0.400 . 1 . . . . 27 GLN C . 26970 1 286 . 1 1 27 27 GLN CA C 13 59.113 0.400 . 1 . . . . 27 GLN CA . 26970 1 287 . 1 1 27 27 GLN CB C 13 26.798 0.400 . 1 . . . . 27 GLN CB . 26970 1 288 . 1 1 27 27 GLN CG C 13 33.929 0.400 . 1 . . . . 27 GLN CG . 26970 1 289 . 1 1 27 27 GLN N N 15 117.618 0.400 . 1 . . . . 27 GLN N . 26970 1 290 . 1 1 27 27 GLN NE2 N 15 111.925 0.400 . 1 . . . . 27 GLN NE2 . 26970 1 291 . 1 1 28 28 CYS H H 1 8.138 0.020 . 1 . . . . 28 CYS H . 26970 1 292 . 1 1 28 28 CYS HA H 1 4.381 0.020 . 1 . . . . 28 CYS HA . 26970 1 293 . 1 1 28 28 CYS HB2 H 1 3.353 0.020 . 2 . . . . 28 CYS HB2 . 26970 1 294 . 1 1 28 28 CYS HB3 H 1 2.975 0.020 . 2 . . . . 28 CYS HB3 . 26970 1 295 . 1 1 28 28 CYS C C 13 175.123 0.400 . 1 . . . . 28 CYS C . 26970 1 296 . 1 1 28 28 CYS CA C 13 58.404 0.400 . 1 . . . . 28 CYS CA . 26970 1 297 . 1 1 28 28 CYS CB C 13 36.663 0.400 . 1 . . . . 28 CYS CB . 26970 1 298 . 1 1 28 28 CYS N N 15 119.996 0.400 . 1 . . . . 28 CYS N . 26970 1 299 . 1 1 29 29 CYS H H 1 8.239 0.020 . 1 . . . . 29 CYS H . 26970 1 300 . 1 1 29 29 CYS HA H 1 4.658 0.020 . 1 . . . . 29 CYS HA . 26970 1 301 . 1 1 29 29 CYS HB2 H 1 2.778 0.020 . 2 . . . . 29 CYS HB2 . 26970 1 302 . 1 1 29 29 CYS HB3 H 1 3.106 0.020 . 2 . . . . 29 CYS HB3 . 26970 1 303 . 1 1 29 29 CYS C C 13 177.061 0.400 . 1 . . . . 29 CYS C . 26970 1 304 . 1 1 29 29 CYS CA C 13 54.404 0.400 . 1 . . . . 29 CYS CA . 26970 1 305 . 1 1 29 29 CYS CB C 13 32.484 0.400 . 1 . . . . 29 CYS CB . 26970 1 306 . 1 1 29 29 CYS N N 15 116.543 0.400 . 1 . . . . 29 CYS N . 26970 1 307 . 1 1 30 30 GLY H H 1 8.811 0.020 . 1 . . . . 30 GLY H . 26970 1 308 . 1 1 30 30 GLY HA2 H 1 3.982 0.020 . 2 . . . . 30 GLY HA2 . 26970 1 309 . 1 1 30 30 GLY HA3 H 1 3.866 0.020 . 2 . . . . 30 GLY HA3 . 26970 1 310 . 1 1 30 30 GLY C C 13 175.865 0.400 . 1 . . . . 30 GLY C . 26970 1 311 . 1 1 30 30 GLY CA C 13 46.487 0.400 . 1 . . . . 30 GLY CA . 26970 1 312 . 1 1 30 30 GLY N N 15 108.493 0.400 . 1 . . . . 30 GLY N . 26970 1 313 . 1 1 31 31 GLY H H 1 8.029 0.020 . 1 . . . . 31 GLY H . 26970 1 314 . 1 1 31 31 GLY HA2 H 1 4.264 0.020 . 2 . . . . 31 GLY HA2 . 26970 1 315 . 1 1 31 31 GLY HA3 H 1 3.837 0.020 . 2 . . . . 31 GLY HA3 . 26970 1 316 . 1 1 31 31 GLY C C 13 174.884 0.400 . 1 . . . . 31 GLY C . 26970 1 317 . 1 1 31 31 GLY CA C 13 46.944 0.400 . 1 . . . . 31 GLY CA . 26970 1 318 . 1 1 31 31 GLY N N 15 112.954 0.400 . 1 . . . . 31 GLY N . 26970 1 319 . 1 1 32 32 VAL H H 1 8.168 0.020 . 1 . . . . 32 VAL H . 26970 1 320 . 1 1 32 32 VAL HA H 1 3.478 0.020 . 1 . . . . 32 VAL HA . 26970 1 321 . 1 1 32 32 VAL HB H 1 2.402 0.020 . 1 . . . . 32 VAL HB . 26970 1 322 . 1 1 32 32 VAL HG11 H 1 1.096 0.020 . 2 . . . . 32 VAL HG11 . 26970 1 323 . 1 1 32 32 VAL HG12 H 1 1.096 0.020 . 2 . . . . 32 VAL HG12 . 26970 1 324 . 1 1 32 32 VAL HG13 H 1 1.096 0.020 . 2 . . . . 32 VAL HG13 . 26970 1 325 . 1 1 32 32 VAL HG21 H 1 0.842 0.020 . 2 . . . . 32 VAL HG21 . 26970 1 326 . 1 1 32 32 VAL HG22 H 1 0.842 0.020 . 2 . . . . 32 VAL HG22 . 26970 1 327 . 1 1 32 32 VAL HG23 H 1 0.842 0.020 . 2 . . . . 32 VAL HG23 . 26970 1 328 . 1 1 32 32 VAL C C 13 176.810 0.400 . 1 . . . . 32 VAL C . 26970 1 329 . 1 1 32 32 VAL CA C 13 66.284 0.400 . 1 . . . . 32 VAL CA . 26970 1 330 . 1 1 32 32 VAL CB C 13 31.014 0.400 . 1 . . . . 32 VAL CB . 26970 1 331 . 1 1 32 32 VAL CG1 C 13 22.870 0.400 . 2 . . . . 32 VAL CG1 . 26970 1 332 . 1 1 32 32 VAL CG2 C 13 20.830 0.400 . 2 . . . . 32 VAL CG2 . 26970 1 333 . 1 1 32 32 VAL N N 15 121.806 0.400 . 1 . . . . 32 VAL N . 26970 1 334 . 1 1 33 33 LYS H H 1 8.053 0.020 . 1 . . . . 33 LYS H . 26970 1 335 . 1 1 33 33 LYS HA H 1 3.879 0.020 . 1 . . . . 33 LYS HA . 26970 1 336 . 1 1 33 33 LYS HB2 H 1 1.906 0.020 . 2 . . . . 33 LYS HB2 . 26970 1 337 . 1 1 33 33 LYS HB3 H 1 1.906 0.020 . 2 . . . . 33 LYS HB3 . 26970 1 338 . 1 1 33 33 LYS HG2 H 1 1.631 0.020 . 2 . . . . 33 LYS HG2 . 26970 1 339 . 1 1 33 33 LYS HG3 H 1 1.377 0.020 . 2 . . . . 33 LYS HG3 . 26970 1 340 . 1 1 33 33 LYS HD2 H 1 1.661 0.020 . 2 . . . . 33 LYS HD2 . 26970 1 341 . 1 1 33 33 LYS HD3 H 1 1.661 0.020 . 2 . . . . 33 LYS HD3 . 26970 1 342 . 1 1 33 33 LYS HE2 H 1 2.882 0.020 . 2 . . . . 33 LYS HE2 . 26970 1 343 . 1 1 33 33 LYS HE3 H 1 2.882 0.020 . 2 . . . . 33 LYS HE3 . 26970 1 344 . 1 1 33 33 LYS C C 13 178.784 0.400 . 1 . . . . 33 LYS C . 26970 1 345 . 1 1 33 33 LYS CA C 13 59.808 0.400 . 1 . . . . 33 LYS CA . 26970 1 346 . 1 1 33 33 LYS CB C 13 31.617 0.400 . 1 . . . . 33 LYS CB . 26970 1 347 . 1 1 33 33 LYS CG C 13 26.081 0.400 . 1 . . . . 33 LYS CG . 26970 1 348 . 1 1 33 33 LYS CD C 13 28.747 0.400 . 1 . . . . 33 LYS CD . 26970 1 349 . 1 1 33 33 LYS CE C 13 41.602 0.400 . 1 . . . . 33 LYS CE . 26970 1 350 . 1 1 33 33 LYS N N 15 117.408 0.400 . 1 . . . . 33 LYS N . 26970 1 351 . 1 1 34 34 LYS H H 1 8.137 0.020 . 1 . . . . 34 LYS H . 26970 1 352 . 1 1 34 34 LYS HA H 1 4.027 0.020 . 1 . . . . 34 LYS HA . 26970 1 353 . 1 1 34 34 LYS HB2 H 1 1.911 0.020 . 2 . . . . 34 LYS HB2 . 26970 1 354 . 1 1 34 34 LYS HB3 H 1 1.911 0.020 . 2 . . . . 34 LYS HB3 . 26970 1 355 . 1 1 34 34 LYS HG2 H 1 1.470 0.020 . 2 . . . . 34 LYS HG2 . 26970 1 356 . 1 1 34 34 LYS HG3 H 1 1.470 0.020 . 2 . . . . 34 LYS HG3 . 26970 1 357 . 1 1 34 34 LYS HD2 H 1 1.663 0.020 . 2 . . . . 34 LYS HD2 . 26970 1 358 . 1 1 34 34 LYS HD3 H 1 1.663 0.020 . 2 . . . . 34 LYS HD3 . 26970 1 359 . 1 1 34 34 LYS HE2 H 1 2.986 0.020 . 2 . . . . 34 LYS HE2 . 26970 1 360 . 1 1 34 34 LYS HE3 H 1 2.986 0.020 . 2 . . . . 34 LYS HE3 . 26970 1 361 . 1 1 34 34 LYS C C 13 178.330 0.400 . 1 . . . . 34 LYS C . 26970 1 362 . 1 1 34 34 LYS CA C 13 58.984 0.400 . 1 . . . . 34 LYS CA . 26970 1 363 . 1 1 34 34 LYS CB C 13 32.227 0.400 . 1 . . . . 34 LYS CB . 26970 1 364 . 1 1 34 34 LYS CG C 13 24.474 0.400 . 1 . . . . 34 LYS CG . 26970 1 365 . 1 1 34 34 LYS CD C 13 29.099 0.400 . 1 . . . . 34 LYS CD . 26970 1 366 . 1 1 34 34 LYS CE C 13 41.442 0.400 . 1 . . . . 34 LYS CE . 26970 1 367 . 1 1 34 34 LYS N N 15 121.466 0.400 . 1 . . . . 34 LYS N . 26970 1 368 . 1 1 35 35 LEU H H 1 8.013 0.020 . 1 . . . . 35 LEU H . 26970 1 369 . 1 1 35 35 LEU HA H 1 4.119 0.020 . 1 . . . . 35 LEU HA . 26970 1 370 . 1 1 35 35 LEU HB2 H 1 2.033 0.020 . 2 . . . . 35 LEU HB2 . 26970 1 371 . 1 1 35 35 LEU HB3 H 1 1.744 0.020 . 2 . . . . 35 LEU HB3 . 26970 1 372 . 1 1 35 35 LEU HG H 1 1.634 0.020 . 1 . . . . 35 LEU HG . 26970 1 373 . 1 1 35 35 LEU HD11 H 1 0.987 0.020 . 2 . . . . 35 LEU HD11 . 26970 1 374 . 1 1 35 35 LEU HD12 H 1 0.987 0.020 . 2 . . . . 35 LEU HD12 . 26970 1 375 . 1 1 35 35 LEU HD13 H 1 0.987 0.020 . 2 . . . . 35 LEU HD13 . 26970 1 376 . 1 1 35 35 LEU HD21 H 1 1.029 0.020 . 2 . . . . 35 LEU HD21 . 26970 1 377 . 1 1 35 35 LEU HD22 H 1 1.029 0.020 . 2 . . . . 35 LEU HD22 . 26970 1 378 . 1 1 35 35 LEU HD23 H 1 1.029 0.020 . 2 . . . . 35 LEU HD23 . 26970 1 379 . 1 1 35 35 LEU C C 13 177.241 0.400 . 1 . . . . 35 LEU C . 26970 1 380 . 1 1 35 35 LEU CA C 13 57.347 0.400 . 1 . . . . 35 LEU CA . 26970 1 381 . 1 1 35 35 LEU CB C 13 40.407 0.400 . 1 . . . . 35 LEU CB . 26970 1 382 . 1 1 35 35 LEU CG C 13 26.971 0.400 . 1 . . . . 35 LEU CG . 26970 1 383 . 1 1 35 35 LEU CD1 C 13 26.256 0.400 . 2 . . . . 35 LEU CD1 . 26970 1 384 . 1 1 35 35 LEU CD2 C 13 23.732 0.400 . 