data_50804 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50804 _Entry.Title ; 1H, 13C and 15N chemical shift assignments of RNA binding protein RBM3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-07 _Entry.Accession_date 2021-03-07 _Entry.Last_release_date 2021-03-07 _Entry.Original_release_date 2021-03-07 _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 1 _Entry.Generated_software_label $software_1 _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 Soumendu Boral . . . 0000-0002-0272-8164 50804 2 Sayantani Roy . . . . 50804 3 Aditya Basak . J. . . 50804 4 Snigdha Maiti . . . . 50804 5 Soumya De . . . 0000-0002-4347-3137 50804 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50804 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 50804 '15N chemical shifts' 90 50804 '1H chemical shifts' 522 50804 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-06-02 2021-03-07 update BMRB 'update entry citation' 50804 1 . . 2021-12-13 2021-03-07 original author 'original release' 50804 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50804 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34837346 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and dynamic studies of the human RNA binding protein RBM3 reveals the molecular basis of its oligomerization and RNA recognition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 289 _Citation.Journal_issue 10 _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 2847 _Citation.Page_last 2864 _Citation.Year 2021 _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 Sayantani Roy S. . . . 50804 1 2 Soumendu Boral S. . . . 50804 1 3 Snigdha Maiti S. . . . 50804 1 4 Tushar Kushwaha T. . . . 50804 1 5 Aditya Basak A. J. . . 50804 1 6 Woonghee Lee W. . . . 50804 1 7 Amit Basak A. . . . 50804 1 8 Shivajirao Gholap S. L. . . 50804 1 9 Krishna Inampudi K. K. . . 50804 1 10 Soumya De S. . . . 50804 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50804 _Assembly.ID 1 _Assembly.Name 'RNA Recognition Motif' _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 9274.26 _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 'RNA Recognition Motif' 1 $entity_1 . . yes native no no . . . 50804 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNP P98179 . . . . . . 50804 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50804 _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 ; MSSEEGKLFVGGLNFNTDEQ ALEDHFSSFGPISEVVVVKD RETQRSRGFGFITFTNPEHA SVAMRAMNGESLDGRQIRVD HAGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 UNP P98179 . . . . . . . . . . . . . . . . 50804 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 . 50804 1 2 . SER . 50804 1 3 . SER . 50804 1 4 . GLU . 50804 1 5 . GLU . 50804 1 6 . GLY . 50804 1 7 . LYS . 50804 1 8 . LEU . 50804 1 9 . PHE . 50804 1 10 . VAL . 50804 1 11 . GLY . 50804 1 12 . GLY . 50804 1 13 . LEU . 50804 1 14 . ASN . 50804 1 15 . PHE . 50804 1 16 . ASN . 50804 1 17 . THR . 50804 1 18 . ASP . 50804 1 19 . GLU . 50804 1 20 . GLN . 50804 1 21 . ALA . 50804 1 22 . LEU . 50804 1 23 . GLU . 50804 1 24 . ASP . 50804 1 25 . HIS . 50804 1 26 . PHE . 50804 1 27 . SER . 50804 1 28 . SER . 50804 1 29 . PHE . 50804 1 30 . GLY . 50804 1 31 . PRO . 50804 1 32 . ILE . 50804 1 33 . SER . 50804 1 34 . GLU . 50804 1 35 . VAL . 50804 1 36 . VAL . 50804 1 37 . VAL . 50804 1 38 . VAL . 50804 1 39 . LYS . 50804 1 40 . ASP . 50804 1 41 . ARG . 50804 1 42 . GLU . 50804 1 43 . THR . 50804 1 44 . GLN . 50804 1 45 . ARG . 50804 1 46 . SER . 50804 1 47 . ARG . 50804 1 48 . GLY . 50804 1 49 . PHE . 50804 1 50 . GLY . 50804 1 51 . PHE . 50804 1 52 . ILE . 50804 1 53 . THR . 50804 1 54 . PHE . 50804 1 55 . THR . 50804 1 56 . ASN . 50804 1 57 . PRO . 50804 1 58 . GLU . 50804 1 59 . HIS . 50804 1 60 . ALA . 50804 1 61 . SER . 50804 1 62 . VAL . 50804 1 63 . ALA . 50804 1 64 . MET . 50804 1 65 . ARG . 50804 1 66 . ALA . 50804 1 67 . MET . 50804 1 68 . ASN . 50804 1 69 . GLY . 50804 1 70 . GLU . 50804 1 71 . SER . 50804 1 72 . LEU . 50804 1 73 . ASP . 50804 1 74 . GLY . 50804 1 75 . ARG . 50804 1 76 . GLN . 50804 1 77 . ILE . 50804 1 78 . ARG . 50804 1 79 . VAL . 50804 1 80 . ASP . 50804 1 81 . HIS . 50804 1 82 . ALA . 50804 1 83 . GLY . 50804 1 84 . LYS . 50804 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 50804 1 . SER 2 2 50804 1 . SER 3 3 50804 1 . GLU 4 4 50804 1 . GLU 5 5 50804 1 . GLY 6 6 50804 1 . LYS 7 7 50804 1 . LEU 8 8 50804 1 . PHE 9 9 50804 1 . VAL 10 10 50804 1 . GLY 11 11 50804 1 . GLY 12 12 50804 1 . LEU 13 13 50804 1 . ASN 14 14 50804 1 . PHE 15 15 50804 1 . ASN 16 16 50804 1 . THR 17 17 50804 1 . ASP 18 18 50804 1 . GLU 19 19 50804 1 . GLN 20 20 50804 1 . ALA 21 21 50804 1 . LEU 22 22 50804 1 . GLU 23 23 50804 1 . ASP 24 24 50804 1 . HIS 25 25 50804 1 . PHE 26 26 50804 1 . SER 27 27 50804 1 . SER 28 28 50804 1 . PHE 29 29 50804 1 . GLY 30 30 50804 1 . PRO 31 31 50804 1 . ILE 32 32 50804 1 . SER 33 33 50804 1 . GLU 34 34 50804 1 . VAL 35 35 50804 1 . VAL 36 36 50804 1 . VAL 37 37 50804 1 . VAL 38 38 50804 1 . LYS 39 39 50804 1 . ASP 40 40 50804 1 . ARG 41 41 50804 1 . GLU 42 42 50804 1 . THR 43 43 50804 1 . GLN 44 44 50804 1 . ARG 45 45 50804 1 . SER 46 46 50804 1 . ARG 47 47 50804 1 . GLY 48 48 50804 1 . PHE 49 49 50804 1 . GLY 50 50 50804 1 . PHE 51 51 50804 1 . ILE 52 52 50804 1 . THR 53 53 50804 1 . PHE 54 54 50804 1 . THR 55 55 50804 1 . ASN 56 56 50804 1 . PRO 57 57 50804 1 . GLU 58 58 50804 1 . HIS 59 59 50804 1 . ALA 60 60 50804 1 . SER 61 61 50804 1 . VAL 62 62 50804 1 . ALA 63 63 50804 1 . MET 64 64 50804 1 . ARG 65 65 50804 1 . ALA 66 66 50804 1 . MET 67 67 50804 1 . ASN 68 68 50804 1 . GLY 69 69 50804 1 . GLU 70 70 50804 1 . SER 71 71 50804 1 . LEU 72 72 50804 1 . ASP 73 73 50804 1 . GLY 74 74 50804 1 . ARG 75 75 50804 1 . GLN 76 76 50804 1 . ILE 77 77 50804 1 . ARG 78 78 50804 1 . VAL 79 79 50804 1 . ASP 80 80 50804 1 . HIS 81 81 50804 1 . ALA 82 82 50804 1 . GLY 83 83 50804 1 . LYS 84 84 50804 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 50804 _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 . . . . . . . . . . . . 'UniProt entry P98179/RBM3_HUMAN' 50804 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 50804 _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-28(a) . . . 50804 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50804 _Sample.ID 1 _Sample.Name 'RNA Binding Motif 3 protein' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'RNA Recognition Motif' '[U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 50804 1 2 'RNA Recognition Motif' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 50804 1 3 'RNA Recognition Motif' '[U-10% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 50804 1 4 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 50804 1 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 50804 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 50804 _Sample_condition_list.ID 1 _Sample_condition_list.Name '10 mM sodium phosphate buffer (pH 6.5) and 200 mM NaCl' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 50804 1 pressure 1 . atm 50804 1 temperature 298 . K 50804 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50804 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50804 1 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 50804 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III 600 MHz' _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 50804 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 1 8 '3D (CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50804 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 50804 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 external direct 1 . . . . . 50804 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50804 1 N 15 DSS nitrogen . . . . ppm 0 external direct 1 . . . . . 50804 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 50804 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chemical_shifts_RRM _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' . . . 50804 1 2 '2D 1H-13C HSQC' . . . 50804 1 3 '3D CBCA(CO)NH' . . . 50804 1 4 '3D HNCACB' . . . 50804 1 5 '3D HNCO' . . . 50804 1 6 '3D HN(CA)CO' . . . 50804 1 7 '3D HBHA(CO)NH' . . . 50804 1 8 '3D (CCO)NH' . . . 50804 1 9 '3D HCCH-TOCSY' . . . 50804 1 10 '3D 1H-15N TOCSY' . . . 50804 1 11 '3D 1H-15N NOESY' . . . 50804 1 12 '3D 1H-13C NOESY' . . . 50804 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 . . 50804 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 1 1 MET HA H 1 4.496 0.00 . . . . . . . 1 MET HA . 50804 1 2 . 1 . 1 1 1 MET HB2 H 1 2.050 0.00 . . . . . . . 1 MET HB . 50804 1 3 . 1 . 1 1 1 MET HB3 H 1 2.050 0.00 . . . . . . . 1 MET HB . 50804 1 4 . 1 . 1 1 1 MET C C 13 176.105 0.00 . . . . . . . 1 MET C . 50804 1 5 . 1 . 1 1 1 MET CA C 13 54.915 0.02 . . . . . . . 1 MET CA . 50804 1 6 . 1 . 1 1 1 MET CB C 13 32.231 0.01 . . . . . . . 1 MET CB . 50804 1 7 . 1 . 1 2 2 SER H H 1 8.338 0.00 . . . . . . . 2 SER H . 50804 1 8 . 1 . 1 2 2 SER HA H 1 4.485 0.01 . . . . . . . 2 SER HA . 50804 1 9 . 1 . 1 2 2 SER HB2 H 1 3.871 0.01 . . . . . . . 2 SER HB . 50804 1 10 . 1 . 1 2 2 SER HB3 H 1 3.871 0.01 . . . . . . . 2 SER HB . 50804 1 11 . 1 . 1 2 2 SER C C 13 174.599 0.01 . . . . . . . 2 SER C . 50804 1 12 . 1 . 1 2 2 SER CA C 13 57.803 0.04 . . . . . . . 2 SER CA . 50804 1 13 . 1 . 1 2 2 SER CB C 13 63.419 0.03 . . . . . . . 2 SER CB . 50804 1 14 . 1 . 1 2 2 SER N N 15 117.175 0.08 . . . . . . . 2 SER N . 50804 1 15 . 1 . 1 3 3 SER H H 1 8.373 0.00 . . . . . . . 3 SER H . 50804 1 16 . 1 . 1 3 3 SER HA H 1 4.456 0.01 . . . . . . . 3 SER HA . 50804 1 17 . 1 . 1 3 3 SER HB2 H 1 3.877 0.01 . . . . . . . 3 SER HB . 50804 1 18 . 1 . 1 3 3 SER HB3 H 1 3.877 0.01 . . . . . . . 3 SER HB . 50804 1 19 . 1 . 1 3 3 SER C C 13 174.834 0.04 . . . . . . . 3 SER C . 50804 1 20 . 1 . 1 3 3 SER CA C 13 58.100 0.03 . . . . . . . 3 SER CA . 50804 1 21 . 1 . 1 3 3 SER CB C 13 63.284 0.03 . . . . . . . 3 SER CB . 50804 1 22 . 1 . 1 3 3 SER N N 15 117.596 0.04 . . . . . . . 3 SER N . 50804 1 23 . 1 . 1 4 4 GLU H H 1 8.498 0.00 . . . . . . . 4 GLU H . 50804 1 24 . 1 . 1 4 4 GLU HA H 1 4.332 0.00 . . . . . . . 4 GLU HA . 50804 1 25 . 1 . 1 4 4 GLU HB2 H 1 2.115 0.01 . . . . . . . 