data_53250 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53250 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for sMyBP-C wild-type M-domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-06-30 _Entry.Accession_date 2025-06-30 _Entry.Last_release_date 2025-07-01 _Entry.Original_release_date 2025-07-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Aishwarya Iyer . . . . 53250 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53250 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 53250 '15N chemical shifts' 93 53250 '1H chemical shifts' 370 53250 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 . . 2026-05-04 . original BMRB . 53250 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53288 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for sMyBP-C LKR-mutant M-domain' 53250 BMRB 53289 'Titration of sMyBP-C wild-type M-domain with NaCl' 53250 BMRB 53291 '15N Chemical Shift Assignments for sMyBP-C wild-type M-domain upon myosin S2delta titration' 53250 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53250 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and biochemical alterations in the MYBPC1 M-domain underlie Myotrem pathogenicity ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev PNAS _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Aishwarya Iyer . . . . 53250 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53250 _Assembly.ID 1 _Assembly.Name 'sMyBP-C wild-type M-domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 M-domain 1 $entity_1 . . yes native no no . . . 53250 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53250 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MHHHHHHESTGTTPNIDIRS AFKRSGEGQEDAGELDFSGL LKRREVKQQEEEPQVDVWEL LKNAKPSEYEKIAFQYGITD LRGMLKRLKRMRREEKKSAA FAK ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UniProt Q00872-4 . . . . . . . . . . . . . . . . 53250 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 . MET . 53250 1 2 . HIS . 53250 1 3 . HIS . 53250 1 4 . HIS . 53250 1 5 . HIS . 53250 1 6 . HIS . 53250 1 7 . HIS . 53250 1 8 . GLU . 53250 1 9 . SER . 53250 1 10 . THR . 53250 1 11 . GLY . 53250 1 12 . THR . 53250 1 13 . THR . 53250 1 14 . PRO . 53250 1 15 . ASN . 53250 1 16 . ILE . 53250 1 17 . ASP . 53250 1 18 . ILE . 53250 1 19 . ARG . 53250 1 20 . SER . 53250 1 21 . ALA . 53250 1 22 . PHE . 53250 1 23 . LYS . 53250 1 24 . ARG . 53250 1 25 . SER . 53250 1 26 . GLY . 53250 1 27 . GLU . 53250 1 28 . GLY . 53250 1 29 . GLN . 53250 1 30 . GLU . 53250 1 31 . ASP . 53250 1 32 . ALA . 53250 1 33 . GLY . 53250 1 34 . GLU . 53250 1 35 . LEU . 53250 1 36 . ASP . 53250 1 37 . PHE . 53250 1 38 . SER . 53250 1 39 . GLY . 53250 1 40 . LEU . 53250 1 41 . LEU . 53250 1 42 . LYS . 53250 1 43 . ARG . 53250 1 44 . ARG . 53250 1 45 . GLU . 53250 1 46 . VAL . 53250 1 47 . LYS . 53250 1 48 . GLN . 53250 1 49 . GLN . 53250 1 50 . GLU . 53250 1 51 . GLU . 53250 1 52 . GLU . 53250 1 53 . PRO . 53250 1 54 . GLN . 53250 1 55 . VAL . 53250 1 56 . ASP . 53250 1 57 . VAL . 53250 1 58 . TRP . 53250 1 59 . GLU . 53250 1 60 . LEU . 53250 1 61 . LEU . 53250 1 62 . LYS . 53250 1 63 . ASN . 53250 1 64 . ALA . 53250 1 65 . LYS . 53250 1 66 . PRO . 53250 1 67 . SER . 53250 1 68 . GLU . 53250 1 69 . TYR . 53250 1 70 . GLU . 53250 1 71 . LYS . 53250 1 72 . ILE . 53250 1 73 . ALA . 53250 1 74 . PHE . 53250 1 75 . GLN . 53250 1 76 . TYR . 53250 1 77 . GLY . 53250 1 78 . ILE . 53250 1 79 . THR . 53250 1 80 . ASP . 53250 1 81 . LEU . 53250 1 82 . ARG . 53250 1 83 . GLY . 53250 1 84 . MET . 53250 1 85 . LEU . 53250 1 86 . LYS . 53250 1 87 . ARG . 53250 1 88 . LEU . 53250 1 89 . LYS . 53250 1 90 . ARG . 53250 1 91 . MET . 53250 1 92 . ARG . 53250 1 93 . ARG . 53250 1 94 . GLU . 53250 1 95 . GLU . 53250 1 96 . LYS . 53250 1 97 . LYS . 53250 1 98 . SER . 53250 1 99 . ALA . 53250 1 100 . ALA . 53250 1 101 . PHE . 53250 1 102 . ALA . 53250 1 103 . LYS . 53250 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53250 1 . HIS 2 2 53250 1 . HIS 3 3 53250 1 . HIS 4 4 53250 1 . HIS 5 5 53250 1 . HIS 6 6 53250 1 . HIS 7 7 53250 1 . GLU 8 8 53250 1 . SER 9 9 53250 1 . THR 10 10 53250 1 . GLY 11 11 53250 1 . THR 12 12 53250 1 . THR 13 13 53250 1 . PRO 14 14 53250 1 . ASN 15 15 53250 1 . ILE 16 16 53250 1 . ASP 17 17 53250 1 . ILE 18 18 53250 1 . ARG 19 19 53250 1 . SER 20 20 53250 1 . ALA 21 21 53250 1 . PHE 22 22 53250 1 . LYS 23 23 53250 1 . ARG 24 24 53250 1 . SER 25 25 53250 1 . GLY 26 26 53250 1 . GLU 27 27 53250 1 . GLY 28 28 53250 1 . GLN 29 29 53250 1 . GLU 30 30 53250 1 . ASP 31 31 53250 1 . ALA 32 32 53250 1 . GLY 33 33 53250 1 . GLU 34 34 53250 1 . LEU 35 35 53250 1 . ASP 36 36 53250 1 . PHE 37 37 53250 1 . SER 38 38 53250 1 . GLY 39 39 53250 1 . LEU 40 40 53250 1 . LEU 41 41 53250 1 . LYS 42 42 53250 1 . ARG 43 43 53250 1 . ARG 44 44 53250 1 . GLU 45 45 53250 1 . VAL 46 46 53250 1 . LYS 47 47 53250 1 . GLN 48 48 53250 1 . GLN 49 49 53250 1 . GLU 50 50 53250 1 . GLU 51 51 53250 1 . GLU 52 52 53250 1 . PRO 53 53 53250 1 . GLN 54 54 53250 1 . VAL 55 55 53250 1 . ASP 56 56 53250 1 . VAL 57 57 53250 1 . TRP 58 58 53250 1 . GLU 59 59 53250 1 . LEU 60 60 53250 1 . LEU 61 61 53250 1 . LYS 62 62 53250 1 . ASN 63 63 53250 1 . ALA 64 64 53250 1 . LYS 65 65 53250 1 . PRO 66 66 53250 1 . SER 67 67 53250 1 . GLU 68 68 53250 1 . TYR 69 69 53250 1 . GLU 70 70 53250 1 . LYS 71 71 53250 1 . ILE 72 72 53250 1 . ALA 73 73 53250 1 . PHE 74 74 53250 1 . GLN 75 75 53250 1 . TYR 76 76 53250 1 . GLY 77 77 53250 1 . ILE 78 78 53250 1 . THR 79 79 53250 1 . ASP 80 80 53250 1 . LEU 81 81 53250 1 . ARG 82 82 53250 1 . GLY 83 83 53250 1 . MET 84 84 53250 1 . LEU 85 85 53250 1 . LYS 86 86 53250 1 . ARG 87 87 53250 1 . LEU 88 88 53250 1 . LYS 89 89 53250 1 . ARG 90 90 53250 1 . MET 91 91 53250 1 . ARG 92 92 53250 1 . ARG 93 93 53250 1 . GLU 94 94 53250 1 . GLU 95 95 53250 1 . LYS 96 96 53250 1 . LYS 97 97 53250 1 . SER 98 98 53250 1 . ALA 99 99 53250 1 . ALA 100 100 53250 1 . PHE 101 101 53250 1 . ALA 102 102 53250 1 . LYS 103 103 53250 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53250 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53250 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53250 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pet-11a . . . 53250 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53250 _Sample.ID 1 _Sample.Name '15N 13C sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sMyBP-C wild-type M-domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 53250 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 53250 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 53250 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53250 1 5 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 53250 1 6 NaN3 'natural abundance' . . . . . . 0.01 . . % . . . . 53250 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 53250 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'low salt conditions' _Sample_condition_list.Details '20 mM HEPES pH 7.0, 50 mM NaCl, 1 mM TCEP, 1 mM EGTA, 0.01% NaN3, and 10% D2O' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 53250 1 pH 7.0 . pH 53250 1 pressure 1 . atm 53250 1 temperature 298 . K 53250 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53250 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53250 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53250 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 3.0.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53250 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53250 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53250 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53250 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53250 1 3 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53250 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53250 1 5 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53250 1 6 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53250 1 7 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53250 1 8 '3D H(CCO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53250 1 9 '3D C(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53250 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53250 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name TSP _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 TSP 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 53250 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 53250 1 N 15 TSP 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 53250 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53250 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'sMyBP-C wild-type M-domain backbone' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53250 1 2 '3D HNCA' . . . 53250 1 3 '3D HN(CO)CA' . . . 53250 1 4 '3D HNCACB' . . . 53250 1 5 '3D CBCA(CO)NH' . . . 53250 1 6 '3D HNCO' . . . 53250 1 7 '3D HN(CA)CO' . . . 53250 1 8 '3D H(CCO)NH' . . . 53250 1 9 '3D C(CO)NH' . . . 53250 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53250 1 2 $software_2 . . 53250 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 8 8 GLU H H 1 8.386 0.005 . 1 . . . . . 8 GLU H . 53250 1 2 . 1 . 1 8 8 GLU HA H 1 4.221 0.005 . 1 . . . . . 8 GLU HA . 53250 1 3 . 1 . 1 8 8 GLU HB2 H 1 1.945 0.005 . 