2 . . . . 35 LEU CD2 . 26970 1 385 . 1 1 35 35 LEU N N 15 122.175 0.400 . 1 . . . . 35 LEU N . 26970 1 386 . 1 1 36 36 LEU H H 1 8.112 0.020 . 1 . . . . 36 LEU H . 26970 1 387 . 1 1 36 36 LEU HA H 1 3.947 0.020 . 1 . . . . 36 LEU HA . 26970 1 388 . 1 1 36 36 LEU HB2 H 1 1.723 0.020 . 2 . . . . 36 LEU HB2 . 26970 1 389 . 1 1 36 36 LEU HB3 H 1 1.723 0.020 . 2 . . . . 36 LEU HB3 . 26970 1 390 . 1 1 36 36 LEU HG H 1 1.800 0.020 . 1 . . . . 36 LEU HG . 26970 1 391 . 1 1 36 36 LEU HD11 H 1 0.928 0.020 . 2 . . . . 36 LEU HD11 . 26970 1 392 . 1 1 36 36 LEU HD12 H 1 0.928 0.020 . 2 . . . . 36 LEU HD12 . 26970 1 393 . 1 1 36 36 LEU HD13 H 1 0.928 0.020 . 2 . . . . 36 LEU HD13 . 26970 1 394 . 1 1 36 36 LEU HD21 H 1 0.921 0.020 . 2 . . . . 36 LEU HD21 . 26970 1 395 . 1 1 36 36 LEU HD22 H 1 0.921 0.020 . 2 . . . . 36 LEU HD22 . 26970 1 396 . 1 1 36 36 LEU HD23 H 1 0.921 0.020 . 2 . . . . 36 LEU HD23 . 26970 1 397 . 1 1 36 36 LEU C C 13 178.222 0.400 . 1 . . . . 36 LEU C . 26970 1 398 . 1 1 36 36 LEU CA C 13 57.221 0.400 . 1 . . . . 36 LEU CA . 26970 1 399 . 1 1 36 36 LEU CB C 13 41.130 0.400 . 1 . . . . 36 LEU CB . 26970 1 400 . 1 1 36 36 LEU CG C 13 26.635 0.400 . 1 . . . . 36 LEU CG . 26970 1 401 . 1 1 36 36 LEU CD1 C 13 23.436 0.400 . 2 . . . . 36 LEU CD1 . 26970 1 402 . 1 1 36 36 LEU CD2 C 13 24.749 0.400 . 2 . . . . 36 LEU CD2 . 26970 1 403 . 1 1 36 36 LEU N N 15 117.720 0.400 . 1 . . . . 36 LEU N . 26970 1 404 . 1 1 37 37 ALA H H 1 7.625 0.020 . 1 . . . . 37 ALA H . 26970 1 405 . 1 1 37 37 ALA HA H 1 4.158 0.020 . 1 . . . . 37 ALA HA . 26970 1 406 . 1 1 37 37 ALA HB1 H 1 1.478 0.020 . 1 . . . . 37 ALA HB1 . 26970 1 407 . 1 1 37 37 ALA HB2 H 1 1.478 0.020 . 1 . . . . 37 ALA HB2 . 26970 1 408 . 1 1 37 37 ALA HB3 H 1 1.478 0.020 . 1 . . . . 37 ALA HB3 . 26970 1 409 . 1 1 37 37 ALA C C 13 178.162 0.400 . 1 . . . . 37 ALA C . 26970 1 410 . 1 1 37 37 ALA CA C 13 53.199 0.400 . 1 . . . . 37 ALA CA . 26970 1 411 . 1 1 37 37 ALA CB C 13 17.703 0.400 . 1 . . . . 37 ALA CB . 26970 1 412 . 1 1 37 37 ALA N N 15 118.132 0.400 . 1 . . . . 37 ALA N . 26970 1 413 . 1 1 38 38 ALA H H 1 7.645 0.020 . 1 . . . . 38 ALA H . 26970 1 414 . 1 1 38 38 ALA HA H 1 4.285 0.020 . 1 . . . . 38 ALA HA . 26970 1 415 . 1 1 38 38 ALA HB1 H 1 1.492 0.020 . 1 . . . . 38 ALA HB1 . 26970 1 416 . 1 1 38 38 ALA HB2 H 1 1.492 0.020 . 1 . . . . 38 ALA HB2 . 26970 1 417 . 1 1 38 38 ALA HB3 H 1 1.492 0.020 . 1 . . . . 38 ALA HB3 . 26970 1 418 . 1 1 38 38 ALA C C 13 177.384 0.400 . 1 . . . . 38 ALA C . 26970 1 419 . 1 1 38 38 ALA CA C 13 52.431 0.400 . 1 . . . . 38 ALA CA . 26970 1 420 . 1 1 38 38 ALA CB C 13 18.605 0.400 . 1 . . . . 38 ALA CB . 26970 1 421 . 1 1 38 38 ALA N N 15 119.024 0.400 . 1 . . . . 38 ALA N . 26970 1 422 . 1 1 39 39 ALA H H 1 7.853 0.020 . 1 . . . . 39 ALA H . 26970 1 423 . 1 1 39 39 ALA HA H 1 4.537 0.020 . 1 . . . . 39 ALA HA . 26970 1 424 . 1 1 39 39 ALA HB1 H 1 1.141 0.020 . 1 . . . . 39 ALA HB1 . 26970 1 425 . 1 1 39 39 ALA HB2 H 1 1.141 0.020 . 1 . . . . 39 ALA HB2 . 26970 1 426 . 1 1 39 39 ALA HB3 H 1 1.141 0.020 . 1 . . . . 39 ALA HB3 . 26970 1 427 . 1 1 39 39 ALA C C 13 174.070 0.400 . 1 . . . . 39 ALA C . 26970 1 428 . 1 1 39 39 ALA CA C 13 49.203 0.400 . 1 . . . . 39 ALA CA . 26970 1 429 . 1 1 39 39 ALA CB C 13 15.620 0.400 . 1 . . . . 39 ALA CB . 26970 1 430 . 1 1 39 39 ALA N N 15 121.945 0.400 . 1 . . . . 39 ALA N . 26970 1 431 . 1 1 40 40 ASN H H 1 8.228 0.020 . 1 . . . . 40 ASN H . 26970 1 432 . 1 1 40 40 ASN HA H 1 4.879 0.020 . 1 . . . . 40 ASN HA . 26970 1 433 . 1 1 40 40 ASN HB2 H 1 2.850 0.020 . 2 . . . . 40 ASN HB2 . 26970 1 434 . 1 1 40 40 ASN HB3 H 1 2.802 0.020 . 2 . . . . 40 ASN HB3 . 26970 1 435 . 1 1 40 40 ASN HD21 H 1 7.399 0.020 . 2 . . . . 40 ASN HD21 . 26970 1 436 . 1 1 40 40 ASN HD22 H 1 6.719 0.020 . 2 . . . . 40 ASN HD22 . 26970 1 437 . 1 1 40 40 ASN C C 13 173.148 0.400 . 1 . . . . 40 ASN C . 26970 1 438 . 1 1 40 40 ASN CA C 13 52.891 0.400 . 1 . . . . 40 ASN CA . 26970 1 439 . 1 1 40 40 ASN CB C 13 39.280 0.400 . 1 . . . . 40 ASN CB . 26970 1 440 . 1 1 40 40 ASN N N 15 118.544 0.400 . 1 . . . . 40 ASN N . 26970 1 441 . 1 1 40 40 ASN ND2 N 15 111.023 0.400 . 1 . . . . 40 ASN ND2 . 26970 1 442 . 1 1 41 41 THR H H 1 7.533 0.020 . 1 . . . . 41 THR H . 26970 1 443 . 1 1 41 41 THR HA H 1 4.698 0.020 . 1 . . . . 41 THR HA . 26970 1 444 . 1 1 41 41 THR HB H 1 4.464 0.020 . 1 . . . . 41 THR HB . 26970 1 445 . 1 1 41 41 THR HG21 H 1 1.297 0.020 . 1 . . . . 41 THR HG21 . 26970 1 446 . 1 1 41 41 THR HG22 H 1 1.297 0.020 . 1 . . . . 41 THR HG22 . 26970 1 447 . 1 1 41 41 THR HG23 H 1 1.297 0.020 . 1 . . . . 41 THR HG23 . 26970 1 448 . 1 1 41 41 THR C C 13 174.345 0.400 . 1 . . . . 41 THR C . 26970 1 449 . 1 1 41 41 THR CA C 13 58.947 0.400 . 1 . . . . 41 THR CA . 26970 1 450 . 1 1 41 41 THR CB C 13 71.734 0.400 . 1 . . . . 41 THR CB . 26970 1 451 . 1 1 41 41 THR CG2 C 13 20.852 0.400 . 1 . . . . 41 THR CG2 . 26970 1 452 . 1 1 41 41 THR N N 15 107.255 0.400 . 1 . . . . 41 THR N . 26970 1 453 . 1 1 42 42 THR H H 1 9.450 0.020 . 1 . . . . 42 THR H . 26970 1 454 . 1 1 42 42 THR HA H 1 4.075 0.020 . 1 . . . . 42 THR HA . 26970 1 455 . 1 1 42 42 THR HB H 1 4.436 0.020 . 1 . . . . 42 THR HB . 26970 1 456 . 1 1 42 42 THR HG21 H 1 1.320 0.020 . 1 . . . . 42 THR HG21 . 26970 1 457 . 1 1 42 42 THR HG22 H 1 1.320 0.020 . 1 . . . . 42 THR HG22 . 26970 1 458 . 1 1 42 42 THR HG23 H 1 1.320 0.020 . 1 . . . . 42 THR HG23 . 26970 1 459 . 1 1 42 42 THR CA C 13 68.639 0.400 . 1 . . . . 42 THR CA . 26970 1 460 . 1 1 42 42 THR CB C 13 65.986 0.400 . 1 . . . . 42 THR CB . 26970 1 461 . 1 1 42 42 THR CG2 C 13 22.123 0.400 . 1 . . . . 42 THR CG2 . 26970 1 462 . 1 1 42 42 THR N N 15 119.705 0.400 . 1 . . . . 42 THR N . 26970 1 463 . 1 1 43 43 PRO HA H 1 4.393 0.020 . 1 . . . . 43 PRO HA . 26970 1 464 . 1 1 43 43 PRO HB2 H 1 2.361 0.020 . 2 . . . . 43 PRO HB2 . 26970 1 465 . 1 1 43 43 PRO HB3 H 1 1.821 0.020 . 2 . . . . 43 PRO HB3 . 26970 1 466 . 1 1 43 43 PRO HG2 H 1 2.140 0.020 . 2 . . . . 43 PRO HG2 . 26970 1 467 . 1 1 43 43 PRO HG3 H 1 1.990 0.020 . 2 . . . . 43 PRO HG3 . 26970 1 468 . 1 1 43 43 PRO HD2 H 1 3.888 0.020 . 2 . . . . 43 PRO HD2 . 26970 1 469 . 1 1 43 43 PRO HD3 H 1 3.752 0.020 . 2 . . . . 43 PRO HD3 . 26970 1 470 . 1 1 43 43 PRO C C 13 179.335 0.400 . 1 . . . . 43 PRO C . 26970 1 471 . 1 1 43 43 PRO CA C 13 65.243 0.400 . 1 . . . . 43 PRO CA . 26970 1 472 . 1 1 43 43 PRO CB C 13 30.326 0.400 . 1 . . . . 43 PRO CB . 26970 1 473 . 1 1 43 43 PRO CG C 13 27.636 0.400 . 1 . . . . 43 PRO CG . 26970 1 474 . 1 1 43 43 PRO CD C 13 49.191 0.400 . 1 . . . . 43 PRO CD . 26970 1 475 . 1 1 44 44 ASP H H 1 7.395 0.020 . 1 . . . . 44 ASP H . 26970 1 476 . 1 1 44 44 ASP HA H 1 4.633 0.020 . 1 . . . . 44 ASP HA . 26970 1 477 . 1 1 44 44 ASP HB2 H 1 2.708 0.020 . 2 . . . . 44 ASP HB2 . 26970 1 478 . 1 1 44 44 ASP HB3 H 1 2.604 0.020 . 2 . . . . 44 ASP HB3 . 26970 1 479 . 1 1 44 44 ASP C C 13 177.516 0.400 . 1 . . . . 44 ASP C . 26970 1 480 . 1 1 44 44 ASP CA C 13 56.893 0.400 . 1 . . . . 44 ASP CA . 26970 1 481 . 1 1 44 44 ASP CB C 13 40.354 0.400 . 1 . . . . 44 ASP CB . 26970 1 482 . 1 1 44 44 ASP N N 15 116.843 0.400 . 1 . . . . 44 ASP N . 26970 1 483 . 1 1 45 45 ARG H H 1 8.370 0.020 . 