4 GLU HB2 . 50804 1 26 . 1 . 1 4 4 GLU HB3 H 1 1.922 0.00 . . . . . . . 4 GLU HB3 . 50804 1 27 . 1 . 1 4 4 GLU HG2 H 1 2.220 0.00 . . . . . . . 4 GLU HG . 50804 1 28 . 1 . 1 4 4 GLU HG3 H 1 2.220 0.00 . . . . . . . 4 GLU HG . 50804 1 29 . 1 . 1 4 4 GLU C C 13 177.013 0.00 . . . . . . . 4 GLU C . 50804 1 30 . 1 . 1 4 4 GLU CA C 13 56.145 0.05 . . . . . . . 4 GLU CA . 50804 1 31 . 1 . 1 4 4 GLU CB C 13 29.310 0.00 . . . . . . . 4 GLU CB . 50804 1 32 . 1 . 1 4 4 GLU CG C 13 35.816 0.00 . . . . . . . 4 GLU CG . 50804 1 33 . 1 . 1 4 4 GLU N N 15 122.038 0.05 . . . . . . . 4 GLU N . 50804 1 34 . 1 . 1 5 5 GLU H H 1 8.317 0.01 . . . . . . . 5 GLU H . 50804 1 35 . 1 . 1 5 5 GLU HA H 1 4.254 0.01 . . . . . . . 5 GLU HA . 50804 1 36 . 1 . 1 5 5 GLU HB2 H 1 2.041 0.01 . . . . . . . 5 GLU HB . 50804 1 37 . 1 . 1 5 5 GLU HB3 H 1 2.041 0.01 . . . . . . . 5 GLU HB . 50804 1 38 . 1 . 1 5 5 GLU HG2 H 1 2.276 0.00 . . . . . . . 5 GLU HG . 50804 1 39 . 1 . 1 5 5 GLU HG3 H 1 2.276 0.00 . . . . . . . 5 GLU HG . 50804 1 40 . 1 . 1 5 5 GLU C C 13 177.495 0.01 . . . . . . . 5 GLU C . 50804 1 41 . 1 . 1 5 5 GLU CA C 13 57.573 0.02 . . . . . . . 5 GLU CA . 50804 1 42 . 1 . 1 5 5 GLU CB C 13 29.444 0.02 . . . . . . . 5 GLU CB . 50804 1 43 . 1 . 1 5 5 GLU CG C 13 36.059 0.00 . . . . . . . 5 GLU CG . 50804 1 44 . 1 . 1 5 5 GLU N N 15 120.782 0.05 . . . . . . . 5 GLU N . 50804 1 45 . 1 . 1 6 6 GLY H H 1 8.854 0.00 . . . . . . . 6 GLY H . 50804 1 46 . 1 . 1 6 6 GLY HA2 H 1 4.191 0.01 . . . . . . . 6 GLY HA2 . 50804 1 47 . 1 . 1 6 6 GLY HA3 H 1 3.974 0.01 . . . . . . . 6 GLY HA3 . 50804 1 48 . 1 . 1 6 6 GLY C C 13 172.104 0.01 . . . . . . . 6 GLY C . 50804 1 49 . 1 . 1 6 6 GLY CA C 13 45.027 0.05 . . . . . . . 6 GLY CA . 50804 1 50 . 1 . 1 6 6 GLY N N 15 108.548 0.04 . . . . . . . 6 GLY N . 50804 1 51 . 1 . 1 7 7 LYS H H 1 7.729 0.01 . . . . . . . 7 LYS H . 50804 1 52 . 1 . 1 7 7 LYS HA H 1 5.171 0.01 . . . . . . . 7 LYS HA . 50804 1 53 . 1 . 1 7 7 LYS HB2 H 1 1.952 0.01 . . . . . . . 7 LYS HB2 . 50804 1 54 . 1 . 1 7 7 LYS HB3 H 1 1.605 0.00 . . . . . . . 7 LYS HB3 . 50804 1 55 . 1 . 1 7 7 LYS HG2 H 1 1.389 0.00 . . . . . . . 7 LYS HG2 . 50804 1 56 . 1 . 1 7 7 LYS HG3 H 1 1.311 0.00 . . . . . . . 7 LYS HG3 . 50804 1 57 . 1 . 1 7 7 LYS HD2 H 1 1.410 0.00 . . . . . . . 7 LYS HD . 50804 1 58 . 1 . 1 7 7 LYS HD3 H 1 1.410 0.00 . . . . . . . 7 LYS HD . 50804 1 59 . 1 . 1 7 7 LYS HE2 H 1 2.913 0.00 . . . . . . . 7 LYS HE . 50804 1 60 . 1 . 1 7 7 LYS HE3 H 1 2.913 0.00 . . . . . . . 7 LYS HE . 50804 1 61 . 1 . 1 7 7 LYS C C 13 175.729 0.02 . . . . . . . 7 LYS C . 50804 1 62 . 1 . 1 7 7 LYS CA C 13 55.520 0.04 . . . . . . . 7 LYS CA . 50804 1 63 . 1 . 1 7 7 LYS CB C 13 33.999 0.04 . . . . . . . 7 LYS CB . 50804 1 64 . 1 . 1 7 7 LYS CG C 13 24.145 0.01 . . . . . . . 7 LYS CG . 50804 1 65 . 1 . 1 7 7 LYS CD C 13 28.885 0.05 . . . . . . . 7 LYS CD . 50804 1 66 . 1 . 1 7 7 LYS CE C 13 40.713 0.00 . . . . . . . 7 LYS CE . 50804 1 67 . 1 . 1 7 7 LYS N N 15 121.426 0.03 . . . . . . . 7 LYS N . 50804 1 68 . 1 . 1 8 8 LEU H H 1 9.837 0.01 . . . . . . . 8 LEU H . 50804 1 69 . 1 . 1 8 8 LEU HA H 1 5.161 0.01 . . . . . . . 8 LEU HA . 50804 1 70 . 1 . 1 8 8 LEU HB2 H 1 1.703 0.01 . . . . . . . 8 LEU HB2 . 50804 1 71 . 1 . 1 8 8 LEU HB3 H 1 1.367 0.02 . . . . . . . 8 LEU HB3 . 50804 1 72 . 1 . 1 8 8 LEU HG H 1 1.832 0.01 . . . . . . . 8 LEU HG . 50804 1 73 . 1 . 1 8 8 LEU HD11 H 1 0.950 0.01 . . . . . . . 8 LEU HD1 . 50804 1 74 . 1 . 1 8 8 LEU HD12 H 1 0.950 0.01 . . . . . . . 8 LEU HD1 . 50804 1 75 . 1 . 1 8 8 LEU HD13 H 1 0.950 0.01 . . . . . . . 8 LEU HD1 . 50804 1 76 . 1 . 1 8 8 LEU HD21 H 1 0.671 0.00 . . . . . . . 8 LEU HD2 . 50804 1 77 . 1 . 1 8 8 LEU HD22 H 1 0.671 0.00 . . . . . . . 8 LEU HD2 . 50804 1 78 . 1 . 1 8 8 LEU HD23 H 1 0.671 0.00 . . . . . . . 8 LEU HD2 . 50804 1 79 . 1 . 1 8 8 LEU C C 13 176.255 0.01 . . . . . . . 8 LEU C . 50804 1 80 . 1 . 1 8 8 LEU CA C 13 52.652 0.03 . . . . . . . 8 LEU CA . 50804 1 81 . 1 . 1 8 8 LEU CB C 13 43.615 0.04 . . . . . . . 8 LEU CB . 50804 1 82 . 1 . 1 8 8 LEU CG C 13 25.854 0.00 . . . . . . . 8 LEU CG . 50804 1 83 . 1 . 1 8 8 LEU CD1 C 13 25.475 0.04 . . . . . . . 8 LEU CD1 . 50804 1 84 . 1 . 1 8 8 LEU CD2 C 13 22.295 0.03 . . . . . . . 8 LEU CD2 . 50804 1 85 . 1 . 1 8 8 LEU N N 15 128.567 0.11 . . . . . . . 8 LEU N . 50804 1 86 . 1 . 1 9 9 PHE H H 1 9.157 0.01 . . . . . . . 9 PHE H . 50804 1 87 . 1 . 1 9 9 PHE HA H 1 4.720 0.00 . . . . . . . 9 PHE HA . 50804 1 88 . 1 . 1 9 9 PHE HB2 H 1 3.086 0.00 . . . . . . . 9 PHE HB2 . 50804 1 89 . 1 . 1 9 9 PHE HB3 H 1 2.646 0.00 . . . . . . . 9 PHE HB3 . 50804 1 90 . 1 . 1 9 9 PHE C C 13 173.240 0.00 . . . . . . . 9 PHE C . 50804 1 91 . 1 . 1 9 9 PHE CA C 13 56.236 0.05 . . . . . . . 9 PHE CA . 50804 1 92 . 1 . 1 9 9 PHE CB C 13 40.832 0.09 . . . . . . . 9 PHE CB . 50804 1 93 . 1 . 1 9 9 PHE N N 15 123.533 0.05 . . . . . . . 9 PHE N . 50804 1 94 . 1 . 1 10 10 VAL H H 1 7.883 0.01 . . . . . . . 10 VAL H . 50804 1 95 . 1 . 1 10 10 VAL HA H 1 4.756 0.01 . . . . . . . 10 VAL HA . 50804 1 96 . 1 . 1 10 10 VAL HB H 1 1.402 0.01 . . . . . . . 