2 . . . . . 8 GLU HB2 . 53250 1 4 . 1 . 1 8 8 GLU HB3 H 1 1.856 0.005 . 2 . . . . . 8 GLU HB3 . 53250 1 5 . 1 . 1 8 8 GLU HG2 H 1 2.147 0.005 . 2 . . . . . 8 GLU HG2 . 53250 1 6 . 1 . 1 8 8 GLU HG3 H 1 2.141 0.005 . 2 . . . . . 8 GLU HG3 . 53250 1 7 . 1 . 1 8 8 GLU C C 13 176.341 0.100 . 1 . . . . . 8 GLU C . 53250 1 8 . 1 . 1 8 8 GLU CA C 13 56.402 0.100 . 1 . . . . . 8 GLU CA . 53250 1 9 . 1 . 1 8 8 GLU CB C 13 30.333 0.100 . 1 . . . . . 8 GLU CB . 53250 1 10 . 1 . 1 8 8 GLU CG C 13 36.076 0.100 . 1 . . . . . 8 GLU CG . 53250 1 11 . 1 . 1 8 8 GLU N N 15 123.392 0.010 . 1 . . . . . 8 GLU N . 53250 1 12 . 1 . 1 9 9 SER H H 1 8.413 0.005 . 1 . . . . . 9 SER H . 53250 1 13 . 1 . 1 9 9 SER HA H 1 4.456 0.005 . 1 . . . . . 9 SER HA . 53250 1 14 . 1 . 1 9 9 SER HB2 H 1 3.821 0.005 . 2 . . . . . 9 SER HB2 . 53250 1 15 . 1 . 1 9 9 SER HB3 H 1 3.810 0.005 . 2 . . . . . 9 SER HB3 . 53250 1 16 . 1 . 1 9 9 SER C C 13 174.856 0.100 . 1 . . . . . 9 SER C . 53250 1 17 . 1 . 1 9 9 SER CA C 13 58.306 0.100 . 1 . . . . . 9 SER CA . 53250 1 18 . 1 . 1 9 9 SER CB C 13 63.731 0.100 . 1 . . . . . 9 SER CB . 53250 1 19 . 1 . 1 9 9 SER N N 15 117.934 0.010 . 1 . . . . . 9 SER N . 53250 1 20 . 1 . 1 10 10 THR H H 1 8.162 0.005 . 1 . . . . . 10 THR H . 53250 1 21 . 1 . 1 10 10 THR HA H 1 4.289 0.005 . 1 . . . . . 10 THR HA . 53250 1 22 . 1 . 1 10 10 THR HB H 1 4.230 0.005 . 1 . . . . . 10 THR HB . 53250 1 23 . 1 . 1 10 10 THR C C 13 175.088 0.100 . 1 . . . . . 10 THR C . 53250 1 24 . 1 . 1 10 10 THR CA C 13 61.986 0.100 . 1 . . . . . 10 THR CA . 53250 1 25 . 1 . 1 10 10 THR CB C 13 69.686 0.100 . 1 . . . . . 10 THR CB . 53250 1 26 . 1 . 1 10 10 THR CG2 C 13 21.468 0.100 . 1 . . . . . 10 THR CG2 . 53250 1 27 . 1 . 1 10 10 THR N N 15 116.320 0.010 . 1 . . . . . 10 THR N . 53250 1 28 . 1 . 1 11 11 GLY H H 1 8.343 0.005 . 1 . . . . . 11 GLY H . 53250 1 29 . 1 . 1 11 11 GLY HA2 H 1 3.958 0.005 . 2 . . . . . 11 GLY HA2 . 53250 1 30 . 1 . 1 11 11 GLY HA3 H 1 3.951 0.005 . 2 . . . . . 11 GLY HA3 . 53250 1 31 . 1 . 1 11 11 GLY C C 13 174.159 0.100 . 1 . . . . . 11 GLY C . 53250 1 32 . 1 . 1 11 11 GLY CA C 13 45.305 0.100 . 1 . . . . . 11 GLY CA . 53250 1 33 . 1 . 1 11 11 GLY N N 15 111.844 0.010 . 1 . . . . . 11 GLY N . 53250 1 34 . 1 . 1 12 12 THR H H 1 8.011 0.005 . 1 . . . . . 12 THR H . 53250 1 35 . 1 . 1 12 12 THR HA H 1 4.327 0.005 . 1 . . . . . 12 THR HA . 53250 1 36 . 1 . 1 12 12 THR HB H 1 4.136 0.005 . 1 . . . . . 12 THR HB . 53250 1 37 . 1 . 1 12 12 THR C C 13 174.484 0.100 . 1 . . . . . 12 THR C . 53250 1 38 . 1 . 1 12 12 THR CA C 13 61.590 0.100 . 1 . . . . . 12 THR CA . 53250 1 39 . 1 . 1 12 12 THR CB C 13 69.902 0.100 . 1 . . . . . 12 THR CB . 53250 1 40 . 1 . 1 12 12 THR CG2 C 13 21.504 0.100 . 1 . . . . . 12 THR CG2 . 53250 1 41 . 1 . 1 12 12 THR N N 15 114.222 0.010 . 1 . . . . . 12 THR N . 53250 1 42 . 1 . 1 13 13 THR H H 1 8.176 0.005 . 1 . . . . . 13 THR H . 53250 1 43 . 1 . 1 13 13 THR C C 13 172.701 0.100 . 1 . . . . . 13 THR C . 53250 1 44 . 1 . 1 13 13 THR CA C 13 59.726 0.100 . 1 . . . . . 13 THR CA . 53250 1 45 . 1 . 1 13 13 THR CB C 13 69.676 0.100 . 1 . . . . . 13 THR CB . 53250 1 46 . 1 . 1 13 13 THR N N 15 119.827 0.010 . 1 . . . . . 13 THR N . 53250 1 47 . 1 . 1 14 14 PRO HA H 1 4.327 0.005 . 1 . . . . . 14 PRO HA . 53250 1 48 . 1 . 1 14 14 PRO HB2 H 1 2.199 0.005 . 2 . . . . . 14 PRO HB2 . 53250 1 49 . 1 . 1 14 14 PRO HB3 H 1 2.183 0.005 . 2 . . . . . 14 PRO HB3 . 53250 1 50 . 1 . 1 14 14 PRO HG2 H 1 1.874 0.005 . 2 . . . . . 14 PRO HG2 . 53250 1 51 . 1 . 1 14 14 PRO HG3 H 1 1.822 0.005 . 2 . . . . . 14 PRO HG3 . 53250 1 52 . 1 . 1 14 14 PRO HD2 H 1 3.725 0.005 . 2 . . . . . 14 PRO HD2 . 53250 1 53 . 1 . 1 14 14 PRO HD3 H 1 3.669 0.005 . 2 . . . . . 14 PRO HD3 . 53250 1 54 . 1 . 1 14 14 PRO C C 13 176.356 0.100 . 1 . . . . . 14 PRO C . 53250 1 55 . 1 . 1 14 14 PRO CA C 13 63.188 0.100 . 1 . . . . . 14 PRO CA . 53250 1 56 . 1 . 1 14 14 PRO CB C 13 32.099 0.100 . 1 . . . . . 14 PRO CB . 53250 1 57 . 1 . 1 14 14 PRO CG C 13 27.224 0.100 . 1 . . . . . 14 PRO CG . 53250 1 58 . 1 . 1 14 14 PRO CD C 13 50.936 0.100 . 1 . . . . . 14 PRO CD . 53250 1 59 . 1 . 1 15 15 ASN H H 1 8.422 0.005 . 1 . . . . . 15 ASN H . 53250 1 60 . 1 . 1 15 15 ASN HA H 1 4.579 0.005 . 1 . . . . . 15 ASN HA . 53250 1 61 . 1 . 1 15 15 ASN HB2 H 1 2.713 0.005 . 2 . . . . . 15 ASN HB2 . 53250 1 62 . 1 . 1 15 15 ASN HB3 H 1 2.692 0.005 . 2 . . . . . 15 ASN HB3 . 53250 1 63 . 1 . 1 15 15 ASN C C 13 175.007 0.100 . 1 . . . . . 15 ASN C . 53250 1 64 . 1 . 1 15 15 ASN CA C 13 53.315 0.100 . 1 . . . . . 15 ASN CA . 53250 1 65 . 1 . 1 15 15 ASN CB C 13 38.659 0.100 . 1 . . . . . 15 ASN CB . 53250 1 66 . 1 . 1 15 15 ASN N N 15 119.914 0.010 . 1 . . . . . 15 ASN N . 53250 1 67 . 1 . 1 16 16 ILE H H 1 7.952 0.005 . 1 . . . . . 16 ILE H . 53250 1 68 . 1 . 1 16 16 ILE HA H 1 4.083 0.005 . 1 . . . . . 16 ILE HA . 53250 1 69 . 1 . 1 16 16 ILE HB H 1 1.773 0.005 . 1 . . . . . 16 ILE HB . 53250 1 70 . 1 . 1 16 16 ILE HG12 H 1 1.325 0.005 . 2 . . . . . 16 ILE HG12 . 53250 1 71 . 1 . 1 16 16 ILE HG13 H 1 1.071 0.005 . 2 . . . . . 16 ILE HG13 . 53250 1 72 . 1 . 1 16 16 ILE C C 13 175.416 0.100 . 1 . . . . . 16 ILE C . 53250 1 73 . 1 . 1 16 16 ILE CA C 13 61.036 0.100 . 1 . . . . . 16 ILE CA . 53250 1 74 . 1 . 1 16 16 ILE CB C 13 38.948 0.100 . 1 . . . . . 16 ILE CB . 53250 1 75 . 1 . 1 16 16 ILE CG1 C 13 27.117 0.100 . 1 . . . . . 16 ILE CG1 . 53250 1 76 . 1 . 1 16 16 ILE CG2 C 13 17.430 0.100 . 1 . . . . . 16 ILE CG2 . 53250 1 77 . 1 . 1 16 16 ILE CD1 C 13 13.029 0.100 . 1 . . . . . 16 ILE CD1 . 53250 1 78 . 1 . 1 16 16 ILE N N 15 121.445 0.010 . 1 . . . . . 16 ILE N . 53250 1 79 . 1 . 1 17 17 ASP H H 1 8.310 0.005 . 1 . . . . . 17 ASP H . 53250 1 80 . 1 . 1 17 17 ASP HA H 1 4.579 0.005 . 1 . . . . . 17 ASP HA . 53250 1 81 . 1 . 1 17 17 ASP HB2 H 1 2.682 0.005 . 2 . . . . . 17 ASP HB2 . 53250 1 82 . 1 . 1 17 17 ASP HB3 H 1 2.515 0.005 . 2 . . . . . 17 ASP HB3 . 53250 1 83 . 1 . 1 17 17 ASP C C 13 176.493 0.100 . 1 . . . . . 17 ASP C . 53250 1 84 . 1 . 1 17 17 ASP CA C 13 53.950 0.100 . 1 . . . . . 17 ASP CA . 53250 1 85 . 1 . 1 17 17 ASP CB C 13 41.145 0.100 . 1 . . . . . 17 ASP CB . 53250 1 86 . 1 . 1 17 17 ASP N N 15 125.230 0.010 . 1 . . . . . 17 ASP N . 53250 1 87 . 1 . 1 18 18 ILE H H 1 8.061 0.005 . 1 . . . . . 18 ILE H . 53250 1 88 . 1 . 1 18 18 ILE HA H 1 4.053 0.005 . 1 . . . . . 18 ILE HA . 53250 1 89 . 1 . 1 18 18 ILE HB H 1 1.863 0.005 . 1 . . . . . 18 ILE HB . 53250 1 90 . 1 . 1 18 18 ILE HG12 H 1 1.353 0.005 . 2 . . . . . 18 ILE HG12 . 53250 1 91 . 1 . 1 18 18 ILE HG13 H 1 1.149 0.005 . 2 . . . . . 18 ILE HG13 . 53250 1 92 . 1 . 1 18 18 ILE C C 13 176.536 0.100 . 1 . . . . . 18 ILE C . 53250 1 93 . 1 . 1 18 18 ILE CA C 13 61.794 0.100 . 1 . . . . . 18 ILE CA . 53250 1 94 . 1 . 1 18 18 ILE CB C 13 38.294 0.100 . 1 . . . . . 18 ILE CB . 53250 1 95 . 1 . 1 18 18 ILE CG1 C 13 27.178 0.100 . 1 . . . . . 18 ILE CG1 . 53250 1 96 . 1 . 1 18 18 ILE CG2 C 13 17.637 0.100 . 1 . . . . . 18 ILE CG2 . 53250 1 97 . 1 . 1 18 18 ILE CD1 C 13 13.243 0.100 . 1 . . . . . 18 ILE CD1 . 53250 1 98 . 1 . 1 18 18 ILE N N 15 122.769 0.010 . 1 . . . . . 18 ILE N . 53250 1 99 . 1 . 1 19 19 ARG H H 1 8.256 0.005 . 1 . . . . . 19 ARG H . 53250 1 100 . 1 . 1 19 19 ARG HA H 1 4.198 0.005 . 1 . . . . . 19 ARG HA . 53250 1 101 . 1 . 1 19 19 ARG HB2 H 1 1.782 0.005 . 2 . . . . . 19 ARG HB2 . 53250 1 102 . 1 . 1 19 19 ARG HB3 H 1 1.770 0.005 . 2 . . . . . 19 ARG HB3 . 53250 1 103 . 1 . 1 19 19 ARG HG2 H 1 1.583 0.005 . 2 . . . . . 19 ARG HG2 . 53250 1 104 . 1 . 1 19 19 ARG HG3 H 1 1.569 0.005 . 2 . . . . . 19 ARG HG3 . 53250 1 105 . 1 . 1 19 19 ARG HD2 H 1 3.111 0.005 . 2 . . . . . 19 ARG HD2 . 53250 1 106 . 1 . 1 19 19 ARG HD3 H 1 3.104 0.005 . 2 . . . . . 19 ARG HD3 . 53250 1 107 . 1 . 1 19 19 ARG C C 13 176.863 0.100 . 1 . . . . . 19 ARG C . 53250 1 108 . 1 . 1 19 19 ARG CA C 13 56.693 0.100 . 1 . . . . . 19 ARG CA . 53250 1 109 . 1 . 1 19 19 ARG CB C 13 30.311 0.100 . 1 . . . . . 19 ARG CB . 53250 1 110 . 1 . 1 19 19 ARG CG C 13 27.104 0.100 . 1 . . . . . 19 ARG CG . 53250 1 111 . 1 . 1 19 19 ARG CD C 13 43.225 0.100 . 1 . . . . . 19 ARG CD . 53250 1 112 . 1 . 1 19 19 ARG N N 15 123.813 0.010 . 1 . . . . . 19 ARG N . 53250 1 113 . 1 . 1 20 20 SER H H 1 8.043 0.005 . 1 . . . . . 20 SER H . 53250 1 114 . 1 . 1 20 20 SER HA H 1 4.279 0.005 . 1 . . . . . 20 SER HA . 53250 1 115 . 1 . 1 20 20 SER HB2 H 1 3.787 0.005 . 2 . . . . . 20 SER HB2 . 53250 1 116 . 1 . 1 20 20 SER HB3 H 1 3.770 0.005 . 2 . . . . . 20 SER HB3 . 53250 1 117 . 1 . 1 20 20 SER C C 13 174.391 0.100 . 1 . . . . . 20 SER C . 53250 1 118 . 1 . 1 20 20 SER CA C 13 58.644 0.100 . 1 . . . . . 20 SER CA . 53250 1 119 . 1 . 1 20 20 SER CB C 13 63.622 0.100 . 1 . . . . . 20 SER CB . 53250 1 120 . 1 . 1 20 20 SER N N 15 116.582 0.010 . 1 . . . . . 20 SER N . 53250 1 121 . 1 . 1 21 21 ALA H H 1 8.071 0.005 . 1 . . . . . 21 ALA H . 53250 1 122 . 1 . 1 21 21 ALA HA H 1 4.142 0.005 . 1 . . . . . 21 ALA HA . 53250 1 123 . 1 . 1 21 21 ALA HB1 H 1 1.185 0.005 . 1 . . . . . 21 ALA MB . 53250 1 124 . 1 . 1 21 21 ALA HB2 H 1 1.185 0.005 . 1 . . . . . 21 ALA MB . 53250 1 125 . 1 . 1 21 21 ALA HB3 H 1 1.185 0.005 . 1 . . . . . 21 ALA MB . 53250 1 126 . 1 . 1 21 21 ALA C C 13 177.319 0.100 . 1 . . . . . 