1 . . . . 45 ARG H . 26970 1 484 . 1 1 45 45 ARG HA H 1 3.780 0.020 . 1 . . . . 45 ARG HA . 26970 1 485 . 1 1 45 45 ARG HB2 H 1 1.916 0.020 . 2 . . . . 45 ARG HB2 . 26970 1 486 . 1 1 45 45 ARG HB3 H 1 1.450 0.020 . 2 . . . . 45 ARG HB3 . 26970 1 487 . 1 1 45 45 ARG HG2 H 1 1.830 0.020 . 2 . . . . 45 ARG HG2 . 26970 1 488 . 1 1 45 45 ARG HG3 H 1 1.508 0.020 . 2 . . . . 45 ARG HG3 . 26970 1 489 . 1 1 45 45 ARG HD2 H 1 2.985 0.020 . 2 . . . . 45 ARG HD2 . 26970 1 490 . 1 1 45 45 ARG HD3 H 1 2.906 0.020 . 2 . . . . 45 ARG HD3 . 26970 1 491 . 1 1 45 45 ARG HE H 1 7.055 0.020 . 1 . . . . 45 ARG HE . 26970 1 492 . 1 1 45 45 ARG HH21 H 1 6.758 0.020 . 2 . . . . 45 ARG HH21 . 26970 1 493 . 1 1 45 45 ARG HH22 H 1 6.758 0.020 . 2 . . . . 45 ARG HH22 . 26970 1 494 . 1 1 45 45 ARG C C 13 177.420 0.400 . 1 . . . . 45 ARG C . 26970 1 495 . 1 1 45 45 ARG CA C 13 59.763 0.400 . 1 . . . . 45 ARG CA . 26970 1 496 . 1 1 45 45 ARG CB C 13 29.010 0.400 . 1 . . . . 45 ARG CB . 26970 1 497 . 1 1 45 45 ARG CG C 13 28.645 0.400 . 1 . . . . 45 ARG CG . 26970 1 498 . 1 1 45 45 ARG CD C 13 43.270 0.400 . 1 . . . . 45 ARG CD . 26970 1 499 . 1 1 45 45 ARG N N 15 121.426 0.400 . 1 . . . . 45 ARG N . 26970 1 500 . 1 1 45 45 ARG NE N 15 85.818 0.400 . 1 . . . . 45 ARG NE . 26970 1 501 . 1 1 45 45 ARG NH2 N 15 72.213 0.400 . 1 . . . . 45 ARG NH2 . 26970 1 502 . 1 1 46 46 GLN H H 1 8.292 0.020 . 1 . . . . 46 GLN H . 26970 1 503 . 1 1 46 46 GLN HA H 1 3.844 0.020 . 1 . . . . 46 GLN HA . 26970 1 504 . 1 1 46 46 GLN HB2 H 1 2.148 0.020 . 2 . . . . 46 GLN HB2 . 26970 1 505 . 1 1 46 46 GLN HB3 H 1 2.016 0.020 . 2 . . . . 46 GLN HB3 . 26970 1 506 . 1 1 46 46 GLN HG2 H 1 2.531 0.020 . 2 . . . . 46 GLN HG2 . 26970 1 507 . 1 1 46 46 GLN HG3 H 1 2.531 0.020 . 2 . . . . 46 GLN HG3 . 26970 1 508 . 1 1 46 46 GLN HE21 H 1 7.417 0.020 . 2 . . . . 46 GLN HE21 . 26970 1 509 . 1 1 46 46 GLN HE22 H 1 6.576 0.020 . 2 . . . . 46 GLN HE22 . 26970 1 510 . 1 1 46 46 GLN C C 13 177.779 0.400 . 1 . . . . 46 GLN C . 26970 1 511 . 1 1 46 46 GLN CA C 13 59.121 0.400 . 1 . . . . 46 GLN CA . 26970 1 512 . 1 1 46 46 GLN CB C 13 27.236 0.400 . 1 . . . . 46 GLN CB . 26970 1 513 . 1 1 46 46 GLN CG C 13 33.506 0.400 . 1 . . . . 46 GLN CG . 26970 1 514 . 1 1 46 46 GLN N N 15 119.047 0.400 . 1 . . . . 46 GLN N . 26970 1 515 . 1 1 46 46 GLN NE2 N 15 109.999 0.400 . 1 . . . . 46 GLN NE2 . 26970 1 516 . 1 1 47 47 ALA H H 1 8.130 0.020 . 1 . . . . 47 ALA H . 26970 1 517 . 1 1 47 47 ALA HA H 1 4.279 0.020 . 1 . . . . 47 ALA HA . 26970 1 518 . 1 1 47 47 ALA HB1 H 1 1.572 0.020 . 1 . . . . 47 ALA HB1 . 26970 1 519 . 1 1 47 47 ALA HB2 H 1 1.572 0.020 . 1 . . . . 47 ALA HB2 . 26970 1 520 . 1 1 47 47 ALA HB3 H 1 1.572 0.020 . 1 . . . . 47 ALA HB3 . 26970 1 521 . 1 1 47 47 ALA C C 13 180.089 0.400 . 1 . . . . 47 ALA C . 26970 1 522 . 1 1 47 47 ALA CA C 13 54.442 0.400 . 1 . . . . 47 ALA CA . 26970 1 523 . 1 1 47 47 ALA CB C 13 17.547 0.400 . 1 . . . . 47 ALA CB . 26970 1 524 . 1 1 47 47 ALA N N 15 121.571 0.400 . 1 . . . . 47 ALA N . 26970 1 525 . 1 1 48 48 ALA H H 1 8.673 0.020 . 1 . . . . 48 ALA H . 26970 1 526 . 1 1 48 48 ALA HA H 1 3.775 0.020 . 1 . . . . 48 ALA HA . 26970 1 527 . 1 1 48 48 ALA HB1 H 1 1.405 0.020 . 1 . . . . 48 ALA HB1 . 26970 1 528 . 1 1 48 48 ALA HB2 H 1 1.405 0.020 . 1 . . . . 48 ALA HB2 . 26970 1 529 . 1 1 48 48 ALA HB3 H 1 1.405 0.020 . 1 . . . . 48 ALA HB3 . 26970 1 530 . 1 1 48 48 ALA C C 13 177.696 0.400 . 1 . . . . 48 ALA C . 26970 1 531 . 1 1 48 48 ALA CA C 13 55.084 0.400 . 1 . . . . 48 ALA CA . 26970 1 532 . 1 1 48 48 ALA CB C 13 16.800 0.400 . 1 . . . . 48 ALA CB . 26970 1 533 . 1 1 48 48 ALA N N 15 120.762 0.400 . 1 . . . . 48 ALA N . 26970 1 534 . 1 1 49 49 CYS H H 1 8.248 0.020 . 1 . . . . 49 CYS H . 26970 1 535 . 1 1 49 49 CYS HA H 1 4.038 0.020 . 1 . . . . 49 CYS HA . 26970 1 536 . 1 1 49 49 CYS HB2 H 1 3.544 0.020 . 2 . . . . 49 CYS HB2 . 26970 1 537 . 1 1 49 49 CYS HB3 H 1 2.701 0.020 . 2 . . . . 49 CYS HB3 . 26970 1 538 . 1 1 49 49 CYS C C 13 174.309 0.400 . 1 . . . . 49 CYS C . 26970 1 539 . 1 1 49 49 CYS CA C 13 60.130 0.400 . 1 . . . . 49 CYS CA . 26970 1 540 . 1 1 49 49 CYS CB C 13 35.768 0.400 . 1 . . . . 49 CYS CB . 26970 1 541 . 1 1 49 49 CYS N N 15 117.199 0.400 . 1 . . . . 49 CYS N . 26970 1 542 . 1 1 50 50 ASN H H 1 8.277 0.020 . 1 . . . . 50 ASN H . 26970 1 543 . 1 1 50 50 ASN HA H 1 4.465 0.020 . 1 . . . . 50 ASN HA . 26970 1 544 . 1 1 50 50 ASN HB2 H 1 2.866 0.020 . 2 . . . . 50 ASN HB2 . 26970 1 545 . 1 1 50 50 ASN HB3 H 1 2.798 0.020 . 2 . . . . 50 ASN HB3 . 26970 1 546 . 1 1 50 50 ASN HD21 H 1 7.313 0.020 . 2 . . . . 50 ASN HD21 . 26970 1 547 . 1 1 50 50 ASN HD22 H 1 7.212 0.020 . 2 . . . . 50 ASN HD22 . 26970 1 548 . 1 1 50 50 ASN C C 13 177.995 0.400 . 1 . . . . 50 ASN C . 26970 1 549 . 1 1 50 50 ASN CA C 13 56.371 0.400 . 1 . . . . 50 ASN CA . 26970 1 550 . 1 1 50 50 ASN CB C 13 37.964 0.400 . 1 . . . . 50 ASN CB . 26970 1 551 . 1 1 50 50 ASN N N 15 119.623 0.400 . 1 . . . . 50 ASN N . 26970 1 552 . 1 1 50 50 ASN ND2 N 15 114.471 0.400 . 1 . . . . 50 ASN ND2 . 26970 1 553 . 1 1 51 51 CYS H H 1 8.590 0.020 . 1 . . . . 51 CYS H . 26970 1 554 . 1 1 51 51 CYS HA H 1 4.511 0.020 . 1 . . . . 51 CYS HA . 26970 1 555 . 1 1 51 51 CYS HB2 H 1 3.113 0.020 . 2 . . . . 51 CYS HB2 . 26970 1 556 . 1 1 51 51 CYS HB3 H 1 2.918 0.020 . 2 . . . . 51 CYS HB3 . 26970 1 557 . 1 1 51 51 CYS C C 13 176.762 0.400 . 1 . . . . 51 CYS C . 26970 1 558 . 1 1 51 51 CYS CA C 13 56.182 0.400 . 1 . . . . 51 CYS CA . 26970 1 559 . 1 1 51 51 CYS CB C 13 35.631 0.400 . 1 . . . . 51 CYS CB . 26970 1 560 . 1 1 51 51 CYS N N 15 118.677 0.400 . 1 . . . . 51 CYS N . 26970 1 561 . 1 1 52 52 LEU H H 1 8.474 0.020 . 1 . . . . 52 LEU H . 26970 1 562 . 1 1 52 52 LEU HA H 1 3.959 0.020 . 1 . . . . 52 LEU HA . 26970 1 563 . 1 1 52 52 LEU HB2 H 1 2.119 0.020 . 2 . . . . 52 LEU HB2 . 26970 1 564 . 1 1 52 52 LEU HB3 H 1 1.315 0.020 . 2 . . . . 52 LEU HB3 . 26970 1 565 . 1 1 52 52 LEU HG H 1 1.856 0.020 . 1 . . . . 52 LEU HG . 26970 1 566 . 1 1 52 52 LEU HD11 H 1 0.825 0.020 . 2 . . . . 52 LEU HD11 . 26970 1 567 . 1 1 52 52 LEU HD12 H 1 0.825 0.020 . 2 . . . . 52 LEU HD12 . 26970 1 568 . 1 1 52 52 LEU HD13 H 1 0.825 0.020 . 2 . . . . 52 LEU HD13 . 26970 1 569 . 1 1 52 52 LEU HD21 H 1 0.735 0.020 . 2 . . . . 52 LEU HD21 . 26970 1 570 . 1 1 52 52 LEU HD22 H 1 0.735 0.020 . 2 . . . . 52 LEU HD22 . 26970 1 571 . 1 1 52 52 LEU HD23 H 1 0.735 0.020 . 2 . . . . 52 LEU HD23 . 26970 1 572 . 1 1 52 52 LEU C C 13 177.229 0.400 . 1 . . . . 52 LEU C . 26970 1 573 . 1 1 52 52 LEU CA C 13 57.422 0.400 . 1 . . . . 52 LEU CA . 26970 1 574 . 1 1 52 52 LEU CB C 13 41.107 0.400 . 1 . . . . 52 LEU CB . 26970 1 575 . 1 1 52 52 LEU CG C 13 26.457 0.400 . 1 . . . . 52 LEU CG . 26970 1 576 . 1 1 52 52 LEU CD1 C 13 25.484 0.400 . 2 . . . . 52 LEU CD1 . 26970 1 577 . 1 1 52 52 LEU CD2 C 13 22.903 0.400 . 2 . . . . 52 LEU CD2 . 26970 1 578 . 1 1 52 52 LEU N N 15 121.308 0.400 . 1 . . . . 52 LEU N . 26970 1 579 . 1 1 53 53 LYS H H 1 8.383 0.020 . 1 . . . . 53 LYS H . 26970 1 580 . 1 1 53 53 LYS HA H 1 3.982 0.020 . 1 . . . . 53 LYS HA . 26970 1 581 . 1 1 53 53 LYS HB2 H 1 1.987 0.020 . 2 . . . . 53 LYS HB2 . 26970 1 582 . 1 1 53 53 LYS HB3 H 1 1.987 0.020 . 2 . . . . 