10 VAL HB . 50804 1 97 . 1 . 1 10 10 VAL HG11 H 1 0.700 0.01 . . . . . . . 10 VAL HG1 . 50804 1 98 . 1 . 1 10 10 VAL HG12 H 1 0.700 0.01 . . . . . . . 10 VAL HG1 . 50804 1 99 . 1 . 1 10 10 VAL HG13 H 1 0.700 0.01 . . . . . . . 10 VAL HG1 . 50804 1 100 . 1 . 1 10 10 VAL HG21 H 1 0.496 0.01 . . . . . . . 10 VAL HG2 . 50804 1 101 . 1 . 1 10 10 VAL HG22 H 1 0.496 0.01 . . . . . . . 10 VAL HG2 . 50804 1 102 . 1 . 1 10 10 VAL HG23 H 1 0.496 0.01 . . . . . . . 10 VAL HG2 . 50804 1 103 . 1 . 1 10 10 VAL C C 13 173.400 0.00 . . . . . . . 10 VAL C . 50804 1 104 . 1 . 1 10 10 VAL CA C 13 59.063 0.05 . . . . . . . 10 VAL CA . 50804 1 105 . 1 . 1 10 10 VAL CB C 13 32.548 0.12 . . . . . . . 10 VAL CB . 50804 1 106 . 1 . 1 10 10 VAL CG1 C 13 21.855 0.05 . . . . . . . 10 VAL CG1 . 50804 1 107 . 1 . 1 10 10 VAL CG2 C 13 19.924 0.07 . . . . . . . 10 VAL CG2 . 50804 1 108 . 1 . 1 10 10 VAL N N 15 125.950 0.09 . . . . . . . 10 VAL N . 50804 1 109 . 1 . 1 11 11 GLY H H 1 8.985 0.01 . . . . . . . 11 GLY H . 50804 1 110 . 1 . 1 11 11 GLY HA2 H 1 4.663 0.02 . . . . . . . 11 GLY HA2 . 50804 1 111 . 1 . 1 11 11 GLY HA3 H 1 3.596 0.01 . . . . . . . 11 GLY HA3 . 50804 1 112 . 1 . 1 11 11 GLY C C 13 173.458 0.01 . . . . . . . 11 GLY C . 50804 1 113 . 1 . 1 11 11 GLY CA C 13 42.841 0.05 . . . . . . . 11 GLY CA . 50804 1 114 . 1 . 1 11 11 GLY N N 15 110.969 0.06 . . . . . . . 11 GLY N . 50804 1 115 . 1 . 1 12 12 GLY H H 1 8.256 0.01 . . . . . . . 12 GLY H . 50804 1 116 . 1 . 1 12 12 GLY HA2 H 1 4.177 0.01 . . . . . . . 12 GLY HA2 . 50804 1 117 . 1 . 1 12 12 GLY HA3 H 1 3.739 0.01 . . . . . . . 12 GLY HA3 . 50804 1 118 . 1 . 1 12 12 GLY C C 13 174.834 0.00 . . . . . . . 12 GLY C . 50804 1 119 . 1 . 1 12 12 GLY CA C 13 45.137 0.04 . . . . . . . 12 GLY CA . 50804 1 120 . 1 . 1 12 12 GLY N N 15 107.081 0.02 . . . . . . . 12 GLY N . 50804 1 121 . 1 . 1 13 13 LEU H H 1 7.590 0.01 . . . . . . . 13 LEU H . 50804 1 122 . 1 . 1 13 13 LEU HA H 1 4.015 0.01 . . . . . . . 13 LEU HA . 50804 1 123 . 1 . 1 13 13 LEU HB2 H 1 1.301 0.00 . . . . . . . 13 LEU HB2 . 50804 1 124 . 1 . 1 13 13 LEU HB3 H 1 0.991 0.01 . . . . . . . 13 LEU HB3 . 50804 1 125 . 1 . 1 13 13 LEU HG H 1 1.246 0.00 . . . . . . . 13 LEU HG . 50804 1 126 . 1 . 1 13 13 LEU HD11 H 1 0.422 0.00 . . . . . . . 13 LEU HD1 . 50804 1 127 . 1 . 1 13 13 LEU HD12 H 1 0.422 0.00 . . . . . . . 13 LEU HD1 . 50804 1 128 . 1 . 1 13 13 LEU HD13 H 1 0.422 0.00 . . . . . . . 13 LEU HD1 . 50804 1 129 . 1 . 1 13 13 LEU HD21 H 1 0.662 0.00 . . . . . . . 13 LEU HD2 . 50804 1 130 . 1 . 1 13 13 LEU HD22 H 1 0.662 0.00 . . . . . . . 13 LEU HD2 . 50804 1 131 . 1 . 1 13 13 LEU HD23 H 1 0.662 0.00 . . . . . . . 13 LEU HD2 . 50804 1 132 . 1 . 1 13 13 LEU C C 13 178.858 0.00 . . . . . . . 13 LEU C . 50804 1 133 . 1 . 1 13 13 LEU CA C 13 53.412 0.01 . . . . . . . 13 LEU CA . 50804 1 134 . 1 . 1 13 13 LEU CB C 13 42.443 0.00 . . . . . . . 13 LEU CB . 50804 1 135 . 1 . 1 13 13 LEU CG C 13 26.310 0.00 . . . . . . . 13 LEU CG . 50804 1 136 . 1 . 1 13 13 LEU CD1 C 13 24.979 0.02 . . . . . . . 13 LEU CD1 . 50804 1 137 . 1 . 1 13 13 LEU CD2 C 13 22.784 0.02 . . . . . . . 13 LEU CD2 . 50804 1 138 . 1 . 1 13 13 LEU N N 15 114.443 0.03 . . . . . . . 13 LEU N . 50804 1 139 . 1 . 1 14 14 ASN HA H 1 3.994 0.00 . . . . . . . 14 ASN HA . 50804 1 140 . 1 . 1 14 14 ASN HD21 H 1 8.002 0.00 . . . . . . . 14 ASN HD21 . 50804 1 141 . 1 . 1 14 14 ASN HD22 H 1 7.036 0.00 . . . . . . . 14 ASN HD22 . 50804 1 142 . 1 . 1 14 14 ASN CA C 13 52.549 0.04 . . . . . . . 14 ASN CA . 50804 1 143 . 1 . 1 14 14 ASN ND2 N 15 114.062 0.08 . . . . . . . 14 ASN ND2 . 50804 1 144 . 1 . 1 15 15 PHE H H 1 9.303 0.01 . . . . . . . 15 PHE H . 50804 1 145 . 1 . 1 15 15 PHE HA H 1 4.248 0.01 . . . . . . . 15 PHE HA . 50804 1 146 . 1 . 1 15 15 PHE HB2 H 1 3.319 0.00 . . . . . . . 15 PHE HB2 . 50804 1 147 . 1 . 1 15 15 PHE HB3 H 1 3.029 0.02 . . . . . . . 15 PHE HB3 . 50804 1 148 . 1 . 1 15 15 PHE HD1 H 1 7.321 0.00 . . . . . . . 15 PHE HD1 . 50804 1 149 . 1 . 1 15 15 PHE HD2 H 1 7.345 0.00 . . . . . . . 15 PHE HD2 . 50804 1 150 . 1 . 1 15 15 PHE C C 13 175.285 0.00 . . . . . . . 15 PHE C . 50804 1 151 . 1 . 1 15 15 PHE CA C 13 59.518 0.00 . . . . . . . 15 PHE CA . 50804 1 152 . 1 . 1 15 15 PHE CB C 13 37.167 0.00 . . . . . . . 15 PHE CB . 50804 1 153 . 1 . 1 15 15 PHE CD1 C 13 120.316 0.00 . . . . . . . 15 PHE CD1 . 50804 1 154 . 1 . 1 15 15 PHE CD2 C 13 120.347 0.00 . . . . . . . 15 PHE CD2 . 50804 1 155 . 1 . 1 15 15 PHE N N 15 120.494 0.09 . . . . . . . 15 PHE N . 50804 1 156 . 1 . 1 16 16 ASN H H 1 8.886 0.01 . . . . . . . 16 ASN H . 50804 1 157 . 1 . 1 16 16 ASN HA H 1 4.686 0.00 . . . . . . . 16 ASN HA . 50804 1 158 . 1 . 1 16 16 ASN HB2 H 1 2.746 0.00 . . . . . . . 16 ASN HB2 . 50804 1 159 . 1 . 1 16 16 ASN HB3 H 1 2.593 0.01 . . . . . . . 16 ASN HB3 . 50804 1 160 . 1 . 1 16 16 ASN HD21 H 1 7.531 0.00 . . . . . . . 16 ASN HD21 . 50804 1 161 . 1 . 1 16 16 ASN HD22 H 1 6.815 0.01 . . . . . . . 16 ASN HD22 . 50804 1 162 . 1 . 1 16 16 ASN C C 13 176.031 0.01 . . . . . . . 16 ASN C . 50804 1 163 . 1 . 1 16 16 ASN CA C 13 52.564 0.03 . . . . . . . 