21 ALA C . 53250 1 127 . 1 . 1 21 21 ALA CA C 13 52.773 0.100 . 1 . . . . . 21 ALA CA . 53250 1 128 . 1 . 1 21 21 ALA CB C 13 18.949 0.100 . 1 . . . . . 21 ALA CB . 53250 1 129 . 1 . 1 21 21 ALA N N 15 126.052 0.010 . 1 . . . . . 21 ALA N . 53250 1 130 . 1 . 1 22 22 PHE H H 1 7.924 0.005 . 1 . . . . . 22 PHE H . 53250 1 131 . 1 . 1 22 22 PHE HA H 1 4.490 0.005 . 1 . . . . . 22 PHE HA . 53250 1 132 . 1 . 1 22 22 PHE HB2 H 1 3.011 0.005 . 2 . . . . . 22 PHE HB2 . 53250 1 133 . 1 . 1 22 22 PHE HB3 H 1 2.977 0.005 . 2 . . . . . 22 PHE HB3 . 53250 1 134 . 1 . 1 22 22 PHE C C 13 175.447 0.100 . 1 . . . . . 22 PHE C . 53250 1 135 . 1 . 1 22 22 PHE CA C 13 57.576 0.100 . 1 . . . . . 22 PHE CA . 53250 1 136 . 1 . 1 22 22 PHE CB C 13 39.391 0.100 . 1 . . . . . 22 PHE CB . 53250 1 137 . 1 . 1 22 22 PHE N N 15 119.321 0.010 . 1 . . . . . 22 PHE N . 53250 1 138 . 1 . 1 23 23 LYS H H 1 7.989 0.005 . 1 . . . . . 23 LYS H . 53250 1 139 . 1 . 1 23 23 LYS HA H 1 4.204 0.005 . 1 . . . . . 23 LYS HA . 53250 1 140 . 1 . 1 23 23 LYS HG2 H 1 1.301 0.005 . 2 . . . . . 23 LYS HG2 . 53250 1 141 . 1 . 1 23 23 LYS HG3 H 1 1.291 0.005 . 2 . . . . . 23 LYS HG3 . 53250 1 142 . 1 . 1 23 23 LYS C C 13 176.015 0.100 . 1 . . . . . 23 LYS C . 53250 1 143 . 1 . 1 23 23 LYS CA C 13 56.056 0.100 . 1 . . . . . 23 LYS CA . 53250 1 144 . 1 . 1 23 23 LYS CB C 13 33.144 0.100 . 1 . . . . . 23 LYS CB . 53250 1 145 . 1 . 1 23 23 LYS CG C 13 24.588 0.100 . 1 . . . . . 23 LYS CG . 53250 1 146 . 1 . 1 23 23 LYS CD C 13 29.065 0.100 . 1 . . . . . 23 LYS CD . 53250 1 147 . 1 . 1 23 23 LYS CE C 13 42.065 0.100 . 1 . . . . . 23 LYS CE . 53250 1 148 . 1 . 1 23 23 LYS N N 15 123.855 0.010 . 1 . . . . . 23 LYS N . 53250 1 149 . 1 . 1 24 24 ARG H H 1 8.311 0.005 . 1 . . . . . 24 ARG H . 53250 1 150 . 1 . 1 24 24 ARG HA H 1 4.259 0.005 . 1 . . . . . 24 ARG HA . 53250 1 151 . 1 . 1 24 24 ARG C C 13 176.280 0.100 . 1 . . . . . 24 ARG C . 53250 1 152 . 1 . 1 24 24 ARG CA C 13 56.007 0.100 . 1 . . . . . 24 ARG CA . 53250 1 153 . 1 . 1 24 24 ARG CB C 13 30.855 0.100 . 1 . . . . . 24 ARG CB . 53250 1 154 . 1 . 1 24 24 ARG CG C 13 27.177 0.100 . 1 . . . . . 24 ARG CG . 53250 1 155 . 1 . 1 24 24 ARG CD C 13 43.239 0.100 . 1 . . . . . 24 ARG CD . 53250 1 156 . 1 . 1 24 24 ARG N N 15 123.657 0.010 . 1 . . . . . 24 ARG N . 53250 1 157 . 1 . 1 25 25 SER H H 1 8.356 0.005 . 1 . . . . . 25 SER H . 53250 1 158 . 1 . 1 25 25 SER HA H 1 4.354 0.005 . 1 . . . . . 25 SER HA . 53250 1 159 . 1 . 1 25 25 SER HB2 H 1 3.808 0.005 . 2 . . . . . 25 SER HB2 . 53250 1 160 . 1 . 1 25 25 SER HB3 H 1 3.795 0.005 . 2 . . . . . 25 SER HB3 . 53250 1 161 . 1 . 1 25 25 SER C C 13 174.954 0.100 . 1 . . . . . 25 SER C . 53250 1 162 . 1 . 1 25 25 SER CA C 13 58.492 0.100 . 1 . . . . . 25 SER CA . 53250 1 163 . 1 . 1 25 25 SER CB C 13 63.789 0.100 . 1 . . . . . 25 SER CB . 53250 1 164 . 1 . 1 25 25 SER N N 15 118.055 0.010 . 1 . . . . . 25 SER N . 53250 1 165 . 1 . 1 26 26 GLY H H 1 8.409 0.005 . 1 . . . . . 26 GLY H . 53250 1 166 . 1 . 1 26 26 GLY HA2 H 1 3.913 0.005 . 2 . . . . . 26 GLY HA2 . 53250 1 167 . 1 . 1 26 26 GLY HA3 H 1 3.904 0.005 . 2 . . . . . 26 GLY HA3 . 53250 1 168 . 1 . 1 26 26 GLY C C 13 174.059 0.100 . 1 . . . . . 26 GLY C . 53250 1 169 . 1 . 1 26 26 GLY CA C 13 45.297 0.100 . 1 . . . . . 26 GLY CA . 53250 1 170 . 1 . 1 26 26 GLY N N 15 111.895 0.010 . 1 . . . . . 26 GLY N . 53250 1 171 . 1 . 1 27 27 GLU H H 1 8.203 0.005 . 1 . . . . . 27 GLU H . 53250 1 172 . 1 . 1 27 27 GLU HA H 1 4.240 0.005 . 1 . . . . . 27 GLU HA . 53250 1 173 . 1 . 1 27 27 GLU HB2 H 1 1.975 0.005 . 2 . . . . . 27 GLU HB2 . 53250 1 174 . 1 . 1 27 27 GLU HB3 H 1 1.875 0.005 . 2 . . . . . 27 GLU HB3 . 53250 1 175 . 1 . 1 27 27 GLU HG2 H 1 2.178 0.005 . 2 . . . . . 27 GLU HG2 . 53250 1 176 . 1 . 1 27 27 GLU HG3 H 1 2.160 0.005 . 2 . . . . . 27 GLU HG3 . 53250 1 177 . 1 . 1 27 27 GLU C C 13 177.010 0.100 . 1 . . . . . 27 GLU C . 53250 1 178 . 1 . 1 27 27 GLU CA C 13 56.612 0.100 . 1 . . . . . 27 GLU CA . 53250 1 179 . 1 . 1 27 27 GLU CB C 13 30.228 0.100 . 1 . . . . . 27 GLU CB . 53250 1 180 . 1 . 1 27 27 GLU CG C 13 36.234 0.100 . 1 . . . . . 27 GLU CG . 53250 1 181 . 1 . 1 27 27 GLU N N 15 121.195 0.010 . 1 . . . . . 27 GLU N . 53250 1 182 . 1 . 1 28 28 GLY H H 1 8.518 0.005 . 1 . . . . . 28 GLY H . 53250 1 183 . 1 . 1 28 28 GLY HA2 H 1 3.892 0.005 . 2 . . . . . 28 GLY HA2 . 53250 1 184 . 1 . 1 28 28 GLY HA3 H 1 3.883 0.005 . 2 . . . . . 28 GLY HA3 . 53250 1 185 . 1 . 1 28 28 GLY C C 13 174.124 0.100 . 1 . . . . . 28 GLY C . 53250 1 186 . 1 . 1 28 28 GLY CA C 13 45.396 0.100 . 1 . . . . . 28 GLY CA . 53250 1 187 . 1 . 1 28 28 GLY N N 15 111.187 0.010 . 1 . . . . . 28 GLY N . 53250 1 188 . 1 . 1 29 29 GLN H H 1 8.149 0.005 . 1 . . . . . 29 GLN H . 53250 1 189 . 1 . 1 29 29 GLN HA H 1 4.277 0.005 . 1 . . . . . 29 GLN HA . 53250 1 190 . 1 . 1 29 29 GLN HB2 H 1 2.054 0.005 . 2 . . . . . 29 GLN HB2 . 53250 1 191 . 1 . 1 29 29 GLN HB3 H 1 1.871 0.005 . 2 . . . . . 29 GLN HB3 . 53250 1 192 . 1 . 1 29 29 GLN HG2 H 1 2.244 0.005 . 2 . . . . . 29 GLN HG2 . 53250 1 193 . 1 . 1 29 29 GLN HG3 H 1 2.233 0.005 . 2 . . . . . 29 GLN HG3 . 53250 1 194 . 1 . 1 29 29 GLN C C 13 176.039 0.100 . 1 . . . . . 29 GLN C . 53250 1 195 . 1 . 1 29 29 GLN CA C 13 55.671 0.100 . 1 . . . . . 29 GLN CA . 53250 1 196 . 1 . 1 29 29 GLN CB C 13 29.433 0.100 . 1 . . . . . 29 GLN CB . 53250 1 197 . 1 . 1 29 29 GLN CG C 13 33.742 0.100 . 1 . . . . . 29 GLN CG . 53250 1 198 . 1 . 1 29 29 GLN N N 15 120.397 0.010 . 1 . . . . . 29 GLN N . 53250 1 199 . 1 . 1 30 30 GLU H H 1 8.563 0.005 . 1 . . . . . 30 GLU H . 53250 1 200 . 1 . 1 30 30 GLU HA H 1 4.183 0.005 . 1 . . . . . 30 GLU HA . 53250 1 201 . 1 . 1 30 30 GLU HB2 H 1 1.964 0.005 . 2 . . . . . 30 GLU HB2 . 53250 1 202 . 1 . 1 30 30 GLU HB3 H 1 1.884 0.005 . 2 . . . . . 30 GLU HB3 . 53250 1 203 . 1 . 1 30 30 GLU HG2 H 1 2.193 0.005 . 2 . . . . . 30 GLU HG2 . 53250 1 204 . 1 . 1 30 30 GLU HG3 H 1 2.179 0.005 . 2 . . . . . 30 GLU HG3 . 53250 1 205 . 1 . 1 30 30 GLU C C 13 176.169 0.100 . 1 . . . . . 30 GLU C . 53250 1 206 . 1 . 1 30 30 GLU CA C 13 56.894 0.100 . 1 . . . . . 30 GLU CA . 53250 1 207 . 1 . 1 30 30 GLU CB C 13 30.174 0.100 . 1 . . . . . 30 GLU CB . 53250 1 208 . 1 . 1 30 30 GLU CG C 13 36.214 0.100 . 1 . . . . . 30 GLU CG . 53250 1 209 . 1 . 1 30 30 GLU N N 15 122.813 0.010 . 1 . . . . . 30 GLU N . 53250 1 210 . 1 . 1 31 31 ASP H H 1 8.313 0.005 . 1 . . . . . 31 ASP H . 53250 1 211 . 1 . 1 31 31 ASP HA H 1 4.511 0.005 . 1 . . . . . 31 ASP HA . 53250 1 212 . 1 . 1 31 31 ASP HB2 H 1 2.595 0.005 . 2 . . . . . 31 ASP HB2 . 53250 1 213 . 1 . 1 31 31 ASP HB3 H 1 2.572 0.005 . 2 . . . . . 31 ASP HB3 . 53250 1 214 . 1 . 1 31 31 ASP C C 13 175.918 0.100 . 1 . . . . . 31 ASP C . 53250 1 215 . 1 . 1 31 31 ASP CA C 13 54.177 0.100 . 1 . . . . . 31 ASP CA . 53250 1 216 . 1 . 1 31 31 ASP CB C 13 41.268 0.100 . 1 . . . . . 31 ASP CB . 53250 1 217 . 1 . 1 31 31 ASP N N 15 122.186 0.010 . 1 . . . . . 31 ASP N . 53250 1 218 . 1 . 1 32 32 ALA H H 1 8.216 0.005 . 1 . . . . . 32 ALA H . 53250 1 219 . 1 . 1 32 32 ALA HA H 1 4.214 0.005 . 1 . . . . . 32 ALA HA . 53250 1 220 . 1 . 1 32 32 ALA HB1 H 1 1.320 0.005 . 1 . . . . . 32 ALA MB . 53250 1 221 . 1 . 1 32 32 ALA HB2 H 1 1.320 0.005 . 1 . . . . . 32 ALA MB . 53250 1 222 . 1 . 1 32 32 ALA HB3 H 1 1.320 0.005 . 1 . . . . . 32 ALA MB . 53250 1 223 . 1 . 1 32 32 ALA C C 13 178.130 0.100 . 1 . . . . . 32 ALA C . 53250 1 224 . 1 . 1 32 32 ALA CA C 13 52.749 0.100 . 1 . . . . . 32 ALA CA . 53250 1 225 . 1 . 1 32 32 ALA CB C 13 19.147 0.100 . 1 . . . . . 32 ALA CB . 53250 1 226 . 1 . 1 32 32 ALA N N 15 125.659 0.010 . 1 . . . . . 32 ALA N . 53250 1 227 . 1 . 1 33 33 GLY H H 1 8.328 0.005 . 1 . . . . . 33 GLY H . 53250 1 228 . 1 . 1 33 33 GLY HA2 H 1 3.865 0.005 . 2 . . . . . 33 GLY HA2 . 53250 1 229 . 1 . 1 33 33 GLY HA3 H 1 3.843 0.005 . 2 . . . . . 33 GLY HA3 . 53250 1 230 . 1 . 1 33 33 GLY C C 13 174.129 0.100 . 1 . . . . . 33 GLY C . 53250 1 231 . 1 . 1 33 33 GLY CA C 13 45.306 0.100 . 1 . . . . . 33 GLY CA . 53250 1 232 . 1 . 1 33 33 GLY N N 15 108.509 0.010 . 1 . . . . . 33 GLY N . 53250 1 233 . 1 . 1 34 34 GLU H H 1 8.169 0.005 . 1 . . . . . 34 GLU H . 53250 1 234 . 1 . 1 34 34 GLU HA H 1 4.187 0.005 . 1 . . . . . 34 GLU HA . 53250 1 235 . 1 . 1 34 34 GLU HB2 H 1 1.927 0.005 . 2 . . . . . 34 GLU HB2 . 53250 1 236 . 1 . 1 34 34 GLU HB3 H 1 1.891 0.005 . 2 . . . . . 34 GLU HB3 . 53250 1 237 . 1 . 1 34 34 GLU HG2 H 1 2.179 0.005 . 2 . . . . . 34 GLU HG2 . 53250 1 238 . 1 . 1 34 34 GLU HG3 H 1 2.164 0.005 . 2 . . . . . 34 GLU HG3 . 53250 1 239 . 1 . 1 34 34 GLU C C 13 176.443 0.100 . 1 . . . . . 34 GLU C . 53250 1 240 . 1 . 1 34 34 GLU CA C 13 56.539 0.100 . 1 . . . . . 34 GLU CA . 53250 1 241 . 1 . 1 34 34 GLU CB C 13 30.294 0.100 . 1 . . . . . 34 GLU CB . 53250 1 242 . 1 . 1 34 34 GLU CG C 13 36.180 0.100 . 1 . . . . . 34 GLU CG . 53250 1 243 . 1 . 1 34 34 GLU N N 15 121.098 0.010 . 1 . . . . . 34 GLU N . 53250 1 244 . 1 . 1 35 35 LEU H H 1 8.109 0.005 . 1 . . . . . 35 LEU H . 53250 1 245 . 1 . 1 35 35 LEU HA H 1 4.208 0.005 . 1 . . . . . 35 LEU HA . 53250 1 246 . 1 . 1 35 35 LEU C C 13 176.500 0.100 . 1 . . . . . 35 LEU C . 53250 1 247 . 1 . 1 35 35 LEU CA C 13 54.913 0.100 . 1 . . . . . 35 LEU CA . 53250 1 248 . 1 . 