53 LYS HB3 . 26970 1 583 . 1 1 53 53 LYS HG2 H 1 1.717 0.020 . 2 . . . . 53 LYS HG2 . 26970 1 584 . 1 1 53 53 LYS HG3 H 1 1.392 0.020 . 2 . . . . 53 LYS HG3 . 26970 1 585 . 1 1 53 53 LYS HD2 H 1 1.850 0.020 . 2 . . . . 53 LYS HD2 . 26970 1 586 . 1 1 53 53 LYS HD3 H 1 1.750 0.020 . 2 . . . . 53 LYS HD3 . 26970 1 587 . 1 1 53 53 LYS HE2 H 1 3.051 0.020 . 2 . . . . 53 LYS HE2 . 26970 1 588 . 1 1 53 53 LYS HE3 H 1 3.051 0.020 . 2 . . . . 53 LYS HE3 . 26970 1 589 . 1 1 53 53 LYS C C 13 178.844 0.400 . 1 . . . . 53 LYS C . 26970 1 590 . 1 1 53 53 LYS CA C 13 59.434 0.400 . 1 . . . . 53 LYS CA . 26970 1 591 . 1 1 53 53 LYS CB C 13 32.373 0.400 . 1 . . . . 53 LYS CB . 26970 1 592 . 1 1 53 53 LYS CG C 13 24.310 0.400 . 1 . . . . 53 LYS CG . 26970 1 593 . 1 1 53 53 LYS CD C 13 29.415 0.400 . 1 . . . . 53 LYS CD . 26970 1 594 . 1 1 53 53 LYS CE C 13 41.875 0.400 . 1 . . . . 53 LYS CE . 26970 1 595 . 1 1 53 53 LYS N N 15 118.540 0.400 . 1 . . . . 53 LYS N . 26970 1 596 . 1 1 54 54 SER H H 1 7.900 0.020 . 1 . . . . 54 SER H . 26970 1 597 . 1 1 54 54 SER HA H 1 4.270 0.020 . 1 . . . . 54 SER HA . 26970 1 598 . 1 1 54 54 SER HB2 H 1 4.012 0.020 . 2 . . . . 54 SER HB2 . 26970 1 599 . 1 1 54 54 SER HB3 H 1 4.012 0.020 . 2 . . . . 54 SER HB3 . 26970 1 600 . 1 1 54 54 SER C C 13 176.511 0.400 . 1 . . . . 54 SER C . 26970 1 601 . 1 1 54 54 SER CA C 13 60.491 0.400 . 1 . . . . 54 SER CA . 26970 1 602 . 1 1 54 54 SER CB C 13 62.292 0.400 . 1 . . . . 54 SER CB . 26970 1 603 . 1 1 54 54 SER N N 15 113.673 0.400 . 1 . . . . 54 SER N . 26970 1 604 . 1 1 55 55 ALA H H 1 8.116 0.020 . 1 . . . . 55 ALA H . 26970 1 605 . 1 1 55 55 ALA HA H 1 4.213 0.020 . 1 . . . . 55 ALA HA . 26970 1 606 . 1 1 55 55 ALA HB1 H 1 1.448 0.020 . 1 . . . . 55 ALA HB1 . 26970 1 607 . 1 1 55 55 ALA HB2 H 1 1.448 0.020 . 1 . . . . 55 ALA HB2 . 26970 1 608 . 1 1 55 55 ALA HB3 H 1 1.448 0.020 . 1 . . . . 55 ALA HB3 . 26970 1 609 . 1 1 55 55 ALA C C 13 179.526 0.400 . 1 . . . . 55 ALA C . 26970 1 610 . 1 1 55 55 ALA CA C 13 53.700 0.400 . 1 . . . . 55 ALA CA . 26970 1 611 . 1 1 55 55 ALA CB C 13 17.686 0.400 . 1 . . . . 55 ALA CB . 26970 1 612 . 1 1 55 55 ALA N N 15 124.157 0.400 . 1 . . . . 55 ALA N . 26970 1 613 . 1 1 56 56 ALA H H 1 8.223 0.020 . 1 . . . . 56 ALA H . 26970 1 614 . 1 1 56 56 ALA HA H 1 3.906 0.020 . 1 . . . . 56 ALA HA . 26970 1 615 . 1 1 56 56 ALA HB1 H 1 1.448 0.020 . 1 . . . . 56 ALA HB1 . 26970 1 616 . 1 1 56 56 ALA HB2 H 1 1.448 0.020 . 1 . . . . 56 ALA HB2 . 26970 1 617 . 1 1 56 56 ALA HB3 H 1 1.448 0.020 . 1 . . . . 56 ALA HB3 . 26970 1 618 . 1 1 56 56 ALA C C 13 178.449 0.400 . 1 . . . . 56 ALA C . 26970 1 619 . 1 1 56 56 ALA CA C 13 54.205 0.400 . 1 . . . . 56 ALA CA . 26970 1 620 . 1 1 56 56 ALA CB C 13 17.534 0.400 . 1 . . . . 56 ALA CB . 26970 1 621 . 1 1 56 56 ALA N N 15 119.402 0.400 . 1 . . . . 56 ALA N . 26970 1 622 . 1 1 57 57 GLY H H 1 7.686 0.020 . 1 . . . . 57 GLY H . 26970 1 623 . 1 1 57 57 GLY HA2 H 1 3.991 0.020 . 2 . . . . 57 GLY HA2 . 26970 1 624 . 1 1 57 57 GLY HA3 H 1 3.947 0.020 . 2 . . . . 57 GLY HA3 . 26970 1 625 . 1 1 57 57 GLY C C 13 173.938 0.400 . 1 . . . . 57 GLY C . 26970 1 626 . 1 1 57 57 GLY CA C 13 45.478 0.400 . 1 . . . . 57 GLY CA . 26970 1 627 . 1 1 57 57 GLY N N 15 102.523 0.400 . 1 . . . . 57 GLY N . 26970 1 628 . 1 1 58 58 SER H H 1 7.637 0.020 . 1 . . . . 58 SER H . 26970 1 629 . 1 1 58 58 SER HA H 1 4.595 0.020 . 1 . . . . 58 SER HA . 26970 1 630 . 1 1 58 58 SER HB2 H 1 3.969 0.020 . 2 . . . . 58 SER HB2 . 26970 1 631 . 1 1 58 58 SER HB3 H 1 3.969 0.020 . 2 . . . . 58 SER HB3 . 26970 1 632 . 1 1 58 58 SER C C 13 173.113 0.400 . 1 . . . . 58 SER C . 26970 1 633 . 1 1 58 58 SER CA C 13 57.868 0.400 . 1 . . . . 58 SER CA . 26970 1 634 . 1 1 58 58 SER CB C 13 63.722 0.400 . 1 . . . . 58 SER CB . 26970 1 635 . 1 1 58 58 SER N N 15 113.522 0.400 . 1 . . . . 58 SER N . 26970 1 636 . 1 1 59 59 ILE H H 1 7.423 0.020 . 1 . . . . 59 ILE H . 26970 1 637 . 1 1 59 59 ILE HA H 1 4.257 0.020 . 1 . . . . 59 ILE HA . 26970 1 638 . 1 1 59 59 ILE HB H 1 1.913 0.020 . 1 . . . . 59 ILE HB . 26970 1 639 . 1 1 59 59 ILE HG12 H 1 1.014 0.020 . 2 . . . . 59 ILE HG12 . 26970 1 640 . 1 1 59 59 ILE HG13 H 1 1.729 0.020 . 2 . . . . 59 ILE HG13 . 26970 1 641 . 1 1 59 59 ILE HG21 H 1 0.753 0.020 . 1 . . . . 59 ILE HG21 . 26970 1 642 . 1 1 59 59 ILE HG22 H 1 0.753 0.020 . 1 . . . . 59 ILE HG22 . 26970 1 643 . 1 1 59 59 ILE HG23 H 1 0.753 0.020 . 1 . . . . 59 ILE HG23 . 26970 1 644 . 1 1 59 59 ILE HD11 H 1 0.745 0.020 . 1 . . . . 59 ILE HD11 . 26970 1 645 . 1 1 59 59 ILE HD12 H 1 0.745 0.020 . 1 . . . . 59 ILE HD12 . 26970 1 646 . 1 1 59 59 ILE HD13 H 1 0.745 0.020 . 1 . . . . 59 ILE HD13 . 26970 1 647 . 1 1 59 59 ILE C C 13 175.135 0.400 . 1 . . . . 59 ILE C . 26970 1 648 . 1 1 59 59 ILE CA C 13 59.687 0.400 . 1 . . . . 59 ILE CA . 26970 1 649 . 1 1 59 59 ILE CB C 13 36.988 0.400 . 1 . . . . 59 ILE CB . 26970 1 650 . 1 1 59 59 ILE CG1 C 13 26.209 0.400 . 1 . . . . 59 ILE CG1 . 26970 1 651 . 1 1 59 59 ILE CG2 C 13 17.113 0.400 . 1 . . . . 59 ILE CG2 . 26970 1 652 . 1 1 59 59 ILE CD1 C 13 12.788 0.400 . 1 . . . . 59 ILE CD1 . 26970 1 653 . 1 1 59 59 ILE N N 15 122.793 0.400 . 1 . . . . 59 ILE N . 26970 1 654 . 1 1 60 60 THR H H 1 8.203 0.020 . 1 . . . . 60 THR H . 26970 1 655 . 1 1 60 60 THR HA H 1 4.076 0.020 . 1 . . . . 60 THR HA . 26970 1 656 . 1 1 60 60 THR HB H 1 4.167 0.020 . 1 . . . . 60 THR HB . 26970 1 657 . 1 1 60 60 THR HG1 H 1 4.748 0.020 . 1 . . . . 60 THR HG1 . 26970 1 658 . 1 1 60 60 THR HG21 H 1 1.285 0.020 . 1 . . . . 60 THR HG21 . 26970 1 659 . 1 1 60 60 THR HG22 H 1 1.285 0.020 . 1 . . . . 60 THR HG22 . 26970 1 660 . 1 1 60 60 THR HG23 H 1 1.285 0.020 . 1 . . . . 60 THR HG23 . 26970 1 661 . 1 1 60 60 THR C C 13 174.752 0.400 . 1 . . . . 60 THR C . 26970 1 662 . 1 1 60 60 THR CA C 13 63.575 0.400 . 1 . . . . 60 THR CA . 26970 1 663 . 1 1 60 60 THR CB C 13 68.219 0.400 . 1 . . . . 60 THR CB . 26970 1 664 . 1 1 60 60 THR CG2 C 13 21.459 0.400 . 1 . . . . 60 THR CG2 . 26970 1 665 . 1 1 60 60 THR N N 15 121.428 0.400 . 1 . . . . 60 THR N . 26970 1 666 . 1 1 61 61 LYS H H 1 8.292 0.020 . 1 . . . . 61 LYS H . 26970 1 667 . 1 1 61 61 LYS HA H 1 4.244 0.020 . 1 . . . . 61 LYS HA . 26970 1 668 . 1 1 61 61 LYS HB2 H 1 2.061 0.020 . 2 . . . . 61 LYS HB2 . 26970 1 669 . 1 1 61 61 LYS HB3 H 1 1.733 0.020 . 2 . . . . 61 LYS HB3 . 26970 1 670 . 1 1 61 61 LYS HG2 H 1 1.460 0.020 . 2 . . . . 61 LYS HG2 . 26970 1 671 . 1 1 61 61 LYS HG3 H 1 1.399 0.020 . 2 . . . . 61 LYS HG3 . 26970 1 672 . 1 1 61 61 LYS HD2 H 1 1.713 0.020 . 2 . . . . 61 LYS HD2 . 26970 1 673 . 1 1 61 61 LYS HD3 H 1 1.713 0.020 . 2 . . . . 61 LYS HD3 . 26970 1 674 . 1 1 61 61 LYS HE2 H 1 3.024 0.020 . 2 . . . . 61 LYS HE2 . 26970 1 675 . 1 1 61 61 LYS HE3 H 1 3.024 0.020 . 2 . . . . 61 LYS HE3 . 26970 1 676 . 1 1 61 61 LYS C C 13 174.572 0.400 . 1 . . . . 61 LYS C . 26970 1 677 . 1 1 61 61 LYS CA C 13 55.150 0.400 . 1 . . . . 61 LYS CA . 26970 1 678 . 1 1 61 61 LYS CB C 13 30.266 0.400 . 1 . . . . 61 LYS CB . 26970 1 679 . 1 1 61 61 LYS CG C 13 24.492 0.400 . 1 . . . . 61 LYS CG . 26970 1 680 . 1 1 61 61 LYS CD C 13 28.351 0.400 . 1 . . . . 61 LYS CD . 26970 1 681 . 1 1 61 61 LYS CE C 13 41.527 0.400 . 1 . . . . 61 LYS CE . 