16 ASN CA . 50804 1 164 . 1 . 1 16 16 ASN CB C 13 38.093 0.04 . . . . . . . 16 ASN CB . 50804 1 165 . 1 . 1 16 16 ASN N N 15 114.548 0.05 . . . . . . . 16 ASN N . 50804 1 166 . 1 . 1 16 16 ASN ND2 N 15 113.456 0.06 . . . . . . . 16 ASN ND2 . 50804 1 167 . 1 . 1 17 17 THR H H 1 7.609 0.01 . . . . . . . 17 THR H . 50804 1 168 . 1 . 1 17 17 THR HA H 1 3.952 0.00 . . . . . . . 17 THR HA . 50804 1 169 . 1 . 1 17 17 THR HB H 1 3.941 0.00 . . . . . . . 17 THR HB . 50804 1 170 . 1 . 1 17 17 THR HG21 H 1 1.182 0.00 . . . . . . . 17 THR HG2 . 50804 1 171 . 1 . 1 17 17 THR HG22 H 1 1.182 0.00 . . . . . . . 17 THR HG2 . 50804 1 172 . 1 . 1 17 17 THR HG23 H 1 1.182 0.00 . . . . . . . 17 THR HG2 . 50804 1 173 . 1 . 1 17 17 THR C C 13 173.390 0.00 . . . . . . . 17 THR C . 50804 1 174 . 1 . 1 17 17 THR CA C 13 64.602 0.01 . . . . . . . 17 THR CA . 50804 1 175 . 1 . 1 17 17 THR CB C 13 67.800 0.02 . . . . . . . 17 THR CB . 50804 1 176 . 1 . 1 17 17 THR CG2 C 13 22.409 0.01 . . . . . . . 17 THR CG2 . 50804 1 177 . 1 . 1 17 17 THR N N 15 119.710 0.04 . . . . . . . 17 THR N . 50804 1 178 . 1 . 1 18 18 ASP H H 1 7.881 0.00 . . . . . . . 18 ASP H . 50804 1 179 . 1 . 1 18 18 ASP HA H 1 4.742 0.01 . . . . . . . 18 ASP HA . 50804 1 180 . 1 . 1 18 18 ASP HB2 H 1 3.119 0.01 . . . . . . . 18 ASP HB2 . 50804 1 181 . 1 . 1 18 18 ASP HB3 H 1 2.719 0.01 . . . . . . . 18 ASP HB3 . 50804 1 182 . 1 . 1 18 18 ASP C C 13 174.844 0.01 . . . . . . . 18 ASP C . 50804 1 183 . 1 . 1 18 18 ASP CA C 13 50.880 0.03 . . . . . . . 18 ASP CA . 50804 1 184 . 1 . 1 18 18 ASP CB C 13 42.267 0.03 . . . . . . . 18 ASP CB . 50804 1 185 . 1 . 1 18 18 ASP N N 15 128.912 0.06 . . . . . . . 18 ASP N . 50804 1 186 . 1 . 1 19 19 GLU H H 1 9.572 0.00 . . . . . . . 19 GLU H . 50804 1 187 . 1 . 1 19 19 GLU HA H 1 3.529 0.01 . . . . . . . 19 GLU HA . 50804 1 188 . 1 . 1 19 19 GLU HB2 H 1 2.040 0.00 . . . . . . . 19 GLU HB2 . 50804 1 189 . 1 . 1 19 19 GLU HB3 H 1 1.796 0.01 . . . . . . . 19 GLU HB3 . 50804 1 190 . 1 . 1 19 19 GLU HG2 H 1 2.636 0.01 . . . . . . . 19 GLU HG2 . 50804 1 191 . 1 . 1 19 19 GLU HG3 H 1 2.099 0.00 . . . . . . . 19 GLU HG3 . 50804 1 192 . 1 . 1 19 19 GLU C C 13 178.350 0.01 . . . . . . . 19 GLU C . 50804 1 193 . 1 . 1 19 19 GLU CA C 13 60.946 0.09 . . . . . . . 19 GLU CA . 50804 1 194 . 1 . 1 19 19 GLU CB C 13 27.755 0.03 . . . . . . . 19 GLU CB . 50804 1 195 . 1 . 1 19 19 GLU CG C 13 37.627 0.05 . . . . . . . 19 GLU CG . 50804 1 196 . 1 . 1 19 19 GLU N N 15 117.914 0.05 . . . . . . . 19 GLU N . 50804 1 197 . 1 . 1 20 20 GLN H H 1 7.967 0.00 . . . . . . . 20 GLN H . 50804 1 198 . 1 . 1 20 20 GLN HA H 1 3.959 0.01 . . . . . . . 20 GLN HA . 50804 1 199 . 1 . 1 20 20 GLN HB2 H 1 2.125 0.01 . . . . . . . 20 GLN HB . 50804 1 200 . 1 . 1 20 20 GLN HB3 H 1 2.125 0.01 . . . . . . . 20 GLN HB . 50804 1 201 . 1 . 1 20 20 GLN HG2 H 1 2.361 0.01 . . . . . . . 20 GLN HG . 50804 1 202 . 1 . 1 20 20 GLN HG3 H 1 2.361 0.01 . . . . . . . 20 GLN HG . 50804 1 203 . 1 . 1 20 20 GLN HE21 H 1 7.789 0.00 . . . . . . . 20 GLN HE21 . 50804 1 204 . 1 . 1 20 20 GLN HE22 H 1 6.766 0.00 . . . . . . . 20 GLN HE22 . 50804 1 205 . 1 . 1 20 20 GLN C C 13 177.440 0.01 . . . . . . . 20 GLN C . 50804 1 206 . 1 . 1 20 20 GLN CA C 13 58.041 0.05 . . . . . . . 20 GLN CA . 50804 1 207 . 1 . 1 20 20 GLN CB C 13 27.608 0.02 . . . . . . . 20 GLN CB . 50804 1 208 . 1 . 1 20 20 GLN CG C 13 33.312 0.05 . . . . . . . 20 GLN CG . 50804 1 209 . 1 . 1 20 20 GLN N N 15 119.214 0.05 . . . . . . . 20 GLN N . 50804 1 210 . 1 . 1 20 20 GLN NE2 N 15 115.429 0.04 . . . . . . . 20 GLN NE2 . 50804 1 211 . 1 . 1 21 21 ALA H H 1 7.977 0.01 . . . . . . . 21 ALA H . 50804 1 212 . 1 . 1 21 21 ALA HA H 1 4.304 0.01 . . . . . . . 21 ALA HA . 50804 1 213 . 1 . 1 21 21 ALA HB1 H 1 1.639 0.01 . . . . . . . 21 ALA HB . 50804 1 214 . 1 . 1 21 21 ALA HB2 H 1 1.639 0.01 . . . . . . . 21 ALA HB . 50804 1 215 . 1 . 1 21 21 ALA HB3 H 1 1.639 0.01 . . . . . . . 21 ALA HB . 50804 1 216 . 1 . 1 21 21 ALA C C 13 181.274 0.01 . . . . . . . 21 ALA C . 50804 1 217 . 1 . 1 21 21 ALA CA C 13 54.457 0.06 . . . . . . . 21 ALA CA . 50804 1 218 . 1 . 1 21 21 ALA CB C 13 18.406 0.04 . . . . . . . 21 ALA CB . 50804 1 219 . 1 . 1 21 21 ALA N N 15 121.856 0.07 . . . . . . . 21 ALA N . 50804 1 220 . 1 . 1 22 22 LEU H H 1 7.969 0.01 . . . . . . . 22 LEU H . 50804 1 221 . 1 . 1 22 22 LEU HA H 1 4.081 0.01 . . . . . . . 22 LEU HA . 50804 1 222 . 1 . 1 22 22 LEU HB2 H 1 1.627 0.00 . . . . . . . 22 LEU HB2 . 50804 1 223 . 1 . 1 22 22 LEU HB3 H 1 1.373 0.01 . . . . . . . 22 LEU HB3 . 50804 1 224 . 1 . 1 22 22 LEU HG H 1 1.486 0.00 . . . . . . . 22 LEU HG . 50804 1 225 . 1 . 1 22 22 LEU HD11 H 1 0.583 0.00 . . . . . . . 22 LEU HD1 . 50804 1 226 . 1 . 1 22 22 LEU HD12 H 1 0.583 0.00 . . . . . . . 22 LEU HD1 . 50804 1 227 . 1 . 1 22 22 LEU HD13 H 1 0.583 0.00 . . . . . . . 22 LEU HD1 . 50804 1 228 . 1 . 1 22 22 LEU HD21 H 1 0.574 0.01 . . . . . . . 22 LEU HD2 . 50804 1 229 . 1 . 1 22 22 LEU HD22 H 1 0.574 0.01 . . . . . . . 22 LEU HD2 . 50804 1 230 . 1 . 1 22 22 LEU HD23 H 1 0.574 0.01 . . . . . . . 22 LEU HD2 . 50804 1 231 . 1 . 