1 35 35 LEU CB C 13 42.477 0.100 . 1 . . . . . 35 LEU CB . 53250 1 249 . 1 . 1 35 35 LEU CG C 13 26.857 0.100 . 1 . . . . . 35 LEU CG . 53250 1 250 . 1 . 1 35 35 LEU CD1 C 13 25.060 0.100 . 2 . . . . . 35 LEU CD1 . 53250 1 251 . 1 . 1 35 35 LEU CD2 C 13 23.385 0.100 . 2 . . . . . 35 LEU CD2 . 53250 1 252 . 1 . 1 35 35 LEU N N 15 123.171 0.010 . 1 . . . . . 35 LEU N . 53250 1 253 . 1 . 1 36 36 ASP H H 1 8.105 0.005 . 1 . . . . . 36 ASP H . 53250 1 254 . 1 . 1 36 36 ASP HA H 1 4.517 0.005 . 1 . . . . . 36 ASP HA . 53250 1 255 . 1 . 1 36 36 ASP HB2 H 1 2.576 0.005 . 2 . . . . . 36 ASP HB2 . 53250 1 256 . 1 . 1 36 36 ASP HB3 H 1 2.564 0.005 . 2 . . . . . 36 ASP HB3 . 53250 1 257 . 1 . 1 36 36 ASP C C 13 176.326 0.100 . 1 . . . . . 36 ASP C . 53250 1 258 . 1 . 1 36 36 ASP CA C 13 53.530 0.100 . 1 . . . . . 36 ASP CA . 53250 1 259 . 1 . 1 36 36 ASP CB C 13 41.192 0.100 . 1 . . . . . 36 ASP CB . 53250 1 260 . 1 . 1 36 36 ASP N N 15 121.469 0.010 . 1 . . . . . 36 ASP N . 53250 1 261 . 1 . 1 37 37 PHE H H 1 8.269 0.005 . 1 . . . . . 37 PHE H . 53250 1 262 . 1 . 1 37 37 PHE HA H 1 4.460 0.005 . 1 . . . . . 37 PHE HA . 53250 1 263 . 1 . 1 37 37 PHE HB2 H 1 3.129 0.005 . 2 . . . . . 37 PHE HB2 . 53250 1 264 . 1 . 1 37 37 PHE HB3 H 1 2.931 0.005 . 2 . . . . . 37 PHE HB3 . 53250 1 265 . 1 . 1 37 37 PHE C C 13 176.448 0.100 . 1 . . . . . 37 PHE C . 53250 1 266 . 1 . 1 37 37 PHE CA C 13 58.517 0.100 . 1 . . . . . 37 PHE CA . 53250 1 267 . 1 . 1 37 37 PHE CB C 13 38.916 0.100 . 1 . . . . . 37 PHE CB . 53250 1 268 . 1 . 1 37 37 PHE N N 15 122.674 0.010 . 1 . . . . . 37 PHE N . 53250 1 269 . 1 . 1 38 38 SER H H 1 8.307 0.005 . 1 . . . . . 38 SER H . 53250 1 270 . 1 . 1 38 38 SER HA H 1 4.182 0.005 . 1 . . . . . 38 SER HA . 53250 1 271 . 1 . 1 38 38 SER HB2 H 1 3.812 0.005 . 2 . . . . . 38 SER HB2 . 53250 1 272 . 1 . 1 38 38 SER HB3 H 1 3.805 0.005 . 2 . . . . . 38 SER HB3 . 53250 1 273 . 1 . 1 38 38 SER C C 13 176.475 0.100 . 1 . . . . . 38 SER C . 53250 1 274 . 1 . 1 38 38 SER CA C 13 59.937 0.100 . 1 . . . . . 38 SER CA . 53250 1 275 . 1 . 1 38 38 SER CB C 13 63.389 0.100 . 1 . . . . . 38 SER CB . 53250 1 276 . 1 . 1 38 38 SER N N 15 117.358 0.010 . 1 . . . . . 38 SER N . 53250 1 277 . 1 . 1 39 39 GLY H H 1 8.112 0.005 . 1 . . . . . 39 GLY H . 53250 1 278 . 1 . 1 39 39 GLY HA2 H 1 3.832 0.005 . 2 . . . . . 39 GLY HA2 . 53250 1 279 . 1 . 1 39 39 GLY HA3 H 1 3.820 0.005 . 2 . . . . . 39 GLY HA3 . 53250 1 280 . 1 . 1 39 39 GLY C C 13 174.484 0.100 . 1 . . . . . 39 GLY C . 53250 1 281 . 1 . 1 39 39 GLY CA C 13 45.805 0.100 . 1 . . . . . 39 GLY CA . 53250 1 282 . 1 . 1 39 39 GLY N N 15 111.264 0.010 . 1 . . . . . 39 GLY N . 53250 1 283 . 1 . 1 40 40 LEU H H 1 7.835 0.005 . 1 . . . . . 40 LEU H . 53250 1 284 . 1 . 1 40 40 LEU HA H 1 4.177 0.005 . 1 . . . . . 40 LEU HA . 53250 1 285 . 1 . 1 40 40 LEU C C 13 177.531 0.100 . 1 . . . . . 40 LEU C . 53250 1 286 . 1 . 1 40 40 LEU CA C 13 55.716 0.100 . 1 . . . . . 40 LEU CA . 53250 1 287 . 1 . 1 40 40 LEU CB C 13 42.320 0.100 . 1 . . . . . 40 LEU CB . 53250 1 288 . 1 . 1 40 40 LEU CG C 13 26.839 0.100 . 1 . . . . . 40 LEU CG . 53250 1 289 . 1 . 1 40 40 LEU CD1 C 13 24.981 0.100 . 2 . . . . . 40 LEU CD1 . 53250 1 290 . 1 . 1 40 40 LEU CD2 C 13 23.423 0.100 . 2 . . . . . 40 LEU CD2 . 53250 1 291 . 1 . 1 40 40 LEU N N 15 122.059 0.010 . 1 . . . . . 40 LEU N . 53250 1 292 . 1 . 1 41 41 LEU H H 1 7.962 0.005 . 1 . . . . . 41 LEU H . 53250 1 293 . 1 . 1 41 41 LEU HA H 1 4.193 0.005 . 1 . . . . . 41 LEU HA . 53250 1 294 . 1 . 1 41 41 LEU C C 13 177.392 0.100 . 1 . . . . . 41 LEU C . 53250 1 295 . 1 . 1 41 41 LEU CA C 13 55.494 0.100 . 1 . . . . . 41 LEU CA . 53250 1 296 . 1 . 1 41 41 LEU CB C 13 42.048 0.100 . 1 . . . . . 41 LEU CB . 53250 1 297 . 1 . 1 41 41 LEU CG C 13 26.981 0.100 . 1 . . . . . 41 LEU CG . 53250 1 298 . 1 . 1 41 41 LEU CD1 C 13 24.939 0.100 . 2 . . . . . 41 LEU CD1 . 53250 1 299 . 1 . 1 41 41 LEU CD2 C 13 23.437 0.100 . 2 . . . . . 41 LEU CD2 . 53250 1 300 . 1 . 1 41 41 LEU N N 15 121.569 0.010 . 1 . . . . . 41 LEU N . 53250 1 301 . 1 . 1 42 42 LYS H H 1 7.997 0.005 . 1 . . . . . 42 LYS H . 53250 1 302 . 1 . 1 42 42 LYS HA H 1 4.185 0.005 . 1 . . . . . 42 LYS HA . 53250 1 303 . 1 . 1 42 42 LYS HG2 H 1 1.345 0.005 . 2 . . . . . 42 LYS HG2 . 53250 1 304 . 1 . 1 42 42 LYS HG3 H 1 1.333 0.005 . 2 . . . . . 42 LYS HG3 . 53250 1 305 . 1 . 1 42 42 LYS C C 13 176.525 0.100 . 1 . . . . . 42 LYS C . 53250 1 306 . 1 . 1 42 42 LYS CA C 13 56.384 0.100 . 1 . . . . . 42 LYS CA . 53250 1 307 . 1 . 1 42 42 LYS CB C 13 32.823 0.100 . 1 . . . . . 42 LYS CB . 53250 1 308 . 1 . 1 42 42 LYS CG C 13 24.731 0.100 . 1 . . . . . 42 LYS CG . 53250 1 309 . 1 . 1 42 42 LYS CD C 13 29.064 0.100 . 1 . . . . . 42 LYS CD . 53250 1 310 . 1 . 1 42 42 LYS CE C 13 42.027 0.100 . 1 . . . . . 42 LYS CE . 53250 1 311 . 1 . 1 42 42 LYS N N 15 122.225 0.010 . 1 . . . . . 42 LYS N . 53250 1 312 . 1 . 1 43 43 ARG H H 1 8.136 0.005 . 1 . . . . . 43 ARG H . 53250 1 313 . 1 . 1 43 43 ARG HA H 1 4.207 0.005 . 1 . . . . . 43 ARG HA . 53250 1 314 . 1 . 1 43 43 ARG HB2 H 1 1.743 0.005 . 2 . . . . . 43 ARG HB2 . 53250 1 315 . 1 . 1 43 43 ARG HB3 H 1 1.728 0.005 . 2 . . . . . 43 ARG HB3 . 53250 1 316 . 1 . 1 43 43 ARG HG2 H 1 1.558 0.005 . 2 . . . . . 43 ARG HG2 . 53250 1 317 . 1 . 1 43 43 ARG HG3 H 1 1.551 0.005 . 2 . . . . . 43 ARG HG3 . 53250 1 318 . 1 . 1 43 43 ARG HD2 H 1 3.100 0.005 . 2 . . . . . 43 ARG HD2 . 53250 1 319 . 1 . 1 43 43 ARG C C 13 176.230 0.100 . 1 . . . . . 43 ARG C . 53250 1 320 . 1 . 1 43 43 ARG CA C 13 56.290 0.100 . 1 . . . . . 43 ARG CA . 53250 1 321 . 1 . 1 43 43 ARG CB C 13 30.698 0.100 . 1 . . . . . 43 ARG CB . 53250 1 322 . 1 . 1 43 43 ARG CG C 13 27.114 0.100 . 1 . . . . . 43 ARG CG . 53250 1 323 . 1 . 1 43 43 ARG CD C 13 43.286 0.100 . 1 . . . . . 43 ARG CD . 53250 1 324 . 1 . 1 43 43 ARG N N 15 122.637 0.010 . 1 . . . . . 43 ARG N . 53250 1 325 . 1 . 1 44 44 ARG H H 1 8.253 0.005 . 1 . . . . . 44 ARG H . 53250 1 326 . 1 . 1 44 44 ARG HA H 1 4.220 0.005 . 1 . . . . . 44 ARG HA . 53250 1 327 . 1 . 1 44 44 ARG HB2 H 1 1.736 0.005 . 2 . . . . . 44 ARG HB2 . 53250 1 328 . 1 . 1 44 44 ARG HB3 H 1 1.718 0.005 . 2 . . . . . 44 ARG HB3 . 53250 1 329 . 1 . 1 44 44 ARG HG2 H 1 1.560 0.005 . 2 . . . . . 44 ARG HG2 . 53250 1 330 . 1 . 1 44 44 ARG HG3 H 1 1.546 0.005 . 2 . . . . . 44 ARG HG3 . 53250 1 331 . 1 . 1 44 44 ARG HD2 H 1 3.061 0.005 . 2 . . . . . 44 ARG HD2 . 53250 1 332 . 1 . 1 44 44 ARG C C 13 176.070 0.100 . 1 . . . . . 44 ARG C . 53250 1 333 . 1 . 1 44 44 ARG CA C 13 56.226 0.100 . 1 . . . . . 44 ARG CA . 53250 1 334 . 1 . 1 44 44 ARG CB C 13 30.715 0.100 . 1 . . . . . 44 ARG CB . 53250 1 335 . 1 . 1 44 44 ARG CG C 13 27.094 0.100 . 1 . . . . . 44 ARG CG . 53250 1 336 . 1 . 1 44 44 ARG CD C 13 43.314 0.100 . 1 . . . . . 44 ARG CD . 53250 1 337 . 1 . 1 44 44 ARG N N 15 123.134 0.010 . 1 . . . . . 44 ARG N . 53250 1 338 . 1 . 1 45 45 GLU H H 1 8.368 0.005 . 1 . . . . . 45 GLU H . 53250 1 339 . 1 . 1 45 45 GLU HA H 1 4.227 0.005 . 1 . . . . . 45 GLU HA . 53250 1 340 . 1 . 1 45 45 GLU HB2 H 1 1.915 0.005 . 2 . . . . . 45 GLU HB2 . 53250 1 341 . 1 . 1 45 45 GLU HB3 H 1 1.893 0.005 . 2 . . . . . 45 GLU HB3 . 53250 1 342 . 1 . 1 45 45 GLU HG2 H 1 2.173 0.005 . 2 . . . . . 45 GLU HG2 . 53250 1 343 . 1 . 1 45 45 GLU HG3 H 1 2.148 0.005 . 2 . . . . . 45 GLU HG3 . 53250 1 344 . 1 . 1 45 45 GLU C C 13 176.193 0.100 . 1 . . . . . 45 GLU C . 53250 1 345 . 1 . 1 45 45 GLU CA C 13 56.385 0.100 . 1 . . . . . 45 GLU CA . 53250 1 346 . 1 . 1 45 45 GLU CB C 13 30.305 0.100 . 1 . . . . . 45 GLU CB . 53250 1 347 . 1 . 1 45 45 GLU CG C 13 36.177 0.100 . 1 . . . . . 45 GLU CG . 53250 1 348 . 1 . 1 45 45 GLU N N 15 123.142 0.010 . 1 . . . . . 45 GLU N . 53250 1 349 . 1 . 1 46 46 VAL H H 1 8.086 0.005 . 1 . . . . . 46 VAL H . 53250 1 350 . 1 . 1 46 46 VAL HA H 1 4.007 0.005 . 1 . . . . . 46 VAL HA . 53250 1 351 . 1 . 1 46 46 VAL HB H 1 1.970 0.005 . 1 . . . . . 46 VAL HB . 53250 1 352 . 1 . 1 46 46 VAL C C 13 175.928 0.100 . 1 . . . . . 46 VAL C . 53250 1 353 . 1 . 1 46 46 VAL CA C 13 62.255 0.100 . 1 . . . . . 46 VAL CA . 53250 1 354 . 1 . 1 46 46 VAL CB C 13 32.808 0.100 . 1 . . . . . 46 VAL CB . 53250 1 355 . 1 . 1 46 46 VAL N N 15 122.415 0.010 . 1 . . . . . 46 VAL N . 53250 1 356 . 1 . 1 47 47 LYS H H 1 8.333 0.005 . 1 . . . . . 47 LYS H . 53250 1 357 . 1 . 1 47 47 LYS HA H 1 4.231 0.005 . 1 . . . . . 47 LYS HA . 53250 1 358 . 1 . 1 47 47 LYS HG2 H 1 1.339 0.005 . 2 . . . . . 47 LYS HG2 . 53250 1 359 . 1 . 1 47 47 LYS HG3 H 1 1.326 0.005 . 2 . . . . . 47 LYS HG3 . 53250 1 360 . 1 . 1 47 47 LYS C C 13 176.321 0.100 . 1 . . . . . 47 LYS C . 53250 1 361 . 1 . 1 47 47 LYS CA C 13 56.153 0.100 . 1 . . . . . 47 LYS CA . 53250 1 362 . 1 . 1 47 47 LYS CB C 13 32.978 0.100 . 1 . . . . . 47 LYS CB . 53250 1 363 . 1 . 1 47 47 LYS CG C 13 24.636 0.100 . 1 . . . . . 47 LYS CG . 53250 1 364 . 1 . 1 47 47 LYS CD C 13 28.904 0.100 . 1 . . . . . 47 LYS CD . 53250 1 365 . 1 . 1 47 47 LYS CE C 13 42.014 0.100 . 1 . . . . . 47 LYS CE . 53250 1 366 . 1 . 1 47 47 LYS N N 15 126.008 0.010 . 1 . . . . . 47 LYS N . 53250 1 367 . 1 . 1 48 48 GLN H H 1 8.386 0.005 . 1 . . . . . 48 GLN H . 53250 1 368 . 1 . 1 48 48 GLN HA H 1 4.222 0.005 . 1 . . . . . 48 GLN HA . 53250 1 369 . 1 . 1 48 48 GLN HB2 H 1 1.993 0.005 . 