26970 1 682 . 1 1 61 61 LYS N N 15 119.514 0.400 . 1 . . . . 61 LYS N . 26970 1 683 . 1 1 62 62 LEU H H 1 7.463 0.020 . 1 . . . . 62 LEU H . 26970 1 684 . 1 1 62 62 LEU HA H 1 3.873 0.020 . 1 . . . . 62 LEU HA . 26970 1 685 . 1 1 62 62 LEU HB2 H 1 1.722 0.020 . 2 . . . . 62 LEU HB2 . 26970 1 686 . 1 1 62 62 LEU HB3 H 1 1.576 0.020 . 2 . . . . 62 LEU HB3 . 26970 1 687 . 1 1 62 62 LEU HG H 1 1.394 0.020 . 1 . . . . 62 LEU HG . 26970 1 688 . 1 1 62 62 LEU HD11 H 1 0.902 0.020 . 2 . . . . 62 LEU HD11 . 26970 1 689 . 1 1 62 62 LEU HD12 H 1 0.902 0.020 . 2 . . . . 62 LEU HD12 . 26970 1 690 . 1 1 62 62 LEU HD13 H 1 0.902 0.020 . 2 . . . . 62 LEU HD13 . 26970 1 691 . 1 1 62 62 LEU HD21 H 1 0.881 0.020 . 2 . . . . 62 LEU HD21 . 26970 1 692 . 1 1 62 62 LEU HD22 H 1 0.881 0.020 . 2 . . . . 62 LEU HD22 . 26970 1 693 . 1 1 62 62 LEU HD23 H 1 0.881 0.020 . 2 . . . . 62 LEU HD23 . 26970 1 694 . 1 1 62 62 LEU C C 13 174.931 0.400 . 1 . . . . 62 LEU C . 26970 1 695 . 1 1 62 62 LEU CA C 13 55.498 0.400 . 1 . . . . 62 LEU CA . 26970 1 696 . 1 1 62 62 LEU CB C 13 41.813 0.400 . 1 . . . . 62 LEU CB . 26970 1 697 . 1 1 62 62 LEU CG C 13 26.364 0.400 . 1 . . . . 62 LEU CG . 26970 1 698 . 1 1 62 62 LEU CD1 C 13 24.041 0.400 . 2 . . . . 62 LEU CD1 . 26970 1 699 . 1 1 62 62 LEU CD2 C 13 25.484 0.400 . 2 . . . . 62 LEU CD2 . 26970 1 700 . 1 1 62 62 LEU N N 15 120.414 0.400 . 1 . . . . 62 LEU N . 26970 1 701 . 1 1 63 63 ASN H H 1 9.083 0.020 . 1 . . . . 63 ASN H . 26970 1 702 . 1 1 63 63 ASN HA H 1 4.889 0.020 . 1 . . . . 63 ASN HA . 26970 1 703 . 1 1 63 63 ASN HB2 H 1 2.671 0.020 . 2 . . . . 63 ASN HB2 . 26970 1 704 . 1 1 63 63 ASN HB3 H 1 2.377 0.020 . 2 . . . . 63 ASN HB3 . 26970 1 705 . 1 1 63 63 ASN HD21 H 1 7.567 0.020 . 2 . . . . 63 ASN HD21 . 26970 1 706 . 1 1 63 63 ASN HD22 H 1 6.917 0.020 . 2 . . . . 63 ASN HD22 . 26970 1 707 . 1 1 63 63 ASN C C 13 174.273 0.400 . 1 . . . . 63 ASN C . 26970 1 708 . 1 1 63 63 ASN CA C 13 51.604 0.400 . 1 . . . . 63 ASN CA . 26970 1 709 . 1 1 63 63 ASN CB C 13 37.838 0.400 . 1 . . . . 63 ASN CB . 26970 1 710 . 1 1 63 63 ASN N N 15 126.586 0.400 . 1 . . . . 63 ASN N . 26970 1 711 . 1 1 63 63 ASN ND2 N 15 113.023 0.400 . 1 . . . . 63 ASN ND2 . 26970 1 712 . 1 1 64 64 THR H H 1 8.649 0.020 . 1 . . . . 64 THR H . 26970 1 713 . 1 1 64 64 THR HA H 1 3.765 0.020 . 1 . . . . 64 THR HA . 26970 1 714 . 1 1 64 64 THR HB H 1 4.303 0.020 . 1 . . . . 64 THR HB . 26970 1 715 . 1 1 64 64 THR HG21 H 1 1.295 0.020 . 1 . . . . 64 THR HG21 . 26970 1 716 . 1 1 64 64 THR HG22 H 1 1.295 0.020 . 1 . . . . 64 THR HG22 . 26970 1 717 . 1 1 64 64 THR HG23 H 1 1.295 0.020 . 1 . . . . 64 THR HG23 . 26970 1 718 . 1 1 64 64 THR C C 13 175.925 0.400 . 1 . . . . 64 THR C . 26970 1 719 . 1 1 64 64 THR CA C 13 65.117 0.400 . 1 . . . . 64 THR CA . 26970 1 720 . 1 1 64 64 THR CB C 13 67.173 0.400 . 1 . . . . 64 THR CB . 26970 1 721 . 1 1 64 64 THR CG2 C 13 21.743 0.400 . 1 . . . . 64 THR CG2 . 26970 1 722 . 1 1 64 64 THR N N 15 119.413 0.400 . 1 . . . . 64 THR N . 26970 1 723 . 1 1 65 65 ASN H H 1 8.179 0.020 . 1 . . . . 65 ASN H . 26970 1 724 . 1 1 65 65 ASN HA H 1 4.511 0.020 . 1 . . . . 65 ASN HA . 26970 1 725 . 1 1 65 65 ASN HB2 H 1 2.968 0.020 . 2 . . . . 65 ASN HB2 . 26970 1 726 . 1 1 65 65 ASN HB3 H 1 2.865 0.020 . 2 . . . . 65 ASN HB3 . 26970 1 727 . 1 1 65 65 ASN HD21 H 1 7.613 0.020 . 2 . . . . 65 ASN HD21 . 26970 1 728 . 1 1 65 65 ASN HD22 H 1 7.011 0.020 . 2 . . . . 65 ASN HD22 . 26970 1 729 . 1 1 65 65 ASN C C 13 177.145 0.400 . 1 . . . . 65 ASN C . 26970 1 730 . 1 1 65 65 ASN CA C 13 55.635 0.400 . 1 . . . . 65 ASN CA . 26970 1 731 . 1 1 65 65 ASN CB C 13 36.980 0.400 . 1 . . . . 65 ASN CB . 26970 1 732 . 1 1 65 65 ASN N N 15 121.990 0.400 . 1 . . . . 65 ASN N . 26970 1 733 . 1 1 65 65 ASN ND2 N 15 113.229 0.400 . 1 . . . . 65 ASN ND2 . 26970 1 734 . 1 1 66 66 ASN H H 1 8.354 0.020 . 1 . . . . 66 ASN H . 26970 1 735 . 1 1 66 66 ASN HA H 1 4.347 0.020 . 1 . . . . 66 ASN HA . 26970 1 736 . 1 1 66 66 ASN HB2 H 1 2.461 0.020 . 2 . . . . 66 ASN HB2 . 26970 1 737 . 1 1 66 66 ASN HB3 H 1 1.595 0.020 . 2 . . . . 66 ASN HB3 . 26970 1 738 . 1 1 66 66 ASN HD21 H 1 6.996 0.020 . 2 . . . . 66 ASN HD21 . 26970 1 739 . 1 1 66 66 ASN HD22 H 1 6.885 0.020 . 2 . . . . 66 ASN HD22 . 26970 1 740 . 1 1 66 66 ASN C C 13 177.025 0.400 . 1 . . . . 66 ASN C . 26970 1 741 . 1 1 66 66 ASN CA C 13 54.144 0.400 . 1 . . . . 66 ASN CA . 26970 1 742 . 1 1 66 66 ASN CB C 13 34.893 0.400 . 1 . . . . 66 ASN CB . 26970 1 743 . 1 1 66 66 ASN N N 15 122.319 0.400 . 1 . . . . 66 ASN N . 26970 1 744 . 1 1 66 66 ASN ND2 N 15 108.603 0.400 . 1 . . . . 66 ASN ND2 . 26970 1 745 . 1 1 67 67 ALA H H 1 8.065 0.020 . 1 . . . . 67 ALA H . 26970 1 746 . 1 1 67 67 ALA HA H 1 3.887 0.020 . 1 . . . . 67 ALA HA . 26970 1 747 . 1 1 67 67 ALA HB1 H 1 1.418 0.020 . 1 . . . . 67 ALA HB1 . 26970 1 748 . 1 1 67 67 ALA HB2 H 1 1.418 0.020 . 1 . . . . 67 ALA HB2 . 26970 1 749 . 1 1 67 67 ALA HB3 H 1 1.418 0.020 . 1 . . . . 67 ALA HB3 . 26970 1 750 . 1 1 67 67 ALA C C 13 176.403 0.400 . 1 . . . . 67 ALA C . 26970 1 751 . 1 1 67 67 ALA CA C 13 55.153 0.400 . 1 . . . . 67 ALA CA . 26970 1 752 . 1 1 67 67 ALA CB C 13 17.133 0.400 . 1 . . . . 67 ALA CB . 26970 1 753 . 1 1 67 67 ALA N N 15 122.082 0.400 . 1 . . . . 67 ALA N . 26970 1 754 . 1 1 68 68 ALA H H 1 7.797 0.020 . 1 . . . . 68 ALA H . 26970 1 755 . 1 1 68 68 ALA HA H 1 4.145 0.020 . 1 . . . . 68 ALA HA . 26970 1 756 . 1 1 68 68 ALA HB1 H 1 1.596 0.020 . 1 . . . . 68 ALA HB1 . 26970 1 757 . 1 1 68 68 ALA HB2 H 1 1.596 0.020 . 1 . . . . 68 ALA HB2 . 26970 1 758 . 1 1 68 68 ALA HB3 H 1 1.596 0.020 . 1 . . . . 68 ALA HB3 . 26970 1 759 . 1 1 68 68 ALA C C 13 179.024 0.400 . 1 . . . . 68 ALA C . 26970 1 760 . 1 1 68 68 ALA CA C 13 53.508 0.400 . 1 . . . . 68 ALA CA . 26970 1 761 . 1 1 68 68 ALA CB C 13 17.713 0.400 . 1 . . . . 68 ALA CB . 26970 1 762 . 1 1 68 68 ALA N N 15 115.278 0.400 . 1 . . . . 68 ALA N . 26970 1 763 . 1 1 69 69 ALA H H 1 7.672 0.020 . 1 . . . . 69 ALA H . 26970 1 764 . 1 1 69 69 ALA HA H 1 4.378 0.020 . 1 . . . . 69 ALA HA . 26970 1 765 . 1 1 69 69 ALA HB1 H 1 1.596 0.020 . 1 . . . . 69 ALA HB1 . 26970 1 766 . 1 1 69 69 ALA HB2 H 1 1.596 0.020 . 1 . . . . 69 ALA HB2 . 26970 1 767 . 1 1 69 69 ALA HB3 H 1 1.596 0.020 . 1 . . . . 69 ALA HB3 . 26970 1 768 . 1 1 69 69 ALA C C 13 177.564 0.400 . 1 . . . . 69 ALA C . 26970 1 769 . 1 1 69 69 ALA CA C 13 51.813 0.400 . 1 . . . . 69 ALA CA . 26970 1 770 . 1 1 69 69 ALA CB C 13 18.890 0.400 . 1 . . . . 69 ALA CB . 26970 1 771 . 1 1 69 69 ALA N N 15 117.975 0.400 . 1 . . . . 69 ALA N . 26970 1 772 . 1 1 70 70 LEU H H 1 7.614 0.020 . 1 . . . . 70 LEU H . 26970 1 773 . 1 1 70 70 LEU HA H 1 4.196 0.020 . 1 . . . . 70 LEU HA . 26970 1 774 . 1 1 70 70 LEU HB2 H 1 2.253 0.020 . 2 . . . . 70 LEU HB2 . 26970 1 775 . 1 1 70 70 LEU HB3 H 1 2.023 0.020 . 2 . . . . 70 LEU HB3 . 26970 1 776 . 1 1 70 70 LEU HG H 1 1.521 0.020 . 1 . . . . 70 LEU HG . 26970 1 777 . 1 1 70 70 LEU HD11 H 1 1.102 0.020 . 2 . . . . 70 LEU HD11 . 26970 1 778 . 1 1 70 70 LEU HD12 H 1 1.102 0.020 . 2 . . . . 70 LEU HD12 . 26970 1 779 . 1 1 70 70 LEU HD13 H 1 1.102 0.020 . 2 . . . . 70 LEU HD13 . 26970 1 780 . 1 1 70 70 LEU HD21 H 1 1.016 0.020 . 2 . . . . 70 LEU HD21 . 