1 22 22 LEU C C 13 178.540 0.00 . . . . . . . 22 LEU C . 50804 1 232 . 1 . 1 22 22 LEU CA C 13 57.946 0.05 . . . . . . . 22 LEU CA . 50804 1 233 . 1 . 1 22 22 LEU CB C 13 41.414 0.07 . . . . . . . 22 LEU CB . 50804 1 234 . 1 . 1 22 22 LEU CG C 13 25.992 0.04 . . . . . . . 22 LEU CG . 50804 1 235 . 1 . 1 22 22 LEU CD1 C 13 24.454 0.02 . . . . . . . 22 LEU CD1 . 50804 1 236 . 1 . 1 22 22 LEU CD2 C 13 23.296 0.02 . . . . . . . 22 LEU CD2 . 50804 1 237 . 1 . 1 22 22 LEU N N 15 117.802 0.06 . . . . . . . 22 LEU N . 50804 1 238 . 1 . 1 23 23 GLU H H 1 8.529 0.01 . . . . . . . 23 GLU H . 50804 1 239 . 1 . 1 23 23 GLU HA H 1 3.666 0.01 . . . . . . . 23 GLU HA . 50804 1 240 . 1 . 1 23 23 GLU HB2 H 1 2.139 0.00 . . . . . . . 23 GLU HB . 50804 1 241 . 1 . 1 23 23 GLU HB3 H 1 2.139 0.00 . . . . . . . 23 GLU HB . 50804 1 242 . 1 . 1 23 23 GLU HG2 H 1 2.186 0.00 . . . . . . . 23 GLU HG . 50804 1 243 . 1 . 1 23 23 GLU HG3 H 1 2.186 0.00 . . . . . . . 23 GLU HG . 50804 1 244 . 1 . 1 23 23 GLU C C 13 178.877 0.00 . . . . . . . 23 GLU C . 50804 1 245 . 1 . 1 23 23 GLU CA C 13 60.057 0.01 . . . . . . . 23 GLU CA . 50804 1 246 . 1 . 1 23 23 GLU CB C 13 28.738 0.01 . . . . . . . 23 GLU CB . 50804 1 247 . 1 . 1 23 23 GLU CG C 13 35.726 0.00 . . . . . . . 23 GLU CG . 50804 1 248 . 1 . 1 23 23 GLU N N 15 120.146 0.05 . . . . . . . 23 GLU N . 50804 1 249 . 1 . 1 24 24 ASP H H 1 8.740 0.00 . . . . . . . 24 ASP H . 50804 1 250 . 1 . 1 24 24 ASP HA H 1 4.373 0.00 . . . . . . . 24 ASP HA . 50804 1 251 . 1 . 1 24 24 ASP HB2 H 1 2.840 0.01 . . . . . . . 24 ASP HB2 . 50804 1 252 . 1 . 1 24 24 ASP HB3 H 1 2.584 0.00 . . . . . . . 24 ASP HB3 . 50804 1 253 . 1 . 1 24 24 ASP C C 13 178.826 0.01 . . . . . . . 24 ASP C . 50804 1 254 . 1 . 1 24 24 ASP CA C 13 56.857 0.03 . . . . . . . 24 ASP CA . 50804 1 255 . 1 . 1 24 24 ASP CB C 13 39.767 0.06 . . . . . . . 24 ASP CB . 50804 1 256 . 1 . 1 24 24 ASP N N 15 118.701 0.06 . . . . . . . 24 ASP N . 50804 1 257 . 1 . 1 25 25 HIS H H 1 7.859 0.01 . . . . . . . 25 HIS H . 50804 1 258 . 1 . 1 25 25 HIS HA H 1 4.436 0.01 . . . . . . . 25 HIS HA . 50804 1 259 . 1 . 1 25 25 HIS HB2 H 1 3.104 0.01 . . . . . . . 25 HIS HB . 50804 1 260 . 1 . 1 25 25 HIS HB3 H 1 3.104 0.01 . . . . . . . 25 HIS HB . 50804 1 261 . 1 . 1 25 25 HIS C C 13 175.991 0.01 . . . . . . . 25 HIS C . 50804 1 262 . 1 . 1 25 25 HIS CA C 13 58.441 0.00 . . . . . . . 25 HIS CA . 50804 1 263 . 1 . 1 25 25 HIS CB C 13 30.096 0.05 . . . . . . . 25 HIS CB . 50804 1 264 . 1 . 1 25 25 HIS N N 15 115.254 0.04 . . . . . . . 25 HIS N . 50804 1 265 . 1 . 1 26 26 PHE H H 1 8.247 0.03 . . . . . . . 26 PHE H . 50804 1 266 . 1 . 1 26 26 PHE HA H 1 4.907 0.02 . . . . . . . 26 PHE HA . 50804 1 267 . 1 . 1 26 26 PHE HB2 H 1 3.514 0.01 . . . . . . . 26 PHE HB2 . 50804 1 268 . 1 . 1 26 26 PHE HB3 H 1 3.002 0.00 . . . . . . . 26 PHE HB3 . 50804 1 269 . 1 . 1 26 26 PHE HD1 H 1 7.651 0.01 . . . . . . . 26 PHE HD1 . 50804 1 270 . 1 . 1 26 26 PHE HD2 H 1 7.674 0.00 . . . . . . . 26 PHE HD2 . 50804 1 271 . 1 . 1 26 26 PHE HE1 H 1 6.916 0.01 . . . . . . . 26 PHE HE1 . 50804 1 272 . 1 . 1 26 26 PHE HE2 H 1 6.903 0.01 . . . . . . . 26 PHE HE2 . 50804 1 273 . 1 . 1 26 26 PHE C C 13 176.713 0.01 . . . . . . . 26 PHE C . 50804 1 274 . 1 . 1 26 26 PHE CA C 13 59.709 0.04 . . . . . . . 26 PHE CA . 50804 1 275 . 1 . 1 26 26 PHE CB C 13 40.150 0.11 . . . . . . . 26 PHE CB . 50804 1 276 . 1 . 1 26 26 PHE CD1 C 13 131.587 0.00 . . . . . . . 26 PHE CD1 . 50804 1 277 . 1 . 1 26 26 PHE CD2 C 13 131.410 0.06 . . . . . . . 26 PHE CD2 . 50804 1 278 . 1 . 1 26 26 PHE CE1 C 13 128.124 0.01 . . . . . . . 26 PHE CE1 . 50804 1 279 . 1 . 1 26 26 PHE CE2 C 13 128.365 0.00 . . . . . . . 26 PHE CE2 . 50804 1 280 . 1 . 1 26 26 PHE N N 15 115.717 0.07 . . . . . . . 26 PHE N . 50804 1 281 . 1 . 1 27 27 SER H H 1 8.408 0.01 . . . . . . . 27 SER H . 50804 1 282 . 1 . 1 27 27 SER HA H 1 4.540 0.00 . . . . . . . 27 SER HA . 50804 1 283 . 1 . 1 27 27 SER HB2 H 1 4.119 0.00 . . . . . . . 27 SER HB . 50804 1 284 . 1 . 1 27 27 SER HB3 H 1 4.119 0.00 . . . . . . . 27 SER HB . 50804 1 285 . 1 . 1 27 27 SER C C 13 176.164 0.00 . . . . . . . 27 SER C . 50804 1 286 . 1 . 1 27 27 SER CA C 13 60.893 0.05 . . . . . . . 27 SER CA . 50804 1 287 . 1 . 1 27 27 SER CB C 13 62.556 0.06 . . . . . . . 27 SER CB . 50804 1 288 . 1 . 1 27 27 SER N N 15 116.245 0.05 . . . . . . . 27 SER N . 50804 1 289 . 1 . 1 28 28 SER H H 1 7.878 0.02 . . . . . . . 28 SER H . 50804 1 290 . 1 . 1 28 28 SER HA H 1 3.985 0.00 . . . . . . . 28 SER HA . 50804 1 291 . 1 . 1 28 28 SER HB2 H 1 3.443 0.01 . . . . . . . 28 SER HB2 . 50804 1 292 . 1 . 1 28 28 SER HB3 H 1 3.345 0.00 . . . . . . . 28 SER HB3 . 50804 1 293 . 1 . 1 28 28 SER C C 13 175.463 0.00 . . . . . . . 28 SER C . 50804 1 294 . 1 . 1 28 28 SER CA C 13 59.928 0.04 . . . . . . . 28 SER CA . 50804 1 295 . 1 . 1 28 28 SER CB C 13 61.598 0.09 . . . . . . . 28 SER CB . 50804 1 296 . 1 . 1 28 28 SER N N 15 116.120 0.06 . . . . . . . 28 SER N . 50804 1 297 . 1 . 1 29 29 PHE H H 1 7.475 0.02 . . . . . . . 29 PHE H . 50804 1 298 . 1 . 1 29 29 PHE HA H 1 4.178 0.00 . . . . . . . 