2 . . . . . 48 GLN HB2 . 53250 1 370 . 1 . 1 48 48 GLN HB3 H 1 1.958 0.005 . 2 . . . . . 48 GLN HB3 . 53250 1 371 . 1 . 1 48 48 GLN HG2 H 1 2.300 0.005 . 2 . . . . . 48 GLN HG2 . 53250 1 372 . 1 . 1 48 48 GLN HG3 H 1 2.290 0.005 . 2 . . . . . 48 GLN HG3 . 53250 1 373 . 1 . 1 48 48 GLN C C 13 175.792 0.100 . 1 . . . . . 48 GLN C . 53250 1 374 . 1 . 1 48 48 GLN CA C 13 56.113 0.100 . 1 . . . . . 48 GLN CA . 53250 1 375 . 1 . 1 48 48 GLN CB C 13 29.394 0.100 . 1 . . . . . 48 GLN CB . 53250 1 376 . 1 . 1 48 48 GLN CG C 13 33.756 0.100 . 1 . . . . . 48 GLN CG . 53250 1 377 . 1 . 1 48 48 GLN N N 15 122.801 0.010 . 1 . . . . . 48 GLN N . 53250 1 378 . 1 . 1 49 49 GLN H H 1 8.374 0.005 . 1 . . . . . 49 GLN H . 53250 1 379 . 1 . 1 49 49 GLN HA H 1 4.227 0.005 . 1 . . . . . 49 GLN HA . 53250 1 380 . 1 . 1 49 49 GLN HB2 H 1 2.000 0.005 . 2 . . . . . 49 GLN HB2 . 53250 1 381 . 1 . 1 49 49 GLN HB3 H 1 1.971 0.005 . 2 . . . . . 49 GLN HB3 . 53250 1 382 . 1 . 1 49 49 GLN HG2 H 1 2.295 0.005 . 2 . . . . . 49 GLN HG2 . 53250 1 383 . 1 . 1 49 49 GLN HG3 H 1 2.283 0.005 . 2 . . . . . 49 GLN HG3 . 53250 1 384 . 1 . 1 49 49 GLN C C 13 175.770 0.100 . 1 . . . . . 49 GLN C . 53250 1 385 . 1 . 1 49 49 GLN CA C 13 56.083 0.100 . 1 . . . . . 49 GLN CA . 53250 1 386 . 1 . 1 49 49 GLN CB C 13 29.325 0.100 . 1 . . . . . 49 GLN CB . 53250 1 387 . 1 . 1 49 49 GLN CG C 13 33.702 0.100 . 1 . . . . . 49 GLN CG . 53250 1 388 . 1 . 1 49 49 GLN N N 15 122.143 0.010 . 1 . . . . . 49 GLN N . 53250 1 389 . 1 . 1 50 50 GLU H H 1 8.405 0.005 . 1 . . . . . 50 GLU H . 53250 1 390 . 1 . 1 50 50 GLU HA H 1 4.207 0.005 . 1 . . . . . 50 GLU HA . 53250 1 391 . 1 . 1 50 50 GLU HB2 H 1 1.973 0.005 . 2 . . . . . 50 GLU HB2 . 53250 1 392 . 1 . 1 50 50 GLU HB3 H 1 1.895 0.005 . 2 . . . . . 50 GLU HB3 . 53250 1 393 . 1 . 1 50 50 GLU HG2 H 1 2.211 0.005 . 2 . . . . . 50 GLU HG2 . 53250 1 394 . 1 . 1 50 50 GLU HG3 H 1 2.189 0.005 . 2 . . . . . 50 GLU HG3 . 53250 1 395 . 1 . 1 50 50 GLU C C 13 176.210 0.100 . 1 . . . . . 50 GLU C . 53250 1 396 . 1 . 1 50 50 GLU CA C 13 56.562 0.100 . 1 . . . . . 50 GLU CA . 53250 1 397 . 1 . 1 50 50 GLU CB C 13 30.298 0.100 . 1 . . . . . 50 GLU CB . 53250 1 398 . 1 . 1 50 50 GLU CG C 13 36.242 0.100 . 1 . . . . . 50 GLU CG . 53250 1 399 . 1 . 1 50 50 GLU N N 15 122.676 0.010 . 1 . . . . . 50 GLU N . 53250 1 400 . 1 . 1 51 51 GLU H H 1 8.320 0.005 . 1 . . . . . 51 GLU H . 53250 1 401 . 1 . 1 51 51 GLU HA H 1 4.207 0.005 . 1 . . . . . 51 GLU HA . 53250 1 402 . 1 . 1 51 51 GLU HB2 H 1 1.930 0.005 . 2 . . . . . 51 GLU HB2 . 53250 1 403 . 1 . 1 51 51 GLU HB3 H 1 1.891 0.005 . 2 . . . . . 51 GLU HB3 . 53250 1 404 . 1 . 1 51 51 GLU HG2 H 1 2.191 0.005 . 2 . . . . . 51 GLU HG2 . 53250 1 405 . 1 . 1 51 51 GLU HG3 H 1 2.176 0.005 . 2 . . . . . 51 GLU HG3 . 53250 1 406 . 1 . 1 51 51 GLU C C 13 176.027 0.100 . 1 . . . . . 51 GLU C . 53250 1 407 . 1 . 1 51 51 GLU CA C 13 56.340 0.100 . 1 . . . . . 51 GLU CA . 53250 1 408 . 1 . 1 51 51 GLU CB C 13 30.468 0.100 . 1 . . . . . 51 GLU CB . 53250 1 409 . 1 . 1 51 51 GLU CG C 13 36.238 0.100 . 1 . . . . . 51 GLU CG . 53250 1 410 . 1 . 1 51 51 GLU N N 15 122.299 0.010 . 1 . . . . . 51 GLU N . 53250 1 411 . 1 . 1 52 52 GLU H H 1 8.332 0.005 . 1 . . . . . 52 GLU H . 53250 1 412 . 1 . 1 52 52 GLU C C 13 174.308 0.100 . 1 . . . . . 52 GLU C . 53250 1 413 . 1 . 1 52 52 GLU CA C 13 54.216 0.100 . 1 . . . . . 52 GLU CA . 53250 1 414 . 1 . 1 52 52 GLU CB C 13 29.877 0.100 . 1 . . . . . 52 GLU CB . 53250 1 415 . 1 . 1 52 52 GLU N N 15 124.145 0.010 . 1 . . . . . 52 GLU N . 53250 1 416 . 1 . 1 53 53 PRO HA H 1 4.356 0.005 . 1 . . . . . 53 PRO HA . 53250 1 417 . 1 . 1 53 53 PRO HB2 H 1 2.203 0.005 . 2 . . . . . 53 PRO HB2 . 53250 1 418 . 1 . 1 53 53 PRO HB3 H 1 2.190 0.005 . 2 . . . . . 53 PRO HB3 . 53250 1 419 . 1 . 1 53 53 PRO HG2 H 1 1.891 0.005 . 2 . . . . . 53 PRO HG2 . 53250 1 420 . 1 . 1 53 53 PRO HG3 H 1 1.829 0.005 . 2 . . . . . 53 PRO HG3 . 53250 1 421 . 1 . 1 53 53 PRO C C 13 176.684 0.100 . 1 . . . . . 53 PRO C . 53250 1 422 . 1 . 1 53 53 PRO CA C 13 63.040 0.100 . 1 . . . . . 53 PRO CA . 53250 1 423 . 1 . 1 53 53 PRO CB C 13 32.051 0.100 . 1 . . . . . 53 PRO CB . 53250 1 424 . 1 . 1 53 53 PRO CG C 13 27.354 0.100 . 1 . . . . . 53 PRO CG . 53250 1 425 . 1 . 1 53 53 PRO CD C 13 50.522 0.100 . 1 . . . . . 53 PRO CD . 53250 1 426 . 1 . 1 54 54 GLN H H 1 8.497 0.005 . 1 . . . . . 54 GLN H . 53250 1 427 . 1 . 1 54 54 GLN HA H 1 4.271 0.005 . 1 . . . . . 54 GLN HA . 53250 1 428 . 1 . 1 54 54 GLN HG2 H 1 2.343 0.005 . 2 . . . . . 54 GLN HG2 . 53250 1 429 . 1 . 1 54 54 GLN HG3 H 1 2.327 0.005 . 2 . . . . . 54 GLN HG3 . 53250 1 430 . 1 . 1 54 54 GLN C C 13 175.951 0.100 . 1 . . . . . 54 GLN C . 53250 1 431 . 1 . 1 54 54 GLN CA C 13 55.585 0.100 . 1 . . . . . 54 GLN CA . 53250 1 432 . 1 . 1 54 54 GLN CB C 13 29.534 0.100 . 1 . . . . . 54 GLN CB . 53250 1 433 . 1 . 1 54 54 GLN CG C 13 33.874 0.100 . 1 . . . . . 54 GLN CG . 53250 1 434 . 1 . 1 54 54 GLN N N 15 121.874 0.010 . 1 . . . . . 54 GLN N . 53250 1 435 . 1 . 1 55 55 VAL H H 1 8.061 0.005 . 1 . . . . . 55 VAL H . 53250 1 436 . 1 . 1 55 55 VAL HA H 1 3.967 0.005 . 1 . . . . . 55 VAL HA . 53250 1 437 . 1 . 1 55 55 VAL HB H 1 1.901 0.005 . 1 . . . . . 55 VAL HB . 53250 1 438 . 1 . 1 55 55 VAL C C 13 175.078 0.100 . 1 . . . . . 55 VAL C . 53250 1 439 . 1 . 1 55 55 VAL CA C 13 62.199 0.100 . 1 . . . . . 55 VAL CA . 53250 1 440 . 1 . 1 55 55 VAL CB C 13 33.116 0.100 . 1 . . . . . 55 VAL CB . 53250 1 441 . 1 . 1 55 55 VAL N N 15 121.993 0.010 . 1 . . . . . 55 VAL N . 53250 1 442 . 1 . 1 56 56 ASP H H 1 8.348 0.005 . 1 . . . . . 56 ASP H . 53250 1 443 . 1 . 1 56 56 ASP HA H 1 4.560 0.005 . 1 . . . . . 56 ASP HA . 53250 1 444 . 1 . 1 56 56 ASP HB2 H 1 2.735 0.005 . 2 . . . . . 56 ASP HB2 . 53250 1 445 . 1 . 1 56 56 ASP HB3 H 1 2.538 0.005 . 2 . . . . . 56 ASP HB3 . 53250 1 446 . 1 . 1 56 56 ASP C C 13 176.816 0.100 . 1 . . . . . 56 ASP C . 53250 1 447 . 1 . 1 56 56 ASP CA C 13 53.393 0.100 . 1 . . . . . 56 ASP CA . 53250 1 448 . 1 . 1 56 56 ASP CB C 13 41.109 0.100 . 1 . . . . . 56 ASP CB . 53250 1 449 . 1 . 1 56 56 ASP N N 15 125.398 0.010 . 1 . . . . . 56 ASP N . 53250 1 450 . 1 . 1 57 57 VAL H H 1 8.114 0.005 . 1 . . . . . 57 VAL H . 53250 1 451 . 1 . 1 57 57 VAL HA H 1 3.221 0.005 . 1 . . . . . 57 VAL HA . 53250 1 452 . 1 . 1 57 57 VAL HB H 1 1.413 0.005 . 1 . . . . . 57 VAL HB . 53250 1 453 . 1 . 1 57 57 VAL C C 13 175.741 0.100 . 1 . . . . . 57 VAL C . 53250 1 454 . 1 . 1 57 57 VAL CA C 13 64.662 0.100 . 1 . . . . . 57 VAL CA . 53250 1 455 . 1 . 1 57 57 VAL CB C 13 31.104 0.100 . 1 . . . . . 57 VAL CB . 53250 1 456 . 1 . 1 57 57 VAL CG1 C 13 21.580 0.100 . 2 . . . . . 57 VAL CG1 . 53250 1 457 . 1 . 1 57 57 VAL CG2 C 13 19.810 0.100 . 2 . . . . . 57 VAL CG2 . 53250 1 458 . 1 . 1 57 57 VAL N N 15 124.659 0.010 . 1 . . . . . 57 VAL N . 53250 1 459 . 1 . 1 58 58 TRP H H 1 7.573 0.005 . 1 . . . . . 58 TRP H . 53250 1 460 . 1 . 1 58 58 TRP HA H 1 4.143 0.005 . 1 . . . . . 58 TRP HA . 53250 1 461 . 1 . 1 58 58 TRP HB2 H 1 3.201 0.005 . 2 . . . . . 58 TRP HB2 . 53250 1 462 . 1 . 1 58 58 TRP HB3 H 1 3.194 0.005 . 2 . . . . . 58 TRP HB3 . 53250 1 463 . 1 . 1 58 58 TRP C C 13 177.969 0.100 . 1 . . . . . 58 TRP C . 53250 1 464 . 1 . 1 58 58 TRP CA C 13 59.747 0.100 . 1 . . . . . 58 TRP CA . 53250 1 465 . 1 . 1 58 58 TRP CB C 13 28.676 0.100 . 1 . . . . . 58 TRP CB . 53250 1 466 . 1 . 1 58 58 TRP N N 15 121.947 0.010 . 1 . . . . . 58 TRP N . 53250 1 467 . 1 . 1 59 59 GLU H H 1 7.514 0.005 . 1 . . . . . 59 GLU H . 53250 1 468 . 1 . 1 59 59 GLU HA H 1 3.808 0.005 . 1 . . . . . 59 GLU HA . 53250 1 469 . 1 . 1 59 59 GLU C C 13 178.668 0.100 . 1 . . . . . 59 GLU C . 53250 1 470 . 1 . 1 59 59 GLU CA C 13 58.605 0.100 . 1 . . . . . 59 GLU CA . 53250 1 471 . 1 . 1 59 59 GLU CB C 13 29.278 0.100 . 1 . . . . . 59 GLU CB . 53250 1 472 . 1 . 1 59 59 GLU CG C 13 35.660 0.100 . 1 . . . . . 59 GLU CG . 53250 1 473 . 1 . 1 59 59 GLU N N 15 119.330 0.010 . 1 . . . . . 59 GLU N . 53250 1 474 . 1 . 1 60 60 LEU H H 1 7.368 0.005 . 1 . . . . . 60 LEU H . 53250 1 475 . 1 . 1 60 60 LEU HA H 1 3.953 0.005 . 1 . . . . . 60 LEU HA . 53250 1 476 . 1 . 1 60 60 LEU HB2 H 1 1.620 0.005 . 2 . . . . . 60 LEU HB2 . 53250 1 477 . 1 . 1 60 60 LEU HB3 H 1 1.598 0.005 . 2 . . . . . 60 LEU HB3 . 53250 1 478 . 1 . 1 60 60 LEU HG H 1 1.362 0.005 . 1 . . . . . 60 LEU HG . 53250 1 479 . 1 . 1 60 60 LEU C C 13 180.072 0.100 . 1 . . . . . 60 LEU C . 53250 1 480 . 1 . 1 60 60 LEU CA C 13 57.436 0.100 . 1 . . . . . 60 LEU CA . 53250 1 481 . 1 . 1 60 60 LEU CB C 13 41.987 0.100 . 1 . . . . . 60 LEU CB . 53250 1 482 . 1 . 1 60 60 LEU CG C 13 26.625 0.100 . 1 . . . . . 60 LEU CG . 53250 1 483 . 1 . 1 60 60 LEU CD1 C 13 25.087 0.100 . 2 . . . . . 60 LEU CD1 . 53250 1 484 . 1 . 1 60 60 LEU CD2 C 13 23.726 0.100 . 2 . . . . . 60 LEU CD2 . 53250 1 485 . 1 . 1 60 60 LEU N N 15 119.051 0.010 . 1 . . . . . 60 LEU N . 53250 1 486 . 1 . 1 61 61 LEU H H 1 8.013 0.005 . 1 . . . . . 61 LEU H . 53250 1 487 . 1 . 1 61 61 LEU C C 13 178.710 0.100 . 1 . . . . . 61 LEU C . 53250 1 488 . 1 . 1 61 61 LEU CA C 13 57.224 0.100 . 1 . . . . . 61 LEU CA . 53250 1 489 . 1 . 1 61 61 LEU CB C 13 42.274 0.100 . 1 . . . . . 61 LEU CB . 53250 1 490 . 1 . 1 61 61 LEU CG C 13 26.869 0.100 . 1 . . . . . 61 LEU CG . 