26970 1 781 . 1 1 70 70 LEU HD22 H 1 1.016 0.020 . 2 . . . . 70 LEU HD22 . 26970 1 782 . 1 1 70 70 LEU HD23 H 1 1.016 0.020 . 2 . . . . 70 LEU HD23 . 26970 1 783 . 1 1 70 70 LEU CA C 13 59.782 0.400 . 1 . . . . 70 LEU CA . 26970 1 784 . 1 1 70 70 LEU CB C 13 38.964 0.400 . 1 . . . . 70 LEU CB . 26970 1 785 . 1 1 70 70 LEU CG C 13 27.007 0.400 . 1 . . . . 70 LEU CG . 26970 1 786 . 1 1 70 70 LEU CD1 C 13 24.816 0.400 . 2 . . . . 70 LEU CD1 . 26970 1 787 . 1 1 70 70 LEU CD2 C 13 25.346 0.400 . 2 . . . . 70 LEU CD2 . 26970 1 788 . 1 1 70 70 LEU N N 15 118.334 0.400 . 1 . . . . 70 LEU N . 26970 1 789 . 1 1 71 71 PRO HA H 1 3.917 0.020 . 1 . . . . 71 PRO HA . 26970 1 790 . 1 1 71 71 PRO HB2 H 1 2.125 0.020 . 2 . . . . 71 PRO HB2 . 26970 1 791 . 1 1 71 71 PRO HB3 H 1 2.043 0.020 . 2 . . . . 71 PRO HB3 . 26970 1 792 . 1 1 71 71 PRO HG2 H 1 2.393 0.020 . 2 . . . . 71 PRO HG2 . 26970 1 793 . 1 1 71 71 PRO HG3 H 1 1.719 0.020 . 2 . . . . 71 PRO HG3 . 26970 1 794 . 1 1 71 71 PRO HD2 H 1 3.749 0.020 . 2 . . . . 71 PRO HD2 . 26970 1 795 . 1 1 71 71 PRO HD3 H 1 3.856 0.020 . 2 . . . . 71 PRO HD3 . 26970 1 796 . 1 1 71 71 PRO C C 13 178.210 0.400 . 1 . . . . 71 PRO C . 26970 1 797 . 1 1 71 71 PRO CA C 13 66.551 0.400 . 1 . . . . 71 PRO CA . 26970 1 798 . 1 1 71 71 PRO CB C 13 29.991 0.400 . 1 . . . . 71 PRO CB . 26970 1 799 . 1 1 71 71 PRO CG C 13 28.422 0.400 . 1 . . . . 71 PRO CG . 26970 1 800 . 1 1 71 71 PRO CD C 13 48.697 0.400 . 1 . . . . 71 PRO CD . 26970 1 801 . 1 1 72 72 GLY H H 1 8.500 0.020 . 1 . . . . 72 GLY H . 26970 1 802 . 1 1 72 72 GLY HA2 H 1 3.933 0.020 . 2 . . . . 72 GLY HA2 . 26970 1 803 . 1 1 72 72 GLY HA3 H 1 3.933 0.020 . 2 . . . . 72 GLY HA3 . 26970 1 804 . 1 1 72 72 GLY C C 13 178.066 0.400 . 1 . . . . 72 GLY C . 26970 1 805 . 1 1 72 72 GLY CA C 13 46.484 0.400 . 1 . . . . 72 GLY CA . 26970 1 806 . 1 1 72 72 GLY N N 15 106.035 0.400 . 1 . . . . 72 GLY N . 26970 1 807 . 1 1 73 73 LYS H H 1 8.386 0.020 . 1 . . . . 73 LYS H . 26970 1 808 . 1 1 73 73 LYS HA H 1 4.209 0.020 . 1 . . . . 73 LYS HA . 26970 1 809 . 1 1 73 73 LYS HB2 H 1 1.940 0.020 . 2 . . . . 73 LYS HB2 . 26970 1 810 . 1 1 73 73 LYS HB3 H 1 1.607 0.020 . 2 . . . . 73 LYS HB3 . 26970 1 811 . 1 1 73 73 LYS HG2 H 1 1.592 0.020 . 2 . . . . 73 LYS HG2 . 26970 1 812 . 1 1 73 73 LYS HG3 H 1 1.549 0.020 . 2 . . . . 73 LYS HG3 . 26970 1 813 . 1 1 73 73 LYS HD2 H 1 1.682 0.020 . 2 . . . . 73 LYS HD2 . 26970 1 814 . 1 1 73 73 LYS HD3 H 1 1.682 0.020 . 2 . . . . 73 LYS HD3 . 26970 1 815 . 1 1 73 73 LYS HE2 H 1 3.119 0.020 . 2 . . . . 73 LYS HE2 . 26970 1 816 . 1 1 73 73 LYS HE3 H 1 2.995 0.020 . 2 . . . . 73 LYS HE3 . 26970 1 817 . 1 1 73 73 LYS C C 13 177.971 0.400 . 1 . . . . 73 LYS C . 26970 1 818 . 1 1 73 73 LYS CA C 13 57.655 0.400 . 1 . . . . 73 LYS CA . 26970 1 819 . 1 1 73 73 LYS CB C 13 32.063 0.400 . 1 . . . . 73 LYS CB . 26970 1 820 . 1 1 73 73 LYS CG C 13 24.916 0.400 . 1 . . . . 73 LYS CG . 26970 1 821 . 1 1 73 73 LYS CD C 13 27.969 0.400 . 1 . . . . 73 LYS CD . 26970 1 822 . 1 1 73 73 LYS CE C 13 41.589 0.400 . 1 . . . . 73 LYS CE . 26970 1 823 . 1 1 73 73 LYS N N 15 121.513 0.400 . 1 . . . . 73 LYS N . 26970 1 824 . 1 1 74 74 CYS H H 1 7.890 0.020 . 1 . . . . 74 CYS H . 26970 1 825 . 1 1 74 74 CYS HA H 1 4.952 0.020 . 1 . . . . 74 CYS HA . 26970 1 826 . 1 1 74 74 CYS HB2 H 1 3.189 0.020 . 2 . . . . 74 CYS HB2 . 26970 1 827 . 1 1 74 74 CYS HB3 H 1 2.678 0.020 . 2 . . . . 74 CYS HB3 . 26970 1 828 . 1 1 74 74 CYS C C 13 174.381 0.400 . 1 . . . . 74 CYS C . 26970 1 829 . 1 1 74 74 CYS CA C 13 51.869 0.400 . 1 . . . . 74 CYS CA . 26970 1 830 . 1 1 74 74 CYS CB C 13 34.950 0.400 . 1 . . . . 74 CYS CB . 26970 1 831 . 1 1 74 74 CYS N N 15 114.682 0.400 . 1 . . . . 74 CYS N . 26970 1 832 . 1 1 75 75 GLY H H 1 7.955 0.020 . 1 . . . . 75 GLY H . 26970 1 833 . 1 1 75 75 GLY HA2 H 1 4.035 0.020 . 2 . . . . 75 GLY HA2 . 26970 1 834 . 1 1 75 75 GLY HA3 H 1 3.898 0.020 . 2 . . . . 75 GLY HA3 . 26970 1 835 . 1 1 75 75 GLY C C 13 173.747 0.400 . 1 . . . . 75 GLY C . 26970 1 836 . 1 1 75 75 GLY CA C 13 45.757 0.400 . 1 . . . . 75 GLY CA . 26970 1 837 . 1 1 75 75 GLY N N 15 109.691 0.400 . 1 . . . . 75 GLY N . 26970 1 838 . 1 1 76 76 VAL H H 1 8.169 0.020 . 1 . . . . 76 VAL H . 26970 1 839 . 1 1 76 76 VAL HA H 1 4.384 0.020 . 1 . . . . 76 VAL HA . 26970 1 840 . 1 1 76 76 VAL HB H 1 1.912 0.020 . 1 . . . . 76 VAL HB . 26970 1 841 . 1 1 76 76 VAL HG11 H 1 0.798 0.020 . 2 . . . . 76 VAL HG11 . 26970 1 842 . 1 1 76 76 VAL HG12 H 1 0.798 0.020 . 2 . . . . 76 VAL HG12 . 26970 1 843 . 1 1 76 76 VAL HG13 H 1 0.798 0.020 . 2 . . . . 76 VAL HG13 . 26970 1 844 . 1 1 76 76 VAL HG21 H 1 0.728 0.020 . 2 . . . . 76 VAL HG21 . 26970 1 845 . 1 1 76 76 VAL HG22 H 1 0.728 0.020 . 2 . . . . 76 VAL HG22 . 26970 1 846 . 1 1 76 76 VAL HG23 H 1 0.728 0.020 . 2 . . . . 76 VAL HG23 . 26970 1 847 . 1 1 76 76 VAL C C 13 173.184 0.400 . 1 . . . . 76 VAL C . 26970 1 848 . 1 1 76 76 VAL CA C 13 59.086 0.400 . 1 . . . . 76 VAL CA . 26970 1 849 . 1 1 76 76 VAL CB C 13 33.210 0.400 . 1 . . . . 76 VAL CB . 26970 1 850 . 1 1 76 76 VAL CG1 C 13 21.142 0.400 . 2 . . . . 76 VAL CG1 . 26970 1 851 . 1 1 76 76 VAL CG2 C 13 19.158 0.400 . 2 . . . . 76 VAL CG2 . 26970 1 852 . 1 1 76 76 VAL N N 15 116.064 0.400 . 1 . . . . 76 VAL N . 26970 1 853 . 1 1 77 77 ASN H H 1 8.473 0.020 . 1 . . . . 77 ASN H . 26970 1 854 . 1 1 77 77 ASN HA H 1 4.770 0.020 . 1 . . . . 77 ASN HA . 26970 1 855 . 1 1 77 77 ASN HB2 H 1 2.689 0.020 . 2 . . . . 77 ASN HB2 . 26970 1 856 . 1 1 77 77 ASN HB3 H 1 2.597 0.020 . 2 . . . . 77 ASN HB3 . 26970 1 857 . 1 1 77 77 ASN HD21 H 1 7.501 0.020 . 2 . . . . 77 ASN HD21 . 26970 1 858 . 1 1 77 77 ASN HD22 H 1 6.784 0.020 . 2 . . . . 77 ASN HD22 . 26970 1 859 . 1 1 77 77 ASN C C 13 173.495 0.400 . 1 . . . . 77 ASN C . 26970 1 860 . 1 1 77 77 ASN CA C 13 51.603 0.400 . 1 . . . . 77 ASN CA . 26970 1 861 . 1 1 77 77 ASN CB C 13 38.969 0.400 . 1 . . . . 77 ASN CB . 26970 1 862 . 1 1 77 77 ASN N N 15 122.512 0.400 . 1 . . . . 77 ASN N . 26970 1 863 . 1 1 77 77 ASN ND2 N 15 112.406 0.400 . 1 . . . . 77 ASN ND2 . 26970 1 864 . 1 1 78 78 ILE H H 1 8.111 0.020 . 1 . . . . 78 ILE H . 26970 1 865 . 1 1 78 78 ILE HA H 1 4.531 0.020 . 1 . . . . 78 ILE HA . 26970 1 866 . 1 1 78 78 ILE HB H 1 1.768 0.020 . 1 . . . . 78 ILE HB . 26970 1 867 . 1 1 78 78 ILE HG12 H 1 0.920 0.020 . 2 . . . . 78 ILE HG12 . 26970 1 868 . 1 1 78 78 ILE HG13 H 1 1.469 0.020 . 2 . . . . 78 ILE HG13 . 26970 1 869 . 1 1 78 78 ILE HG21 H 1 0.906 0.020 . 1 . . . . 78 ILE HG21 . 26970 1 870 . 1 1 78 78 ILE HG22 H 1 0.906 0.020 . 1 . . . . 78 ILE HG22 . 26970 1 871 . 1 1 78 78 ILE HG23 H 1 0.906 0.020 . 1 . . . . 78 ILE HG23 . 26970 1 872 . 1 1 78 78 ILE HD11 H 1 0.854 0.020 . 1 . . . . 78 ILE HD11 . 26970 1 873 . 1 1 78 78 ILE HD12 H 1 0.854 0.020 . 1 . . . . 78 ILE HD12 . 26970 1 874 . 1 1 78 78 ILE HD13 H 1 0.854 0.020 . 1 . . . . 78 ILE HD13 . 26970 1 875 . 1 1 78 78 ILE CA C 13 57.271 0.400 . 1 . . . . 78 ILE CA . 26970 1 876 . 1 1 78 78 ILE CB C 13 38.937 0.400 . 1 . . . . 78 ILE CB . 26970 1 877 . 1 1 78 78 ILE CG1 C 13 25.731 0.400 . 1 . . . . 78 ILE CG1 . 26970 1 878 . 1 1 78 78 ILE CG2 C 13 17.389 0.400 . 1 . . . . 78 ILE CG2 . 26970 1 879 . 1 1 78 78 ILE CD1 C 13 12.839 0.400 . 