29 PHE HA . 50804 1 299 . 1 . 1 29 29 PHE HB2 H 1 3.062 0.01 . . . . . . . 29 PHE HB . 50804 1 300 . 1 . 1 29 29 PHE HB3 H 1 3.062 0.01 . . . . . . . 29 PHE HB . 50804 1 301 . 1 . 1 29 29 PHE C C 13 174.775 0.02 . . . . . . . 29 PHE C . 50804 1 302 . 1 . 1 29 29 PHE CA C 13 59.428 0.04 . . . . . . . 29 PHE CA . 50804 1 303 . 1 . 1 29 29 PHE CB C 13 38.204 0.09 . . . . . . . 29 PHE CB . 50804 1 304 . 1 . 1 29 29 PHE N N 15 117.704 0.03 . . . . . . . 29 PHE N . 50804 1 305 . 1 . 1 30 30 GLY H H 1 7.302 0.01 . . . . . . . 30 GLY H . 50804 1 306 . 1 . 1 30 30 GLY HA2 H 1 4.816 0.00 . . . . . . . 30 GLY HA2 . 50804 1 307 . 1 . 1 30 30 GLY HA3 H 1 3.743 0.00 . . . . . . . 30 GLY HA3 . 50804 1 308 . 1 . 1 30 30 GLY C C 13 183.939 0.00 . . . . . . . 30 GLY C . 50804 1 309 . 1 . 1 30 30 GLY CA C 13 44.186 0.00 . . . . . . . 30 GLY CA . 50804 1 310 . 1 . 1 30 30 GLY N N 15 106.881 0.07 . . . . . . . 30 GLY N . 50804 1 311 . 1 . 1 31 31 PRO HA H 1 4.446 0.00 . . . . . . . 31 PRO HA . 50804 1 312 . 1 . 1 31 31 PRO HB2 H 1 2.367 0.00 . . . . . . . 31 PRO HB2 . 50804 1 313 . 1 . 1 31 31 PRO HB3 H 1 2.026 0.00 . . . . . . . 31 PRO HB3 . 50804 1 314 . 1 . 1 31 31 PRO HG2 H 1 2.320 0.00 . . . . . . . 31 PRO HG2 . 50804 1 315 . 1 . 1 31 31 PRO HG3 H 1 2.067 0.00 . . . . . . . 31 PRO HG3 . 50804 1 316 . 1 . 1 31 31 PRO HD2 H 1 4.045 0.00 . . . . . . . 31 PRO HD2 . 50804 1 317 . 1 . 1 31 31 PRO HD3 H 1 3.780 0.00 . . . . . . . 31 PRO HD3 . 50804 1 318 . 1 . 1 31 31 PRO C C 13 177.005 0.01 . . . . . . . 31 PRO C . 50804 1 319 . 1 . 1 31 31 PRO CA C 13 63.398 0.04 . . . . . . . 31 PRO CA . 50804 1 320 . 1 . 1 31 31 PRO CB C 13 31.520 0.05 . . . . . . . 31 PRO CB . 50804 1 321 . 1 . 1 31 31 PRO CG C 13 27.175 0.00 . . . . . . . 31 PRO CG . 50804 1 322 . 1 . 1 31 31 PRO CD C 13 49.369 0.04 . . . . . . . 31 PRO CD . 50804 1 323 . 1 . 1 32 32 ILE H H 1 8.492 0.00 . . . . . . . 32 ILE H . 50804 1 324 . 1 . 1 32 32 ILE HA H 1 4.148 0.01 . . . . . . . 32 ILE HA . 50804 1 325 . 1 . 1 32 32 ILE HB H 1 1.474 0.01 . . . . . . . 32 ILE HB . 50804 1 326 . 1 . 1 32 32 ILE HG12 H 1 1.696 0.01 . . . . . . . 32 ILE HG12 . 50804 1 327 . 1 . 1 32 32 ILE HG13 H 1 -0.178 0.02 . . . . . . . 32 ILE HG13 . 50804 1 328 . 1 . 1 32 32 ILE HG21 H 1 0.482 0.01 . . . . . . . 32 ILE HG2 . 50804 1 329 . 1 . 1 32 32 ILE HG22 H 1 0.482 0.01 . . . . . . . 32 ILE HG2 . 50804 1 330 . 1 . 1 32 32 ILE HG23 H 1 0.482 0.01 . . . . . . . 32 ILE HG2 . 50804 1 331 . 1 . 1 32 32 ILE HD11 H 1 0.516 0.01 . . . . . . . 32 ILE HD1 . 50804 1 332 . 1 . 1 32 32 ILE HD12 H 1 0.516 0.01 . . . . . . . 32 ILE HD1 . 50804 1 333 . 1 . 1 32 32 ILE HD13 H 1 0.516 0.01 . . . . . . . 32 ILE HD1 . 50804 1 334 . 1 . 1 32 32 ILE C C 13 176.318 0.04 . . . . . . . 32 ILE C . 50804 1 335 . 1 . 1 32 32 ILE CA C 13 59.973 0.07 . . . . . . . 32 ILE CA . 50804 1 336 . 1 . 1 32 32 ILE CB C 13 40.596 0.07 . . . . . . . 32 ILE CB . 50804 1 337 . 1 . 1 32 32 ILE CG1 C 13 27.557 0.05 . . . . . . . 32 ILE CG1 . 50804 1 338 . 1 . 1 32 32 ILE CG2 C 13 17.641 0.10 . . . . . . . 32 ILE CG2 . 50804 1 339 . 1 . 1 32 32 ILE CD1 C 13 13.795 0.04 . . . . . . . 32 ILE CD1 . 50804 1 340 . 1 . 1 32 32 ILE N N 15 125.554 0.07 . . . . . . . 32 ILE N . 50804 1 341 . 1 . 1 33 33 SER H H 1 8.883 0.01 . . . . . . . 33 SER H . 50804 1 342 . 1 . 1 33 33 SER HA H 1 4.434 0.01 . . . . . . . 33 SER HA . 50804 1 343 . 1 . 1 33 33 SER HB2 H 1 3.659 0.01 . . . . . . . 33 SER HB . 50804 1 344 . 1 . 1 33 33 SER HB3 H 1 3.659 0.01 . . . . . . . 33 SER HB . 50804 1 345 . 1 . 1 33 33 SER C C 13 174.297 0.00 . . . . . . . 33 SER C . 50804 1 346 . 1 . 1 33 33 SER CA C 13 58.473 0.01 . . . . . . . 33 SER CA . 50804 1 347 . 1 . 1 33 33 SER CB C 13 63.712 0.01 . . . . . . . 33 SER CB . 50804 1 348 . 1 . 1 33 33 SER N N 15 122.160 0.04 . . . . . . . 33 SER N . 50804 1 349 . 1 . 1 34 34 GLU H H 1 7.158 0.02 . . . . . . . 34 GLU H . 50804 1 350 . 1 . 1 34 34 GLU HA H 1 4.482 0.00 . . . . . . . 34 GLU HA . 50804 1 351 . 1 . 1 34 34 GLU HB2 H 1 1.956 0.00 . . . . . . . 34 GLU HB2 . 50804 1 352 . 1 . 1 34 34 GLU HB3 H 1 1.789 0.01 . . . . . . . 34 GLU HB3 . 50804 1 353 . 1 . 1 34 34 GLU HG2 H 1 2.079 0.00 . . . . . . . 34 GLU HG . 50804 1 354 . 1 . 1 34 34 GLU HG3 H 1 2.079 0.00 . . . . . . . 34 GLU HG . 50804 1 355 . 1 . 1 34 34 GLU C C 13 173.080 0.00 . . . . . . . 34 GLU C . 50804 1 356 . 1 . 1 34 34 GLU CA C 13 56.153 0.06 . . . . . . . 34 GLU CA . 50804 1 357 . 1 . 1 34 34 GLU CB C 13 32.843 0.03 . . . . . . . 34 GLU CB . 50804 1 358 . 1 . 1 34 34 GLU CG C 13 36.306 0.00 . . . . . . . 34 GLU CG . 50804 1 359 . 1 . 1 34 34 GLU N N 15 120.275 0.07 . . . . . . . 34 GLU N . 50804 1 360 . 1 . 1 35 35 VAL H H 1 8.390 0.00 . . . . . . . 35 VAL H . 50804 1 361 . 1 . 1 35 35 VAL HA H 1 4.678 0.00 . . . . . . . 35 VAL HA . 50804 1 362 . 1 . 1 35 35 VAL HB H 1 1.867 0.01 . . . . . . . 35 VAL HB . 50804 1 363 . 1 . 1 35 35 VAL HG11 H 1 0.862 0.00 . . . . . . . 35 VAL HG1 . 50804 1 364 . 1 . 1 35 35 VAL HG12 H 1 0.862 0.00 . . . . . . . 35 VAL HG1 . 50804 1 365 . 1 . 1 35 35 VAL HG13 H 1 0.862 0.00 . . . . . . . 35 VAL HG1 . 50804 1 366 . 