53250 1 491 . 1 . 1 61 61 LEU CD1 C 13 25.862 0.100 . 2 . . . . . 61 LEU CD1 . 53250 1 492 . 1 . 1 61 61 LEU CD2 C 13 23.818 0.100 . 2 . . . . . 61 LEU CD2 . 53250 1 493 . 1 . 1 61 61 LEU N N 15 118.774 0.010 . 1 . . . . . 61 LEU N . 53250 1 494 . 1 . 1 62 62 LYS H H 1 7.907 0.005 . 1 . . . . . 62 LYS H . 53250 1 495 . 1 . 1 62 62 LYS HA H 1 3.675 0.005 . 1 . . . . . 62 LYS HA . 53250 1 496 . 1 . 1 62 62 LYS C C 13 177.037 0.100 . 1 . . . . . 62 LYS C . 53250 1 497 . 1 . 1 62 62 LYS CA C 13 59.487 0.100 . 1 . . . . . 62 LYS CA . 53250 1 498 . 1 . 1 62 62 LYS CB C 13 32.131 0.100 . 1 . . . . . 62 LYS CB . 53250 1 499 . 1 . 1 62 62 LYS CG C 13 24.661 0.100 . 1 . . . . . 62 LYS CG . 53250 1 500 . 1 . 1 62 62 LYS CD C 13 29.588 0.100 . 1 . . . . . 62 LYS CD . 53250 1 501 . 1 . 1 62 62 LYS CE C 13 41.857 0.100 . 1 . . . . . 62 LYS CE . 53250 1 502 . 1 . 1 62 62 LYS N N 15 119.318 0.010 . 1 . . . . . 62 LYS N . 53250 1 503 . 1 . 1 63 63 ASN H H 1 7.274 0.005 . 1 . . . . . 63 ASN H . 53250 1 504 . 1 . 1 63 63 ASN HA H 1 4.776 0.005 . 1 . . . . . 63 ASN HA . 53250 1 505 . 1 . 1 63 63 ASN HB2 H 1 2.875 0.005 . 2 . . . . . 63 ASN HB2 . 53250 1 506 . 1 . 1 63 63 ASN HB3 H 1 2.556 0.005 . 2 . . . . . 63 ASN HB3 . 53250 1 507 . 1 . 1 63 63 ASN C C 13 174.375 0.100 . 1 . . . . . 63 ASN C . 53250 1 508 . 1 . 1 63 63 ASN CA C 13 52.943 0.100 . 1 . . . . . 63 ASN CA . 53250 1 509 . 1 . 1 63 63 ASN CB C 13 39.976 0.100 . 1 . . . . . 63 ASN CB . 53250 1 510 . 1 . 1 63 63 ASN N N 15 114.586 0.010 . 1 . . . . . 63 ASN N . 53250 1 511 . 1 . 1 64 64 ALA H H 1 7.370 0.005 . 1 . . . . . 64 ALA H . 53250 1 512 . 1 . 1 64 64 ALA HA H 1 4.391 0.005 . 1 . . . . . 64 ALA HA . 53250 1 513 . 1 . 1 64 64 ALA HB1 H 1 1.472 0.005 . 1 . . . . . 64 ALA MB . 53250 1 514 . 1 . 1 64 64 ALA HB2 H 1 1.472 0.005 . 1 . . . . . 64 ALA MB . 53250 1 515 . 1 . 1 64 64 ALA HB3 H 1 1.472 0.005 . 1 . . . . . 64 ALA MB . 53250 1 516 . 1 . 1 64 64 ALA C C 13 177.439 0.100 . 1 . . . . . 64 ALA C . 53250 1 517 . 1 . 1 64 64 ALA CA C 13 51.696 0.100 . 1 . . . . . 64 ALA CA . 53250 1 518 . 1 . 1 64 64 ALA CB C 13 20.290 0.100 . 1 . . . . . 64 ALA CB . 53250 1 519 . 1 . 1 64 64 ALA N N 15 124.495 0.010 . 1 . . . . . 64 ALA N . 53250 1 520 . 1 . 1 65 65 LYS H H 1 8.586 0.005 . 1 . . . . . 65 LYS H . 53250 1 521 . 1 . 1 65 65 LYS C C 13 176.083 0.100 . 1 . . . . . 65 LYS C . 53250 1 522 . 1 . 1 65 65 LYS CA C 13 54.146 0.100 . 1 . . . . . 65 LYS CA . 53250 1 523 . 1 . 1 65 65 LYS CB C 13 32.066 0.100 . 1 . . . . . 65 LYS CB . 53250 1 524 . 1 . 1 65 65 LYS N N 15 122.319 0.010 . 1 . . . . . 65 LYS N . 53250 1 525 . 1 . 1 66 66 PRO C C 13 178.163 0.100 . 1 . . . . . 66 PRO C . 53250 1 526 . 1 . 1 66 66 PRO CA C 13 64.177 0.100 . 1 . . . . . 66 PRO CA . 53250 1 527 . 1 . 1 66 66 PRO CB C 13 31.541 0.100 . 1 . . . . . 66 PRO CB . 53250 1 528 . 1 . 1 66 66 PRO CG C 13 27.599 0.100 . 1 . . . . . 66 PRO CG . 53250 1 529 . 1 . 1 66 66 PRO CD C 13 50.157 0.100 . 1 . . . . . 66 PRO CD . 53250 1 530 . 1 . 1 67 67 SER H H 1 7.608 0.005 . 1 . . . . . 67 SER H . 53250 1 531 . 1 . 1 67 67 SER C C 13 175.567 0.100 . 1 . . . . . 67 SER C . 53250 1 532 . 1 . 1 67 67 SER CA C 13 59.864 0.100 . 1 . . . . . 67 SER CA . 53250 1 533 . 1 . 1 67 67 SER CB C 13 62.140 0.100 . 1 . . . . . 67 SER CB . 53250 1 534 . 1 . 1 67 67 SER N N 15 111.322 0.010 . 1 . . . . . 67 SER N . 53250 1 535 . 1 . 1 68 68 GLU H H 1 8.234 0.005 . 1 . . . . . 68 GLU H . 53250 1 536 . 1 . 1 68 68 GLU HA H 1 4.418 0.005 . 1 . . . . . 68 GLU HA . 53250 1 537 . 1 . 1 68 68 GLU C C 13 177.017 0.100 . 1 . . . . . 68 GLU C . 53250 1 538 . 1 . 1 68 68 GLU CA C 13 56.042 0.100 . 1 . . . . . 68 GLU CA . 53250 1 539 . 1 . 1 68 68 GLU CB C 13 30.932 0.100 . 1 . . . . . 68 GLU CB . 53250 1 540 . 1 . 1 68 68 GLU CG C 13 37.033 0.100 . 1 . . . . . 68 GLU CG . 53250 1 541 . 1 . 1 68 68 GLU N N 15 121.233 0.010 . 1 . . . . . 68 GLU N . 53250 1 542 . 1 . 1 69 69 TYR H H 1 7.283 0.005 . 1 . . . . . 69 TYR H . 53250 1 543 . 1 . 1 69 69 TYR HA H 1 4.167 0.005 . 1 . . . . . 69 TYR HA . 53250 1 544 . 1 . 1 69 69 TYR HB2 H 1 3.133 0.005 . 2 . . . . . 69 TYR HB2 . 53250 1 545 . 1 . 1 69 69 TYR HB3 H 1 2.944 0.005 . 2 . . . . . 69 TYR HB3 . 53250 1 546 . 1 . 1 69 69 TYR C C 13 177.506 0.100 . 1 . . . . . 69 TYR C . 53250 1 547 . 1 . 1 69 69 TYR CA C 13 58.753 0.100 . 1 . . . . . 69 TYR CA . 53250 1 548 . 1 . 1 69 69 TYR CB C 13 36.878 0.100 . 1 . . . . . 69 TYR CB . 53250 1 549 . 1 . 1 69 69 TYR N N 15 118.836 0.010 . 1 . . . . . 69 TYR N . 53250 1 550 . 1 . 1 70 70 GLU H H 1 8.661 0.005 . 1 . . . . . 70 GLU H . 53250 1 551 . 1 . 1 70 70 GLU HA H 1 3.840 0.005 . 1 . . . . . 70 GLU HA . 53250 1 552 . 1 . 1 70 70 GLU HB2 H 1 1.958 0.005 . 2 . . . . . 70 GLU HB2 . 53250 1 553 . 1 . 1 70 70 GLU HB3 H 1 1.950 0.005 . 2 . . . . . 70 GLU HB3 . 53250 1 554 . 1 . 1 70 70 GLU HG2 H 1 2.198 0.005 . 2 . . . . . 70 GLU HG2 . 53250 1 555 . 1 . 1 70 70 GLU HG3 H 1 2.184 0.005 . 2 . . . . . 70 GLU HG3 . 53250 1 556 . 1 . 1 70 70 GLU C C 13 178.587 0.100 . 1 . . . . . 70 GLU C . 53250 1 557 . 1 . 1 70 70 GLU CA C 13 60.244 0.100 . 1 . . . . . 70 GLU CA . 53250 1 558 . 1 . 1 70 70 GLU CB C 13 28.978 0.100 . 1 . . . . . 70 GLU CB . 53250 1 559 . 1 . 1 70 70 GLU CG C 13 37.134 0.100 . 1 . . . . . 70 GLU CG . 53250 1 560 . 1 . 1 70 70 GLU N N 15 117.777 0.010 . 1 . . . . . 70 GLU N . 53250 1 561 . 1 . 1 71 71 LYS H H 1 7.870 0.005 . 1 . . . . . 71 LYS H . 53250 1 562 . 1 . 1 71 71 LYS HA H 1 4.086 0.005 . 1 . . . . . 71 LYS HA . 53250 1 563 . 1 . 1 71 71 LYS C C 13 179.256 0.100 . 1 . . . . . 71 LYS C . 53250 1 564 . 1 . 1 71 71 LYS CA C 13 59.365 0.100 . 1 . . . . . 71 LYS CA . 53250 1 565 . 1 . 1 71 71 LYS CB C 13 32.063 0.100 . 1 . . . . . 71 LYS CB . 53250 1 566 . 1 . 1 71 71 LYS CG C 13 24.931 0.100 . 1 . . . . . 71 LYS CG . 53250 1 567 . 1 . 1 71 71 LYS CD C 13 29.465 0.100 . 1 . . . . . 71 LYS CD . 53250 1 568 . 1 . 1 71 71 LYS N N 15 121.688 0.010 . 1 . . . . . 71 LYS N . 53250 1 569 . 1 . 1 72 72 ILE H H 1 7.993 0.005 . 1 . . . . . 72 ILE H . 53250 1 570 . 1 . 1 72 72 ILE HA H 1 3.787 0.005 . 1 . . . . . 72 ILE HA . 53250 1 571 . 1 . 1 72 72 ILE HB H 1 1.785 0.005 . 1 . . . . . 72 ILE HB . 53250 1 572 . 1 . 1 72 72 ILE C C 13 177.713 0.100 . 1 . . . . . 72 ILE C . 53250 1 573 . 1 . 1 72 72 ILE CA C 13 65.155 0.100 . 1 . . . . . 72 ILE CA . 53250 1 574 . 1 . 1 72 72 ILE CB C 13 38.351 0.100 . 1 . . . . . 72 ILE CB . 53250 1 575 . 1 . 1 72 72 ILE CG1 C 13 29.287 0.100 . 1 . . . . . 72 ILE CG1 . 53250 1 576 . 1 . 1 72 72 ILE CG2 C 13 17.668 0.100 . 1 . . . . . 72 ILE CG2 . 53250 1 577 . 1 . 1 72 72 ILE CD1 C 13 14.571 0.100 . 1 . . . . . 72 ILE CD1 . 53250 1 578 . 1 . 1 72 72 ILE N N 15 122.034 0.010 . 1 . . . . . 72 ILE N . 53250 1 579 . 1 . 1 73 73 ALA H H 1 8.466 0.005 . 1 . . . . . 73 ALA H . 53250 1 580 . 1 . 1 73 73 ALA HA H 1 3.832 0.005 . 1 . . . . . 73 ALA HA . 53250 1 581 . 1 . 1 73 73 ALA HB1 H 1 1.450 0.005 . 1 . . . . . 73 ALA MB . 53250 1 582 . 1 . 1 73 73 ALA HB2 H 1 1.450 0.005 . 1 . . . . . 73 ALA MB . 53250 1 583 . 1 . 1 73 73 ALA HB3 H 1 1.450 0.005 . 1 . . . . . 73 ALA MB . 53250 1 584 . 1 . 1 73 73 ALA C C 13 179.715 0.100 . 1 . . . . . 73 ALA C . 53250 1 585 . 1 . 1 73 73 ALA CA C 13 55.669 0.100 . 1 . . . . . 73 ALA CA . 53250 1 586 . 1 . 1 73 73 ALA CB C 13 18.257 0.100 . 1 . . . . . 73 ALA CB . 53250 1 587 . 1 . 1 73 73 ALA N N 15 121.573 0.010 . 1 . . . . . 73 ALA N . 53250 1 588 . 1 . 1 74 74 PHE H H 1 8.113 0.005 . 1 . . . . . 74 PHE H . 53250 1 589 . 1 . 1 74 74 PHE HA H 1 4.268 0.005 . 1 . . . . . 74 PHE HA . 53250 1 590 . 1 . 1 74 74 PHE HB2 H 1 3.272 0.005 . 2 . . . . . 74 PHE HB2 . 53250 1 591 . 1 . 1 74 74 PHE HB3 H 1 3.106 0.005 . 2 . . . . . 74 PHE HB3 . 53250 1 592 . 1 . 1 74 74 PHE C C 13 178.887 0.100 . 1 . . . . . 74 PHE C . 53250 1 593 . 1 . 1 74 74 PHE CA C 13 60.567 0.100 . 1 . . . . . 74 PHE CA . 53250 1 594 . 1 . 1 74 74 PHE CB C 13 38.942 0.100 . 1 . . . . . 74 PHE CB . 53250 1 595 . 1 . 1 74 74 PHE N N 15 117.743 0.010 . 1 . . . . . 74 PHE N . 53250 1 596 . 1 . 1 75 75 GLN H H 1 8.159 0.005 . 1 . . . . . 75 GLN H . 53250 1 597 . 1 . 1 75 75 GLN HA H 1 3.714 0.005 . 1 . . . . . 75 GLN HA . 53250 1 598 . 1 . 1 75 75 GLN C C 13 177.180 0.100 . 1 . . . . . 75 GLN C . 53250 1 599 . 1 . 1 75 75 GLN CA C 13 58.517 0.100 . 1 . . . . . 75 GLN CA . 53250 1 600 . 1 . 1 75 75 GLN CB C 13 28.297 0.100 . 1 . . . . . 75 GLN CB . 53250 1 601 . 1 . 1 75 75 GLN CG C 13 33.331 0.100 . 1 . . . . . 75 GLN CG . 53250 1 602 . 1 . 1 75 75 GLN N N 15 120.737 0.010 . 1 . . . . . 75 GLN N . 53250 1 603 . 1 . 1 76 76 TYR H H 1 7.702 0.005 . 1 . . . . . 76 TYR H . 53250 1 604 . 1 . 1 76 76 TYR HA H 1 4.358 0.005 . 1 . . . . . 76 TYR HA . 53250 1 605 . 1 . 1 76 76 TYR HB2 H 1 3.209 0.005 . 2 . . . . . 76 TYR HB2 . 53250 1 606 . 1 . 1 76 76 TYR HB3 H 1 2.448 0.005 . 2 . . . . . 76 TYR HB3 . 53250 1 607 . 1 . 1 76 76 TYR C C 13 175.333 0.100 . 1 . . . . . 76 TYR C . 53250 1 608 . 1 . 1 76 76 TYR CA C 13 58.573 0.100 . 1 . . . . . 76 TYR CA . 53250 1 609 . 1 . 1 76 76 TYR CB C 13 38.365 0.100 . 1 . . . . . 76 TYR CB . 53250 1 610 . 1 . 1 76 76 TYR N N 15 114.767 0.010 . 1 . . . . . 76 TYR N . 53250 1 611 . 1 . 1 77 77 GLY H H 1 7.514 0.005 . 1 . . . . . 77 GLY H . 53250 1 612 . 1 . 1 77 77 GLY HA2 H 1 3.781 0.005 . 