1 . . . . 78 ILE CD1 . 26970 1 880 . 1 1 78 78 ILE N N 15 121.212 0.400 . 1 . . . . 78 ILE N . 26970 1 881 . 1 1 79 79 PRO HA H 1 4.509 0.020 . 1 . . . . 79 PRO HA . 26970 1 882 . 1 1 79 79 PRO HB2 H 1 2.031 0.020 . 2 . . . . 79 PRO HB2 . 26970 1 883 . 1 1 79 79 PRO HB3 H 1 2.008 0.020 . 2 . . . . 79 PRO HB3 . 26970 1 884 . 1 1 79 79 PRO HG2 H 1 1.926 0.020 . 2 . . . . 79 PRO HG2 . 26970 1 885 . 1 1 79 79 PRO HG3 H 1 1.428 0.020 . 2 . . . . 79 PRO HG3 . 26970 1 886 . 1 1 79 79 PRO HD2 H 1 3.719 0.020 . 2 . . . . 79 PRO HD2 . 26970 1 887 . 1 1 79 79 PRO HD3 H 1 3.461 0.020 . 2 . . . . 79 PRO HD3 . 26970 1 888 . 1 1 79 79 PRO C C 13 174.297 0.400 . 1 . . . . 79 PRO C . 26970 1 889 . 1 1 79 79 PRO CA C 13 62.854 0.400 . 1 . . . . 79 PRO CA . 26970 1 890 . 1 1 79 79 PRO CB C 13 30.320 0.400 . 1 . . . . 79 PRO CB . 26970 1 891 . 1 1 79 79 PRO CG C 13 25.816 0.400 . 1 . . . . 79 PRO CG . 26970 1 892 . 1 1 79 79 PRO CD C 13 50.079 0.400 . 1 . . . . 79 PRO CD . 26970 1 893 . 1 1 80 80 TYR H H 1 6.694 0.020 . 1 . . . . 80 TYR H . 26970 1 894 . 1 1 80 80 TYR HA H 1 4.647 0.020 . 1 . . . . 80 TYR HA . 26970 1 895 . 1 1 80 80 TYR HB2 H 1 3.006 0.020 . 2 . . . . 80 TYR HB2 . 26970 1 896 . 1 1 80 80 TYR HB3 H 1 2.535 0.020 . 2 . . . . 80 TYR HB3 . 26970 1 897 . 1 1 80 80 TYR HD1 H 1 6.934 0.020 . 1 . . . . 80 TYR HD1 . 26970 1 898 . 1 1 80 80 TYR HD2 H 1 6.934 0.020 . 1 . . . . 80 TYR HD2 . 26970 1 899 . 1 1 80 80 TYR HE1 H 1 6.834 0.020 . 1 . . . . 80 TYR HE1 . 26970 1 900 . 1 1 80 80 TYR HE2 H 1 6.834 0.020 . 1 . . . . 80 TYR HE2 . 26970 1 901 . 1 1 80 80 TYR C C 13 173.663 0.400 . 1 . . . . 80 TYR C . 26970 1 902 . 1 1 80 80 TYR CA C 13 55.014 0.400 . 1 . . . . 80 TYR CA . 26970 1 903 . 1 1 80 80 TYR CB C 13 39.981 0.400 . 1 . . . . 80 TYR CB . 26970 1 904 . 1 1 80 80 TYR CD1 C 13 132.635 0.400 . 3 . . . . 80 TYR CD1 . 26970 1 905 . 1 1 80 80 TYR CE1 C 13 118.005 0.400 . 3 . . . . 80 TYR CE1 . 26970 1 906 . 1 1 80 80 TYR N N 15 117.369 0.400 . 1 . . . . 80 TYR N . 26970 1 907 . 1 1 81 81 LYS H H 1 8.477 0.020 . 1 . . . . 81 LYS H . 26970 1 908 . 1 1 81 81 LYS HA H 1 4.376 0.020 . 1 . . . . 81 LYS HA . 26970 1 909 . 1 1 81 81 LYS HB2 H 1 1.671 0.020 . 2 . . . . 81 LYS HB2 . 26970 1 910 . 1 1 81 81 LYS HB3 H 1 1.801 0.020 . 2 . . . . 81 LYS HB3 . 26970 1 911 . 1 1 81 81 LYS HG2 H 1 1.347 0.020 . 2 . . . . 81 LYS HG2 . 26970 1 912 . 1 1 81 81 LYS HG3 H 1 1.400 0.020 . 2 . . . . 81 LYS HG3 . 26970 1 913 . 1 1 81 81 LYS HD2 H 1 1.660 0.020 . 2 . . . . 81 LYS HD2 . 26970 1 914 . 1 1 81 81 LYS HD3 H 1 1.660 0.020 . 2 . . . . 81 LYS HD3 . 26970 1 915 . 1 1 81 81 LYS HE2 H 1 2.989 0.020 . 2 . . . . 81 LYS HE2 . 26970 1 916 . 1 1 81 81 LYS HE3 H 1 2.989 0.020 . 2 . . . . 81 LYS HE3 . 26970 1 917 . 1 1 81 81 LYS C C 13 176.272 0.400 . 1 . . . . 81 LYS C . 26970 1 918 . 1 1 81 81 LYS CA C 13 54.898 0.400 . 1 . . . . 81 LYS CA . 26970 1 919 . 1 1 81 81 LYS CB C 13 32.198 0.400 . 1 . . . . 81 LYS CB . 26970 1 920 . 1 1 81 81 LYS CG C 13 23.801 0.400 . 1 . . . . 81 LYS CG . 26970 1 921 . 1 1 81 81 LYS CD C 13 28.336 0.400 . 1 . . . . 81 LYS CD . 26970 1 922 . 1 1 81 81 LYS CE C 13 41.498 0.400 . 1 . . . . 81 LYS CE . 26970 1 923 . 1 1 81 81 LYS N N 15 121.615 0.400 . 1 . . . . 81 LYS N . 26970 1 924 . 1 1 82 82 ILE H H 1 8.305 0.020 . 1 . . . . 82 ILE H . 26970 1 925 . 1 1 82 82 ILE HA H 1 4.094 0.020 . 1 . . . . 82 ILE HA . 26970 1 926 . 1 1 82 82 ILE HB H 1 1.896 0.020 . 1 . . . . 82 ILE HB . 26970 1 927 . 1 1 82 82 ILE HG12 H 1 1.519 0.020 . 2 . . . . 82 ILE HG12 . 26970 1 928 . 1 1 82 82 ILE HG13 H 1 1.188 0.020 . 2 . . . . 82 ILE HG13 . 26970 1 929 . 1 1 82 82 ILE HG21 H 1 0.863 0.020 . 1 . . . . 82 ILE HG21 . 26970 1 930 . 1 1 82 82 ILE HG22 H 1 0.863 0.020 . 1 . . . . 82 ILE HG22 . 26970 1 931 . 1 1 82 82 ILE HG23 H 1 0.863 0.020 . 1 . . . . 82 ILE HG23 . 26970 1 932 . 1 1 82 82 ILE HD11 H 1 0.882 0.020 . 1 . . . . 82 ILE HD11 . 26970 1 933 . 1 1 82 82 ILE HD12 H 1 0.882 0.020 . 1 . . . . 82 ILE HD12 . 26970 1 934 . 1 1 82 82 ILE HD13 H 1 0.882 0.020 . 1 . . . . 82 ILE HD13 . 26970 1 935 . 1 1 82 82 ILE C C 13 172.742 0.400 . 1 . . . . 82 ILE C . 26970 1 936 . 1 1 82 82 ILE CA C 13 60.841 0.400 . 1 . . . . 82 ILE CA . 26970 1 937 . 1 1 82 82 ILE CB C 13 38.041 0.400 . 1 . . . . 82 ILE CB . 26970 1 938 . 1 1 82 82 ILE CG1 C 13 26.912 0.400 . 1 . . . . 82 ILE CG1 . 26970 1 939 . 1 1 82 82 ILE CG2 C 13 16.958 0.400 . 1 . . . . 82 ILE CG2 . 26970 1 940 . 1 1 82 82 ILE CD1 C 13 11.918 0.400 . 1 . . . . 82 ILE CD1 . 26970 1 941 . 1 1 82 82 ILE N N 15 123.645 0.400 . 1 . . . . 82 ILE N . 26970 1 942 . 1 1 83 83 SER H H 1 7.497 0.020 . 1 . . . . 83 SER H . 26970 1 943 . 1 1 83 83 SER HA H 1 4.640 0.020 . 1 . . . . 83 SER HA . 26970 1 944 . 1 1 83 83 SER HB2 H 1 3.999 0.020 . 2 . . . . 83 SER HB2 . 26970 1 945 . 1 1 83 83 SER HB3 H 1 3.671 0.020 . 2 . . . . 83 SER HB3 . 26970 1 946 . 1 1 83 83 SER C C 13 174.046 0.400 . 1 . . . . 83 SER C . 26970 1 947 . 1 1 83 83 SER CA C 13 56.076 0.400 . 1 . . . . 83 SER CA . 26970 1 948 . 1 1 83 83 SER CB C 13 64.066 0.400 . 1 . . . . 83 SER CB . 26970 1 949 . 1 1 83 83 SER N N 15 118.784 0.400 . 1 . . . . 83 SER N . 26970 1 950 . 1 1 84 84 THR H H 1 8.343 0.020 . 1 . . . . 84 THR H . 26970 1 951 . 1 1 84 84 THR HA H 1 4.246 0.020 . 1 . . . . 84 THR HA . 26970 1 952 . 1 1 84 84 THR HB H 1 4.383 0.020 . 1 . . . . 84 THR HB . 26970 1 953 . 1 1 84 84 THR HG1 H 1 4.760 0.020 . 1 . . . . 84 THR HG1 . 26970 1 954 . 1 1 84 84 THR HG21 H 1 1.261 0.020 . 1 . . . . 84 THR HG21 . 26970 1 955 . 1 1 84 84 THR HG22 H 1 1.261 0.020 . 1 . . . . 84 THR HG22 . 26970 1 956 . 1 1 84 84 THR HG23 H 1 1.261 0.020 . 1 . . . . 84 THR HG23 . 26970 1 957 . 1 1 84 84 THR C C 13 174.692 0.400 . 1 . . . . 84 THR C . 26970 1 958 . 1 1 84 84 THR CA C 13 63.853 0.400 . 1 . . . . 84 THR CA . 26970 1 959 . 1 1 84 84 THR CB C 13 68.180 0.400 . 1 . . . . 84 THR CB . 26970 1 960 . 1 1 84 84 THR CG2 C 13 21.898 0.400 . 1 . . . . 84 THR CG2 . 26970 1 961 . 1 1 84 84 THR N N 15 112.760 0.400 . 1 . . . . 84 THR N . 26970 1 962 . 1 1 85 85 THR H H 1 7.875 0.020 . 1 . . . . 85 THR H . 26970 1 963 . 1 1 85 85 THR HA H 1 4.418 0.020 . 1 . . . . 85 THR HA . 26970 1 964 . 1 1 85 85 THR HB H 1 4.427 0.020 . 1 . . . . 85 THR HB . 26970 1 965 . 1 1 85 85 THR HG1 H 1 5.012 0.020 . 1 . . . . 85 THR HG1 . 26970 1 966 . 1 1 85 85 THR HG21 H 1 1.163 0.020 . 1 . . . . 85 THR HG21 . 26970 1 967 . 1 1 85 85 THR HG22 H 1 1.163 0.020 . 1 . . . . 85 THR HG22 . 26970 1 968 . 1 1 85 85 THR HG23 H 1 1.163 0.020 . 1 . . . . 85 THR HG23 . 26970 1 969 . 1 1 85 85 THR C C 13 174.704 0.400 . 1 . . . . 85 THR C . 26970 1 970 . 1 1 85 85 THR CA C 13 60.798 0.400 . 1 . . . . 85 THR CA . 26970 1 971 . 1 1 85 85 THR CB C 13 68.516 0.400 . 1 . . . . 85 THR CB . 26970 1 972 . 1 1 85 85 THR CG2 C 13 20.917 0.400 . 1 . . . . 85 THR CG2 . 26970 1 973 . 1 1 85 85 THR N N 15 109.513 0.400 . 1 . . . . 85 THR N . 26970 1 974 . 1 1 86 86 THR H H 1 7.479 0.020 . 1 . . . . 86 THR H . 26970 1 975 . 1 1 86 86 THR HA H 1 4.009 0.020 . 1 . . . . 86 THR HA . 26970 1 976 . 1 1 86 86 THR HB H 1 4.089 0.020 . 1 . . . . 86 THR HB . 26970 1 977 . 1 1 86 86 THR HG21 H 1 1.164 0.020 . 1 . . . . 86 THR HG21 . 26970 1 978 . 1 1 86 86 THR HG22 H 1 1.164 0.020 . 