2 . . . . . 77 GLY HA2 . 53250 1 613 . 1 . 1 77 77 GLY HA3 H 1 3.756 0.005 . 2 . . . . . 77 GLY HA3 . 53250 1 614 . 1 . 1 77 77 GLY C C 13 174.655 0.100 . 1 . . . . . 77 GLY C . 53250 1 615 . 1 . 1 77 77 GLY CA C 13 46.859 0.100 . 1 . . . . . 77 GLY CA . 53250 1 616 . 1 . 1 77 77 GLY N N 15 110.108 0.010 . 1 . . . . . 77 GLY N . 53250 1 617 . 1 . 1 78 78 ILE H H 1 8.256 0.005 . 1 . . . . . 78 ILE H . 53250 1 618 . 1 . 1 78 78 ILE HA H 1 3.962 0.005 . 1 . . . . . 78 ILE HA . 53250 1 619 . 1 . 1 78 78 ILE HB H 1 1.695 0.005 . 1 . . . . . 78 ILE HB . 53250 1 620 . 1 . 1 78 78 ILE C C 13 175.930 0.100 . 1 . . . . . 78 ILE C . 53250 1 621 . 1 . 1 78 78 ILE CA C 13 60.995 0.100 . 1 . . . . . 78 ILE CA . 53250 1 622 . 1 . 1 78 78 ILE CB C 13 37.987 0.100 . 1 . . . . . 78 ILE CB . 53250 1 623 . 1 . 1 78 78 ILE CG1 C 13 27.157 0.100 . 1 . . . . . 78 ILE CG1 . 53250 1 624 . 1 . 1 78 78 ILE CG2 C 13 17.257 0.100 . 1 . . . . . 78 ILE CG2 . 53250 1 625 . 1 . 1 78 78 ILE CD1 C 13 13.183 0.100 . 1 . . . . . 78 ILE CD1 . 53250 1 626 . 1 . 1 78 78 ILE N N 15 121.749 0.010 . 1 . . . . . 78 ILE N . 53250 1 627 . 1 . 1 79 79 THR H H 1 8.215 0.005 . 1 . . . . . 79 THR H . 53250 1 628 . 1 . 1 79 79 THR C C 13 174.794 0.100 . 1 . . . . . 79 THR C . 53250 1 629 . 1 . 1 79 79 THR CA C 13 62.653 0.100 . 1 . . . . . 79 THR CA . 53250 1 630 . 1 . 1 79 79 THR CB C 13 69.151 0.100 . 1 . . . . . 79 THR CB . 53250 1 631 . 1 . 1 79 79 THR CG2 C 13 21.776 0.100 . 1 . . . . . 79 THR CG2 . 53250 1 632 . 1 . 1 79 79 THR N N 15 119.348 0.010 . 1 . . . . . 79 THR N . 53250 1 633 . 1 . 1 80 80 ASP H H 1 7.945 0.005 . 1 . . . . . 80 ASP H . 53250 1 634 . 1 . 1 80 80 ASP HB2 H 1 2.790 0.005 . 2 . . . . . 80 ASP HB2 . 53250 1 635 . 1 . 1 80 80 ASP HB3 H 1 2.494 0.005 . 2 . . . . . 80 ASP HB3 . 53250 1 636 . 1 . 1 80 80 ASP C C 13 175.657 0.100 . 1 . . . . . 80 ASP C . 53250 1 637 . 1 . 1 80 80 ASP CA C 13 52.441 0.100 . 1 . . . . . 80 ASP CA . 53250 1 638 . 1 . 1 80 80 ASP CB C 13 39.928 0.100 . 1 . . . . . 80 ASP CB . 53250 1 639 . 1 . 1 80 80 ASP N N 15 122.891 0.010 . 1 . . . . . 80 ASP N . 53250 1 640 . 1 . 1 81 81 LEU H H 1 8.392 0.005 . 1 . . . . . 81 LEU H . 53250 1 641 . 1 . 1 81 81 LEU HA H 1 3.845 0.005 . 1 . . . . . 81 LEU HA . 53250 1 642 . 1 . 1 81 81 LEU C C 13 178.333 0.100 . 1 . . . . . 81 LEU C . 53250 1 643 . 1 . 1 81 81 LEU CA C 13 57.729 0.100 . 1 . . . . . 81 LEU CA . 53250 1 644 . 1 . 1 81 81 LEU CB C 13 41.816 0.100 . 1 . . . . . 81 LEU CB . 53250 1 645 . 1 . 1 81 81 LEU CG C 13 27.133 0.100 . 1 . . . . . 81 LEU CG . 53250 1 646 . 1 . 1 81 81 LEU CD1 C 13 24.744 0.100 . 2 . . . . . 81 LEU CD1 . 53250 1 647 . 1 . 1 81 81 LEU CD2 C 13 24.376 0.100 . 2 . . . . . 81 LEU CD2 . 53250 1 648 . 1 . 1 81 81 LEU N N 15 126.341 0.010 . 1 . . . . . 81 LEU N . 53250 1 649 . 1 . 1 82 82 ARG H H 1 8.419 0.005 . 1 . . . . . 82 ARG H . 53250 1 650 . 1 . 1 82 82 ARG HA H 1 3.832 0.005 . 1 . . . . . 82 ARG HA . 53250 1 651 . 1 . 1 82 82 ARG C C 13 179.518 0.100 . 1 . . . . . 82 ARG C . 53250 1 652 . 1 . 1 82 82 ARG CA C 13 59.778 0.100 . 1 . . . . . 82 ARG CA . 53250 1 653 . 1 . 1 82 82 ARG CB C 13 29.542 0.100 . 1 . . . . . 82 ARG CB . 53250 1 654 . 1 . 1 82 82 ARG CG C 13 27.565 0.100 . 1 . . . . . 82 ARG CG . 53250 1 655 . 1 . 1 82 82 ARG CD C 13 43.230 0.100 . 1 . . . . . 82 ARG CD . 53250 1 656 . 1 . 1 82 82 ARG N N 15 118.755 0.010 . 1 . . . . . 82 ARG N . 53250 1 657 . 1 . 1 83 83 GLY H H 1 8.251 0.005 . 1 . . . . . 83 GLY H . 53250 1 658 . 1 . 1 83 83 GLY HA2 H 1 3.849 0.005 . 2 . . . . . 83 GLY HA2 . 53250 1 659 . 1 . 1 83 83 GLY HA3 H 1 3.745 0.005 . 2 . . . . . 83 GLY HA3 . 53250 1 660 . 1 . 1 83 83 GLY C C 13 176.615 0.100 . 1 . . . . . 83 GLY C . 53250 1 661 . 1 . 1 83 83 GLY CA C 13 47.127 0.100 . 1 . . . . . 83 GLY CA . 53250 1 662 . 1 . 1 83 83 GLY N N 15 109.246 0.010 . 1 . . . . . 83 GLY N . 53250 1 663 . 1 . 1 84 84 MET H H 1 7.891 0.005 . 1 . . . . . 84 MET H . 53250 1 664 . 1 . 1 84 84 MET HA H 1 4.113 0.005 . 1 . . . . . 84 MET HA . 53250 1 665 . 1 . 1 84 84 MET C C 13 177.998 0.100 . 1 . . . . . 84 MET C . 53250 1 666 . 1 . 1 84 84 MET CA C 13 58.960 0.100 . 1 . . . . . 84 MET CA . 53250 1 667 . 1 . 1 84 84 MET CB C 13 32.876 0.100 . 1 . . . . . 84 MET CB . 53250 1 668 . 1 . 1 84 84 MET CG C 13 32.140 0.100 . 1 . . . . . 84 MET CG . 53250 1 669 . 1 . 1 84 84 MET N N 15 123.644 0.010 . 1 . . . . . 84 MET N . 53250 1 670 . 1 . 1 85 85 LEU H H 1 8.270 0.005 . 1 . . . . . 85 LEU H . 53250 1 671 . 1 . 1 85 85 LEU HA H 1 3.912 0.005 . 1 . . . . . 85 LEU HA . 53250 1 672 . 1 . 1 85 85 LEU HB2 H 1 1.777 0.005 . 2 . . . . . 85 LEU HB2 . 53250 1 673 . 1 . 1 85 85 LEU HB3 H 1 1.763 0.005 . 2 . . . . . 85 LEU HB3 . 53250 1 674 . 1 . 1 85 85 LEU HG H 1 1.405 0.005 . 1 . . . . . 85 LEU HG . 53250 1 675 . 1 . 1 85 85 LEU C C 13 179.531 0.100 . 1 . . . . . 85 LEU C . 53250 1 676 . 1 . 1 85 85 LEU CA C 13 57.754 0.100 . 1 . . . . . 85 LEU CA . 53250 1 677 . 1 . 1 85 85 LEU CB C 13 41.130 0.100 . 1 . . . . . 85 LEU CB . 53250 1 678 . 1 . 1 85 85 LEU CG C 13 26.792 0.100 . 1 . . . . . 85 LEU CG . 53250 1 679 . 1 . 1 85 85 LEU CD1 C 13 25.351 0.100 . 2 . . . . . 85 LEU CD1 . 53250 1 680 . 1 . 1 85 85 LEU CD2 C 13 22.631 0.100 . 2 . . . . . 85 LEU CD2 . 53250 1 681 . 1 . 1 85 85 LEU N N 15 119.501 0.010 . 1 . . . . . 85 LEU N . 53250 1 682 . 1 . 1 86 86 LYS H H 1 7.730 0.005 . 1 . . . . . 86 LYS H . 53250 1 683 . 1 . 1 86 86 LYS HA H 1 3.952 0.005 . 1 . . . . . 86 LYS HA . 53250 1 684 . 1 . 1 86 86 LYS C C 13 178.900 0.100 . 1 . . . . . 86 LYS C . 53250 1 685 . 1 . 1 86 86 LYS CA C 13 59.512 0.100 . 1 . . . . . 86 LYS CA . 53250 1 686 . 1 . 1 86 86 LYS CB C 13 32.421 0.100 . 1 . . . . . 86 LYS CB . 53250 1 687 . 1 . 1 86 86 LYS CG C 13 25.233 0.100 . 1 . . . . . 86 LYS CG . 53250 1 688 . 1 . 1 86 86 LYS CD C 13 29.443 0.100 . 1 . . . . . 86 LYS CD . 53250 1 689 . 1 . 1 86 86 LYS CE C 13 41.921 0.100 . 1 . . . . . 86 LYS CE . 53250 1 690 . 1 . 1 86 86 LYS N N 15 120.003 0.010 . 1 . . . . . 86 LYS N . 53250 1 691 . 1 . 1 87 87 ARG H H 1 7.619 0.005 . 1 . . . . . 87 ARG H . 53250 1 692 . 1 . 1 87 87 ARG C C 13 178.311 0.100 . 1 . . . . . 87 ARG C . 53250 1 693 . 1 . 1 87 87 ARG CA C 13 58.773 0.100 . 1 . . . . . 87 ARG CA . 53250 1 694 . 1 . 1 87 87 ARG CB C 13 29.920 0.100 . 1 . . . . . 87 ARG CB . 53250 1 695 . 1 . 1 87 87 ARG CG C 13 27.407 0.100 . 1 . . . . . 87 ARG CG . 53250 1 696 . 1 . 1 87 87 ARG N N 15 120.344 0.010 . 1 . . . . . 87 ARG N . 53250 1 697 . 1 . 1 88 88 LEU H H 1 8.194 0.005 . 1 . . . . . 88 LEU H . 53250 1 698 . 1 . 1 88 88 LEU HA H 1 4.114 0.005 . 1 . . . . . 88 LEU HA . 53250 1 699 . 1 . 1 88 88 LEU C C 13 178.493 0.100 . 1 . . . . . 88 LEU C . 53250 1 700 . 1 . 1 88 88 LEU CA C 13 57.413 0.100 . 1 . . . . . 88 LEU CA . 53250 1 701 . 1 . 1 88 88 LEU CB C 13 42.201 0.100 . 1 . . . . . 88 LEU CB . 53250 1 702 . 1 . 1 88 88 LEU CG C 13 26.869 0.100 . 1 . . . . . 88 LEU CG . 53250 1 703 . 1 . 1 88 88 LEU CD1 C 13 25.158 0.100 . 2 . . . . . 88 LEU CD1 . 53250 1 704 . 1 . 1 88 88 LEU CD2 C 13 24.144 0.100 . 2 . . . . . 88 LEU CD2 . 53250 1 705 . 1 . 1 88 88 LEU N N 15 121.137 0.010 . 1 . . . . . 88 LEU N . 53250 1 706 . 1 . 1 89 89 LYS H H 1 7.884 0.005 . 1 . . . . . 89 LYS H . 53250 1 707 . 1 . 1 89 89 LYS HA H 1 3.980 0.005 . 1 . . . . . 89 LYS HA . 53250 1 708 . 1 . 1 89 89 LYS C C 13 178.145 0.100 . 1 . . . . . 89 LYS C . 53250 1 709 . 1 . 1 89 89 LYS CA C 13 58.629 0.100 . 1 . . . . . 89 LYS CA . 53250 1 710 . 1 . 1 89 89 LYS CB C 13 32.277 0.100 . 1 . . . . . 89 LYS CB . 53250 1 711 . 1 . 1 89 89 LYS CG C 13 25.300 0.100 . 1 . . . . . 89 LYS CG . 53250 1 712 . 1 . 1 89 89 LYS CD C 13 29.345 0.100 . 1 . . . . . 89 LYS CD . 53250 1 713 . 1 . 1 89 89 LYS CE C 13 41.980 0.100 . 1 . . . . . 89 LYS CE . 53250 1 714 . 1 . 1 89 89 LYS N N 15 119.332 0.010 . 1 . . . . . 89 LYS N . 53250 1 715 . 1 . 1 90 90 ARG H H 1 7.588 0.005 . 1 . . . . . 90 ARG H . 53250 1 716 . 1 . 1 90 90 ARG HA H 1 4.114 0.005 . 1 . . . . . 90 ARG HA . 53250 1 717 . 1 . 1 90 90 ARG HB2 H 1 1.843 0.005 . 2 . . . . . 90 ARG HB2 . 53250 1 718 . 1 . 1 90 90 ARG HB3 H 1 1.821 0.005 . 2 . . . . . 90 ARG HB3 . 53250 1 719 . 1 . 1 90 90 ARG C C 13 177.291 0.100 . 1 . . . . . 90 ARG C . 53250 1 720 . 1 . 1 90 90 ARG CA C 13 57.576 0.100 . 1 . . . . . 90 ARG CA . 53250 1 721 . 1 . 1 90 90 ARG CB C 13 30.163 0.100 . 1 . . . . . 90 ARG CB . 53250 1 722 . 1 . 1 90 90 ARG CG C 13 27.194 0.100 . 1 . . . . . 90 ARG CG . 53250 1 723 . 1 . 1 90 90 ARG CD C 13 43.366 0.100 . 1 . . . . . 90 ARG CD . 53250 1 724 . 1 . 1 90 90 ARG N N 15 119.644 0.010 . 1 . . . . . 90 ARG N . 53250 1 725 . 1 . 1 91 91 MET H H 1 7.974 0.005 . 1 . . . . . 91 MET H . 53250 1 726 . 1 . 1 91 91 MET HA H 1 4.173 0.005 . 1 . . . . . 91 MET HA . 53250 1 727 . 1 . 1 91 91 MET HB2 H 1 2.033 0.005 . 2 . . . . . 91 MET HB2 . 53250 1 728 . 1 . 1 91 91 MET HB3 H 1 2.019 0.005 . 2 . . . . . 91 MET HB3 . 53250 1 729 . 1 . 1 91 91 MET HG2 H 1 2.508 0.005 . 2 . . . . . 91 MET HG2 . 53250 1 730 . 1 . 1 91 91 MET HG3 H 1 2.480 0.005 . 2 . . . . . 91 MET HG3 . 53250 1 731 . 1 . 1 91 91 MET C C 13 177.002 0.100 . 1 . . . . . 91 MET C . 53250 1 732 . 1 . 1 91 91 MET CA C 13 57.124 0.100 . 1 . . . . . 91 MET CA . 53250 1 733 . 1 . 1 91 91 MET CB C 13 33.081 0.100 . 1 . . . . . 91 MET CB . 