1 . . . . 86 THR HG22 . 26970 1 979 . 1 1 86 86 THR HG23 H 1 1.164 0.020 . 1 . . . . 86 THR HG23 . 26970 1 980 . 1 1 86 86 THR C C 13 172.000 0.400 . 1 . . . . 86 THR C . 26970 1 981 . 1 1 86 86 THR CA C 13 63.262 0.400 . 1 . . . . 86 THR CA . 26970 1 982 . 1 1 86 86 THR CB C 13 69.321 0.400 . 1 . . . . 86 THR CB . 26970 1 983 . 1 1 86 86 THR CG2 C 13 21.219 0.400 . 1 . . . . 86 THR CG2 . 26970 1 984 . 1 1 86 86 THR N N 15 120.261 0.400 . 1 . . . . 86 THR N . 26970 1 985 . 1 1 87 87 ASN H H 1 8.762 0.020 . 1 . . . . 87 ASN H . 26970 1 986 . 1 1 87 87 ASN HA H 1 4.795 0.020 . 1 . . . . 87 ASN HA . 26970 1 987 . 1 1 87 87 ASN HB2 H 1 3.080 0.020 . 2 . . . . 87 ASN HB2 . 26970 1 988 . 1 1 87 87 ASN HB3 H 1 2.780 0.020 . 2 . . . . 87 ASN HB3 . 26970 1 989 . 1 1 87 87 ASN HD21 H 1 7.636 0.020 . 2 . . . . 87 ASN HD21 . 26970 1 990 . 1 1 87 87 ASN HD22 H 1 7.096 0.020 . 2 . . . . 87 ASN HD22 . 26970 1 991 . 1 1 87 87 ASN C C 13 175.972 0.400 . 1 . . . . 87 ASN C . 26970 1 992 . 1 1 87 87 ASN CA C 13 51.327 0.400 . 1 . . . . 87 ASN CA . 26970 1 993 . 1 1 87 87 ASN CB C 13 38.290 0.400 . 1 . . . . 87 ASN CB . 26970 1 994 . 1 1 87 87 ASN N N 15 125.083 0.400 . 1 . . . . 87 ASN N . 26970 1 995 . 1 1 87 87 ASN ND2 N 15 112.091 0.400 . 1 . . . . 87 ASN ND2 . 26970 1 996 . 1 1 88 88 CYS H H 1 9.000 0.020 . 1 . . . . 88 CYS H . 26970 1 997 . 1 1 88 88 CYS HA H 1 4.421 0.020 . 1 . . . . 88 CYS HA . 26970 1 998 . 1 1 88 88 CYS HB2 H 1 3.196 0.020 . 2 . . . . 88 CYS HB2 . 26970 1 999 . 1 1 88 88 CYS HB3 H 1 2.912 0.020 . 2 . . . . 88 CYS HB3 . 26970 1 1000 . 1 1 88 88 CYS C C 13 174.764 0.400 . 1 . . . . 88 CYS C . 26970 1 1001 . 1 1 88 88 CYS CA C 13 55.612 0.400 . 1 . . . . 88 CYS CA . 26970 1 1002 . 1 1 88 88 CYS CB C 13 35.556 0.400 . 1 . . . . 88 CYS CB . 26970 1 1003 . 1 1 88 88 CYS N N 15 123.609 0.400 . 1 . . . . 88 CYS N . 26970 1 1004 . 1 1 89 89 ASN H H 1 8.476 0.020 . 1 . . . . 89 ASN H . 26970 1 1005 . 1 1 89 89 ASN HA H 1 4.635 0.020 . 1 . . . . 89 ASN HA . 26970 1 1006 . 1 1 89 89 ASN HB2 H 1 2.859 0.020 . 2 . . . . 89 ASN HB2 . 26970 1 1007 . 1 1 89 89 ASN HB3 H 1 2.859 0.020 . 2 . . . . 89 ASN HB3 . 26970 1 1008 . 1 1 89 89 ASN HD21 H 1 7.586 0.020 . 2 . . . . 89 ASN HD21 . 26970 1 1009 . 1 1 89 89 ASN HD22 H 1 6.961 0.020 . 2 . . . . 89 ASN HD22 . 26970 1 1010 . 1 1 89 89 ASN C C 13 175.314 0.400 . 1 . . . . 89 ASN C . 26970 1 1011 . 1 1 89 89 ASN CA C 13 53.796 0.400 . 1 . . . . 89 ASN CA . 26970 1 1012 . 1 1 89 89 ASN CB C 13 37.743 0.400 . 1 . . . . 89 ASN CB . 26970 1 1013 . 1 1 89 89 ASN N N 15 114.872 0.400 . 1 . . . . 89 ASN N . 26970 1 1014 . 1 1 89 89 ASN ND2 N 15 112.914 0.400 . 1 . . . . 89 ASN ND2 . 26970 1 1015 . 1 1 90 90 THR H H 1 7.683 0.020 . 1 . . . . 90 THR H . 26970 1 1016 . 1 1 90 90 THR HA H 1 4.398 0.020 . 1 . . . . 90 THR HA . 26970 1 1017 . 1 1 90 90 THR HB H 1 4.414 0.020 . 1 . . . . 90 THR HB . 26970 1 1018 . 1 1 90 90 THR HG21 H 1 1.128 0.020 . 1 . . . . 90 THR HG21 . 26970 1 1019 . 1 1 90 90 THR HG22 H 1 1.128 0.020 . 1 . . . . 90 THR HG22 . 26970 1 1020 . 1 1 90 90 THR HG23 H 1 1.128 0.020 . 1 . . . . 90 THR HG23 . 26970 1 1021 . 1 1 90 90 THR C C 13 173.699 0.400 . 1 . . . . 90 THR C . 26970 1 1022 . 1 1 90 90 THR CA C 13 60.717 0.400 . 1 . . . . 90 THR CA . 26970 1 1023 . 1 1 90 90 THR CB C 13 68.913 0.400 . 1 . . . . 90 THR CB . 26970 1 1024 . 1 1 90 90 THR CG2 C 13 21.105 0.400 . 1 . . . . 90 THR CG2 . 26970 1 1025 . 1 1 90 90 THR N N 15 109.089 0.400 . 1 . . . . 90 THR N . 26970 1 1026 . 1 1 91 91 VAL H H 1 7.206 0.020 . 1 . . . . 91 VAL H . 26970 1 1027 . 1 1 91 91 VAL HA H 1 3.903 0.020 . 1 . . . . 91 VAL HA . 26970 1 1028 . 1 1 91 91 VAL HB H 1 1.837 0.020 . 1 . . . . 91 VAL HB . 26970 1 1029 . 1 1 91 91 VAL HG11 H 1 0.389 0.020 . 2 . . . . 91 VAL HG11 . 26970 1 1030 . 1 1 91 91 VAL HG12 H 1 0.389 0.020 . 2 . . . . 91 VAL HG12 . 26970 1 1031 . 1 1 91 91 VAL HG13 H 1 0.389 0.020 . 2 . . . . 91 VAL HG13 . 26970 1 1032 . 1 1 91 91 VAL HG21 H 1 0.762 0.020 . 2 . . . . 91 VAL HG21 . 26970 1 1033 . 1 1 91 91 VAL HG22 H 1 0.762 0.020 . 2 . . . . 91 VAL HG22 . 26970 1 1034 . 1 1 91 91 VAL HG23 H 1 0.762 0.020 . 2 . . . . 91 VAL HG23 . 26970 1 1035 . 1 1 91 91 VAL C C 13 173.699 0.400 . 1 . . . . 91 VAL C . 26970 1 1036 . 1 1 91 91 VAL CA C 13 61.939 0.400 . 1 . . . . 91 VAL CA . 26970 1 1037 . 1 1 91 91 VAL CB C 13 31.167 0.400 . 1 . . . . 91 VAL CB . 26970 1 1038 . 1 1 91 91 VAL CG1 C 13 20.497 0.400 . 2 . . . . 91 VAL CG1 . 26970 1 1039 . 1 1 91 91 VAL CG2 C 13 20.729 0.400 . 2 . . . . 91 VAL CG2 . 26970 1 1040 . 1 1 91 91 VAL N N 15 122.702 0.400 . 1 . . . . 91 VAL N . 26970 1 1041 . 1 1 92 92 LYS H H 1 8.001 0.020 . 1 . . . . 92 LYS H . 26970 1 1042 . 1 1 92 92 LYS HA H 1 4.429 0.020 . 1 . . . . 92 LYS HA . 26970 1 1043 . 1 1 92 92 LYS HB2 H 1 1.822 0.020 . 2 . . . . 92 LYS HB2 . 26970 1 1044 . 1 1 92 92 LYS HB3 H 1 1.707 0.020 . 2 . . . . 92 LYS HB3 . 26970 1 1045 . 1 1 92 92 LYS HG2 H 1 1.370 0.020 . 2 . . . . 92 LYS HG2 . 26970 1 1046 . 1 1 92 92 LYS HG3 H 1 1.370 0.020 . 2 . . . . 92 LYS HG3 . 26970 1 1047 . 1 1 92 92 LYS HD2 H 1 1.662 0.020 . 2 . . . . 92 LYS HD2 . 26970 1 1048 . 1 1 92 92 LYS HD3 H 1 1.662 0.020 . 2 . . . . 92 LYS HD3 . 26970 1 1049 . 1 1 92 92 LYS HE2 H 1 2.982 0.020 . 2 . . . . 92 LYS HE2 . 26970 1 1050 . 1 1 92 92 LYS HE3 H 1 2.982 0.020 . 2 . . . . 92 LYS HE3 . 26970 1 1051 . 1 1 92 92 LYS HZ1 H 1 7.892 0.020 . 1 . . . . 92 LYS HZ1 . 26970 1 1052 . 1 1 92 92 LYS HZ2 H 1 7.892 0.020 . 1 . . . . 92 LYS HZ2 . 26970 1 1053 . 1 1 92 92 LYS HZ3 H 1 7.892 0.020 . 1 . . . . 92 LYS HZ3 . 26970 1 1054 . 1 1 92 92 LYS C C 13 174.525 0.400 . 1 . . . . 92 LYS C . 26970 1 1055 . 1 1 92 92 LYS CA C 13 54.736 0.400 . 1 . . . . 92 LYS CA . 26970 1 1056 . 1 1 92 92 LYS CB C 13 32.933 0.400 . 1 . . . . 92 LYS CB . 26970 1 1057 . 1 1 92 92 LYS CG C 13 24.246 0.400 . 1 . . . . 92 LYS CG . 26970 1 1058 . 1 1 92 92 LYS CD C 13 28.512 0.400 . 1 . . . . 92 LYS CD . 26970 1 1059 . 1 1 92 92 LYS CE C 13 41.519 0.400 . 1 . . . . 92 LYS CE . 26970 1 1060 . 1 1 92 92 LYS N N 15 124.971 0.400 . 1 . . . . 92 LYS N . 26970 1 1061 . 1 1 93 93 PHE H H 1 7.866 0.020 . 1 . . . . 93 PHE H . 26970 1 1062 . 1 1 93 93 PHE HA H 1 4.378 0.020 . 1 . . . . 93 PHE HA . 26970 1 1063 . 1 1 93 93 PHE HB2 H 1 3.178 0.020 . 2 . . . . 93 PHE HB2 . 26970 1 1064 . 1 1 93 93 PHE HB3 H 1 2.838 0.020 . 2 . . . . 93 PHE HB3 . 26970 1 1065 . 1 1 93 93 PHE HD1 H 1 7.145 0.020 . 1 . . . . 93 PHE HD1 . 26970 1 1066 . 1 1 93 93 PHE HD2 H 1 7.145 0.020 . 1 . . . . 93 PHE HD2 . 26970 1 1067 . 1 1 93 93 PHE HE1 H 1 7.175 0.020 . 1 . . . . 93 PHE HE1 . 26970 1 1068 . 1 1 93 93 PHE HE2 H 1 7.175 0.020 . 1 . . . . 93 PHE HE2 . 26970 1 1069 . 1 1 93 93 PHE HZ H 1 7.070 0.020 . 1 . . . . 93 PHE HZ . 26970 1 1070 . 1 1 93 93 PHE CA C 13 59.051 0.400 . 1 . . . . 93 PHE CA . 26970 1 1071 . 1 1 93 93 PHE CB C 13 40.067 0.400 . 1 . . . . 93 PHE CB . 26970 1 1072 . 1 1 93 93 PHE CD1 C 13 132.726 0.400 . 3 . . . . 93 PHE CD1 . 26970 1 1073 . 1 1 93 93 PHE CE1 C 13 130.688 0.400 . 3 . . . . 93 PHE CE1 . 26970 1 1074 . 1 1 93 93 PHE CZ C 13 131.144 0.400 . 1 . . . . 93 PHE CZ . 26970 1 1075 . 1 1 93 93 PHE N N 15 128.182 0.400 . 1 . . . . 93 PHE N . 26970 1 stop_ save_