53250 1 734 . 1 . 1 91 91 MET CG C 13 31.935 0.100 . 1 . . . . . 91 MET CG . 53250 1 735 . 1 . 1 91 91 MET N N 15 120.063 0.010 . 1 . . . . . 91 MET N . 53250 1 736 . 1 . 1 92 92 ARG H H 1 8.014 0.005 . 1 . . . . . 92 ARG H . 53250 1 737 . 1 . 1 92 92 ARG HA H 1 4.199 0.005 . 1 . . . . . 92 ARG HA . 53250 1 738 . 1 . 1 92 92 ARG HD2 H 1 3.126 0.005 . 2 . . . . . 92 ARG HD2 . 53250 1 739 . 1 . 1 92 92 ARG HD3 H 1 3.108 0.005 . 2 . . . . . 92 ARG HD3 . 53250 1 740 . 1 . 1 92 92 ARG C C 13 176.750 0.100 . 1 . . . . . 92 ARG C . 53250 1 741 . 1 . 1 92 92 ARG CA C 13 56.874 0.100 . 1 . . . . . 92 ARG CA . 53250 1 742 . 1 . 1 92 92 ARG CB C 13 30.475 0.100 . 1 . . . . . 92 ARG CB . 53250 1 743 . 1 . 1 92 92 ARG CG C 13 27.265 0.100 . 1 . . . . . 92 ARG CG . 53250 1 744 . 1 . 1 92 92 ARG CD C 13 43.377 0.100 . 1 . . . . . 92 ARG CD . 53250 1 745 . 1 . 1 92 92 ARG N N 15 120.934 0.010 . 1 . . . . . 92 ARG N . 53250 1 746 . 1 . 1 93 93 ARG H H 1 8.037 0.005 . 1 . . . . . 93 ARG H . 53250 1 747 . 1 . 1 93 93 ARG HA H 1 4.184 0.005 . 1 . . . . . 93 ARG HA . 53250 1 748 . 1 . 1 93 93 ARG HB2 H 1 1.820 0.005 . 2 . . . . . 93 ARG HB2 . 53250 1 749 . 1 . 1 93 93 ARG HB3 H 1 1.800 0.005 . 2 . . . . . 93 ARG HB3 . 53250 1 750 . 1 . 1 93 93 ARG HG2 H 1 1.589 0.005 . 2 . . . . . 93 ARG HG2 . 53250 1 751 . 1 . 1 93 93 ARG HG3 H 1 1.574 0.005 . 2 . . . . . 93 ARG HG3 . 53250 1 752 . 1 . 1 93 93 ARG HD2 H 1 2.926 0.005 . 2 . . . . . 93 ARG HD2 . 53250 1 753 . 1 . 1 93 93 ARG HD3 H 1 2.907 0.005 . 2 . . . . . 93 ARG HD3 . 53250 1 754 . 1 . 1 93 93 ARG C C 13 176.714 0.100 . 1 . . . . . 93 ARG C . 53250 1 755 . 1 . 1 93 93 ARG CA C 13 56.911 0.100 . 1 . . . . . 93 ARG CA . 53250 1 756 . 1 . 1 93 93 ARG CB C 13 30.616 0.100 . 1 . . . . . 93 ARG CB . 53250 1 757 . 1 . 1 93 93 ARG CG C 13 27.099 0.100 . 1 . . . . . 93 ARG CG . 53250 1 758 . 1 . 1 93 93 ARG CD C 13 43.354 0.100 . 1 . . . . . 93 ARG CD . 53250 1 759 . 1 . 1 93 93 ARG N N 15 122.098 0.010 . 1 . . . . . 93 ARG N . 53250 1 760 . 1 . 1 94 94 GLU H H 1 8.283 0.005 . 1 . . . . . 94 GLU H . 53250 1 761 . 1 . 1 94 94 GLU HA H 1 4.175 0.005 . 1 . . . . . 94 GLU HA . 53250 1 762 . 1 . 1 94 94 GLU HB2 H 1 1.941 0.005 . 2 . . . . . 94 GLU HB2 . 53250 1 763 . 1 . 1 94 94 GLU HB3 H 1 1.929 0.005 . 2 . . . . . 94 GLU HB3 . 53250 1 764 . 1 . 1 94 94 GLU HG2 H 1 2.208 0.005 . 2 . . . . . 94 GLU HG2 . 53250 1 765 . 1 . 1 94 94 GLU HG3 H 1 2.191 0.005 . 2 . . . . . 94 GLU HG3 . 53250 1 766 . 1 . 1 94 94 GLU C C 13 176.671 0.100 . 1 . . . . . 94 GLU C . 53250 1 767 . 1 . 1 94 94 GLU CA C 13 56.730 0.100 . 1 . . . . . 94 GLU CA . 53250 1 768 . 1 . 1 94 94 GLU CB C 13 30.168 0.100 . 1 . . . . . 94 GLU CB . 53250 1 769 . 1 . 1 94 94 GLU CG C 13 36.260 0.100 . 1 . . . . . 94 GLU CG . 53250 1 770 . 1 . 1 94 94 GLU N N 15 121.926 0.010 . 1 . . . . . 94 GLU N . 53250 1 771 . 1 . 1 95 95 GLU H H 1 8.198 0.005 . 1 . . . . . 95 GLU H . 53250 1 772 . 1 . 1 95 95 GLU HA H 1 4.178 0.005 . 1 . . . . . 95 GLU HA . 53250 1 773 . 1 . 1 95 95 GLU HB2 H 1 1.945 0.005 . 2 . . . . . 95 GLU HB2 . 53250 1 774 . 1 . 1 95 95 GLU HB3 H 1 1.934 0.005 . 2 . . . . . 95 GLU HB3 . 53250 1 775 . 1 . 1 95 95 GLU HG2 H 1 2.217 0.005 . 2 . . . . . 95 GLU HG2 . 53250 1 776 . 1 . 1 95 95 GLU HG3 H 1 2.200 0.005 . 2 . . . . . 95 GLU HG3 . 53250 1 777 . 1 . 1 95 95 GLU C C 13 176.578 0.100 . 1 . . . . . 95 GLU C . 53250 1 778 . 1 . 1 95 95 GLU CA C 13 56.690 0.100 . 1 . . . . . 95 GLU CA . 53250 1 779 . 1 . 1 95 95 GLU CB C 13 30.220 0.100 . 1 . . . . . 95 GLU CB . 53250 1 780 . 1 . 1 95 95 GLU CG C 13 36.268 0.100 . 1 . . . . . 95 GLU CG . 53250 1 781 . 1 . 1 95 95 GLU N N 15 123.012 0.010 . 1 . . . . . 95 GLU N . 53250 1 782 . 1 . 1 96 96 LYS H H 1 8.209 0.005 . 1 . . . . . 96 LYS H . 53250 1 783 . 1 . 1 96 96 LYS HA H 1 4.204 0.005 . 1 . . . . . 96 LYS HA . 53250 1 784 . 1 . 1 96 96 LYS C C 13 176.613 0.100 . 1 . . . . . 96 LYS C . 53250 1 785 . 1 . 1 96 96 LYS CA C 13 56.387 0.100 . 1 . . . . . 96 LYS CA . 53250 1 786 . 1 . 1 96 96 LYS CB C 13 32.811 0.100 . 1 . . . . . 96 LYS CB . 53250 1 787 . 1 . 1 96 96 LYS CG C 13 24.673 0.100 . 1 . . . . . 96 LYS CG . 53250 1 788 . 1 . 1 96 96 LYS CD C 13 29.049 0.100 . 1 . . . . . 96 LYS CD . 53250 1 789 . 1 . 1 96 96 LYS CE C 13 41.866 0.100 . 1 . . . . . 96 LYS CE . 53250 1 790 . 1 . 1 96 96 LYS N N 15 123.097 0.010 . 1 . . . . . 96 LYS N . 53250 1 791 . 1 . 1 97 97 LYS H H 1 8.244 0.005 . 1 . . . . . 97 LYS H . 53250 1 792 . 1 . 1 97 97 LYS HA H 1 4.249 0.005 . 1 . . . . . 97 LYS HA . 53250 1 793 . 1 . 1 97 97 LYS HB2 H 1 1.774 0.005 . 2 . . . . . 97 LYS HB2 . 53250 1 794 . 1 . 1 97 97 LYS HB3 H 1 1.742 0.005 . 2 . . . . . 97 LYS HB3 . 53250 1 795 . 1 . 1 97 97 LYS HG2 H 1 1.376 0.005 . 2 . . . . . 97 LYS HG2 . 53250 1 796 . 1 . 1 97 97 LYS HG3 H 1 1.356 0.005 . 2 . . . . . 97 LYS HG3 . 53250 1 797 . 1 . 1 97 97 LYS HD2 H 1 1.641 0.005 . 2 . . . . . 97 LYS HD2 . 53250 1 798 . 1 . 1 97 97 LYS HD3 H 1 1.578 0.005 . 2 . . . . . 97 LYS HD3 . 53250 1 799 . 1 . 1 97 97 LYS C C 13 176.647 0.100 . 1 . . . . . 97 LYS C . 53250 1 800 . 1 . 1 97 97 LYS CA C 13 56.400 0.100 . 1 . . . . . 97 LYS CA . 53250 1 801 . 1 . 1 97 97 LYS CB C 13 32.983 0.100 . 1 . . . . . 97 LYS CB . 53250 1 802 . 1 . 1 97 97 LYS CG C 13 24.676 0.100 . 1 . . . . . 97 LYS CG . 53250 1 803 . 1 . 1 97 97 LYS CD C 13 29.011 0.100 . 1 . . . . . 97 LYS CD . 53250 1 804 . 1 . 1 97 97 LYS CE C 13 42.004 0.100 . 1 . . . . . 97 LYS CE . 53250 1 805 . 1 . 1 97 97 LYS N N 15 123.399 0.010 . 1 . . . . . 97 LYS N . 53250 1 806 . 1 . 1 98 98 SER H H 1 8.213 0.005 . 1 . . . . . 98 SER H . 53250 1 807 . 1 . 1 98 98 SER HA H 1 4.315 0.005 . 1 . . . . . 98 SER HA . 53250 1 808 . 1 . 1 98 98 SER HB2 H 1 3.803 0.005 . 2 . . . . . 98 SER HB2 . 53250 1 809 . 1 . 1 98 98 SER HB3 H 1 3.794 0.005 . 2 . . . . . 98 SER HB3 . 53250 1 810 . 1 . 1 98 98 SER C C 13 174.375 0.100 . 1 . . . . . 98 SER C . 53250 1 811 . 1 . 1 98 98 SER CA C 13 58.307 0.100 . 1 . . . . . 98 SER CA . 53250 1 812 . 1 . 1 98 98 SER CB C 13 63.812 0.100 . 1 . . . . . 98 SER CB . 53250 1 813 . 1 . 1 98 98 SER N N 15 117.633 0.010 . 1 . . . . . 98 SER N . 53250 1 814 . 1 . 1 99 99 ALA H H 1 8.243 0.005 . 1 . . . . . 99 ALA H . 53250 1 815 . 1 . 1 99 99 ALA HA H 1 4.213 0.005 . 1 . . . . . 99 ALA HA . 53250 1 816 . 1 . 1 99 99 ALA HB1 H 1 1.282 0.005 . 1 . . . . . 99 ALA MB . 53250 1 817 . 1 . 1 99 99 ALA HB2 H 1 1.282 0.005 . 1 . . . . . 99 ALA MB . 53250 1 818 . 1 . 1 99 99 ALA HB3 H 1 1.282 0.005 . 1 . . . . . 99 ALA MB . 53250 1 819 . 1 . 1 99 99 ALA C C 13 177.279 0.100 . 1 . . . . . 99 ALA C . 53250 1 820 . 1 . 1 99 99 ALA CA C 13 52.537 0.100 . 1 . . . . . 99 ALA CA . 53250 1 821 . 1 . 1 99 99 ALA CB C 13 19.087 0.100 . 1 . . . . . 99 ALA CB . 53250 1 822 . 1 . 1 99 99 ALA N N 15 126.904 0.010 . 1 . . . . . 99 ALA N . 53250 1 823 . 1 . 1 100 100 ALA H H 1 8.031 0.005 . 1 . . . . . 100 ALA H . 53250 1 824 . 1 . 1 100 100 ALA HA H 1 4.125 0.005 . 1 . . . . . 100 ALA HA . 53250 1 825 . 1 . 1 100 100 ALA HB1 H 1 1.180 0.005 . 1 . . . . . 100 ALA MB . 53250 1 826 . 1 . 1 100 100 ALA HB2 H 1 1.180 0.005 . 1 . . . . . 100 ALA MB . 53250 1 827 . 1 . 1 100 100 ALA HB3 H 1 1.180 0.005 . 1 . . . . . 100 ALA MB . 53250 1 828 . 1 . 1 100 100 ALA C C 13 177.245 0.100 . 1 . . . . . 100 ALA C . 53250 1 829 . 1 . 1 100 100 ALA CA C 13 52.507 0.100 . 1 . . . . . 100 ALA CA . 53250 1 830 . 1 . 1 100 100 ALA CB C 13 19.005 0.100 . 1 . . . . . 100 ALA CB . 53250 1 831 . 1 . 1 100 100 ALA N N 15 123.287 0.010 . 1 . . . . . 100 ALA N . 53250 1 832 . 1 . 1 101 101 PHE H H 1 7.893 0.005 . 1 . . . . . 101 PHE H . 53250 1 833 . 1 . 1 101 101 PHE HA H 1 4.513 0.005 . 1 . . . . . 101 PHE HA . 53250 1 834 . 1 . 1 101 101 PHE HB2 H 1 3.103 0.005 . 2 . . . . . 101 PHE HB2 . 53250 1 835 . 1 . 1 101 101 PHE HB3 H 1 2.937 0.005 . 2 . . . . . 101 PHE HB3 . 53250 1 836 . 1 . 1 101 101 PHE C C 13 175.079 0.100 . 1 . . . . . 101 PHE C . 53250 1 837 . 1 . 1 101 101 PHE CA C 13 57.333 0.100 . 1 . . . . . 101 PHE CA . 53250 1 838 . 1 . 1 101 101 PHE CB C 13 39.484 0.100 . 1 . . . . . 101 PHE CB . 53250 1 839 . 1 . 1 101 101 PHE N N 15 119.332 0.010 . 1 . . . . . 101 PHE N . 53250 1 840 . 1 . 1 102 102 ALA H H 1 7.978 0.005 . 1 . . . . . 102 ALA H . 53250 1 841 . 1 . 1 102 102 ALA HA H 1 4.238 0.005 . 1 . . . . . 102 ALA HA . 53250 1 842 . 1 . 1 102 102 ALA HB1 H 1 1.275 0.005 . 1 . . . . . 102 ALA MB . 53250 1 843 . 1 . 1 102 102 ALA HB2 H 1 1.275 0.005 . 1 . . . . . 102 ALA MB . 53250 1 844 . 1 . 1 102 102 ALA HB3 H 1 1.275 0.005 . 1 . . . . . 102 ALA MB . 53250 1 845 . 1 . 1 102 102 ALA C C 13 176.150 0.100 . 1 . . . . . 102 ALA C . 53250 1 846 . 1 . 1 102 102 ALA CA C 13 52.298 0.100 . 1 . . . . . 102 ALA CA . 53250 1 847 . 1 . 1 102 102 ALA CB C 13 19.378 0.100 . 1 . . . . . 102 ALA CB . 53250 1 848 . 1 . 1 102 102 ALA N N 15 126.789 0.010 . 1 . . . . . 102 ALA N . 53250 1 849 . 1 . 1 103 103 LYS H H 1 7.737 0.005 . 1 . . . . . 103 LYS H . 53250 1 850 . 1 . 1 103 103 LYS C C 13 181.194 0.100 . 1 . . . . . 103 LYS C . 53250 1 851 . 1 . 1 103 103 LYS CA C 13 57.593 0.100 . 1 . . . . . 103 LYS CA . 53250 1 852 . 1 . 1 103 103 LYS CB C 13 33.677 0.100 . 1 . . . . . 103 LYS CB . 53250 1 853 . 1 . 1 103 103 LYS N N 15 126.758 0.010 . 1 . . . . . 103 LYS N . 53250 1 stop_ save_