1 . 1 35 35 VAL HG21 H 1 0.806 0.00 . . . . . . . 35 VAL HG2 . 50804 1 367 . 1 . 1 35 35 VAL HG22 H 1 0.806 0.00 . . . . . . . 35 VAL HG2 . 50804 1 368 . 1 . 1 35 35 VAL HG23 H 1 0.806 0.00 . . . . . . . 35 VAL HG2 . 50804 1 369 . 1 . 1 35 35 VAL C C 13 173.311 0.03 . . . . . . . 35 VAL C . 50804 1 370 . 1 . 1 35 35 VAL CA C 13 60.745 0.01 . . . . . . . 35 VAL CA . 50804 1 371 . 1 . 1 35 35 VAL CB C 13 33.815 0.08 . . . . . . . 35 VAL CB . 50804 1 372 . 1 . 1 35 35 VAL CG1 C 13 21.101 0.02 . . . . . . . 35 VAL CG1 . 50804 1 373 . 1 . 1 35 35 VAL CG2 C 13 21.741 0.01 . . . . . . . 35 VAL CG2 . 50804 1 374 . 1 . 1 35 35 VAL N N 15 124.745 0.09 . . . . . . . 35 VAL N . 50804 1 375 . 1 . 1 36 36 VAL H H 1 8.730 0.01 . . . . . . . 36 VAL H . 50804 1 376 . 1 . 1 36 36 VAL HA H 1 4.533 0.01 . . . . . . . 36 VAL HA . 50804 1 377 . 1 . 1 36 36 VAL HB H 1 1.970 0.00 . . . . . . . 36 VAL HB . 50804 1 378 . 1 . 1 36 36 VAL HG11 H 1 0.914 0.00 . . . . . . . 36 VAL HG1 . 50804 1 379 . 1 . 1 36 36 VAL HG12 H 1 0.914 0.00 . . . . . . . 36 VAL HG1 . 50804 1 380 . 1 . 1 36 36 VAL HG13 H 1 0.914 0.00 . . . . . . . 36 VAL HG1 . 50804 1 381 . 1 . 1 36 36 VAL HG21 H 1 0.896 0.00 . . . . . . . 36 VAL HG2 . 50804 1 382 . 1 . 1 36 36 VAL HG22 H 1 0.896 0.00 . . . . . . . 36 VAL HG2 . 50804 1 383 . 1 . 1 36 36 VAL HG23 H 1 0.896 0.00 . . . . . . . 36 VAL HG2 . 50804 1 384 . 1 . 1 36 36 VAL C C 13 174.399 0.00 . . . . . . . 36 VAL C . 50804 1 385 . 1 . 1 36 36 VAL CA C 13 60.148 0.08 . . . . . . . 36 VAL CA . 50804 1 386 . 1 . 1 36 36 VAL CB C 13 36.035 0.07 . . . . . . . 36 VAL CB . 50804 1 387 . 1 . 1 36 36 VAL CG1 C 13 19.958 0.01 . . . . . . . 36 VAL CG1 . 50804 1 388 . 1 . 1 36 36 VAL CG2 C 13 20.644 0.03 . . . . . . . 36 VAL CG2 . 50804 1 389 . 1 . 1 36 36 VAL N N 15 124.878 0.04 . . . . . . . 36 VAL N . 50804 1 390 . 1 . 1 37 37 VAL H H 1 8.412 0.01 . . . . . . . 37 VAL H . 50804 1 391 . 1 . 1 37 37 VAL HA H 1 3.945 0.01 . . . . . . . 37 VAL HA . 50804 1 392 . 1 . 1 37 37 VAL HB H 1 1.680 0.01 . . . . . . . 37 VAL HB . 50804 1 393 . 1 . 1 37 37 VAL HG11 H 1 0.714 0.00 . . . . . . . 37 VAL HG1 . 50804 1 394 . 1 . 1 37 37 VAL HG12 H 1 0.714 0.00 . . . . . . . 37 VAL HG1 . 50804 1 395 . 1 . 1 37 37 VAL HG13 H 1 0.714 0.00 . . . . . . . 37 VAL HG1 . 50804 1 396 . 1 . 1 37 37 VAL HG21 H 1 0.532 0.01 . . . . . . . 37 VAL HG2 . 50804 1 397 . 1 . 1 37 37 VAL HG22 H 1 0.532 0.01 . . . . . . . 37 VAL HG2 . 50804 1 398 . 1 . 1 37 37 VAL HG23 H 1 0.532 0.01 . . . . . . . 37 VAL HG2 . 50804 1 399 . 1 . 1 37 37 VAL C C 13 175.660 0.00 . . . . . . . 37 VAL C . 50804 1 400 . 1 . 1 37 37 VAL CA C 13 61.949 0.02 . . . . . . . 37 VAL CA . 50804 1 401 . 1 . 1 37 37 VAL CB C 13 32.423 0.08 . . . . . . . 37 VAL CB . 50804 1 402 . 1 . 1 37 37 VAL CG1 C 13 20.110 0.01 . . . . . . . 37 VAL CG1 . 50804 1 403 . 1 . 1 37 37 VAL CG2 C 13 21.341 0.02 . . . . . . . 37 VAL CG2 . 50804 1 404 . 1 . 1 37 37 VAL N N 15 126.213 0.05 . . . . . . . 37 VAL N . 50804 1 405 . 1 . 1 38 38 VAL H H 1 8.312 0.01 . . . . . . . 38 VAL H . 50804 1 406 . 1 . 1 38 38 VAL HA H 1 3.575 0.01 . . . . . . . 38 VAL HA . 50804 1 407 . 1 . 1 38 38 VAL HB H 1 0.804 0.01 . . . . . . . 38 VAL HB . 50804 1 408 . 1 . 1 38 38 VAL HG11 H 1 0.762 0.01 . . . . . . . 38 VAL HG1 . 50804 1 409 . 1 . 1 38 38 VAL HG12 H 1 0.762 0.01 . . . . . . . 38 VAL HG1 . 50804 1 410 . 1 . 1 38 38 VAL HG13 H 1 0.762 0.01 . . . . . . . 38 VAL HG1 . 50804 1 411 . 1 . 1 38 38 VAL HG21 H 1 0.890 0.00 . . . . . . . 38 VAL HG2 . 50804 1 412 . 1 . 1 38 38 VAL HG22 H 1 0.890 0.00 . . . . . . . 38 VAL HG2 . 50804 1 413 . 1 . 1 38 38 VAL HG23 H 1 0.890 0.00 . . . . . . . 38 VAL HG2 . 50804 1 414 . 1 . 1 38 38 VAL C C 13 174.539 0.01 . . . . . . . 38 VAL C . 50804 1 415 . 1 . 1 38 38 VAL CA C 13 63.934 0.05 . . . . . . . 38 VAL CA . 50804 1 416 . 1 . 1 38 38 VAL CB C 13 29.575 0.02 . . . . . . . 38 VAL CB . 50804 1 417 . 1 . 1 38 38 VAL CG1 C 13 21.085 0.04 . . . . . . . 38 VAL CG1 . 50804 1 418 . 1 . 1 38 38 VAL CG2 C 13 22.106 0.02 . . . . . . . 38 VAL CG2 . 50804 1 419 . 1 . 1 38 38 VAL N N 15 129.890 0.04 . . . . . . . 38 VAL N . 50804 1 420 . 1 . 1 39 39 LYS H H 1 8.113 0.00 . . . . . . . 39 LYS H . 50804 1 421 . 1 . 1 39 39 LYS HA H 1 4.765 0.00 . . . . . . . 39 LYS HA . 50804 1 422 . 1 . 1 39 39 LYS HB2 H 1 1.382 0.00 . . . . . . . 39 LYS HB2 . 50804 1 423 . 1 . 1 39 39 LYS HB3 H 1 1.246 0.00 . . . . . . . 39 LYS HB3 . 50804 1 424 . 1 . 1 39 39 LYS HG2 H 1 1.029 0.00 . . . . . . . 39 LYS HG . 50804 1 425 . 1 . 1 39 39 LYS HG3 H 1 1.029 0.00 . . . . . . . 39 LYS HG . 50804 1 426 . 1 . 1 39 39 LYS HD2 H 1 1.554 0.00 . . . . . . . 39 LYS HD2 . 50804 1 427 . 1 . 1 39 39 LYS HD3 H 1 1.424 0.00 . . . . . . . 39 LYS HD3 . 50804 1 428 . 1 . 1 39 39 LYS HE2 H 1 2.951 0.00 . . . . . . . 39 LYS HE . 50804 1 429 . 1 . 1 39 39 LYS HE3 H 1 2.951 0.00 . . . . . . . 39 LYS HE . 50804 1 430 . 1 . 1 39 39 LYS C C 13 176.774 0.01 . . . . . . . 39 LYS C . 50804 1 431 . 1 . 1 39 39 LYS CA C 13 53.256 0.04 . . . . . . . 39 LYS CA . 50804 1 432 . 1 . 1 39 39 LYS CB C 13 34.925 0.06 . . . . . . . 39 LYS CB . 50804 1 433 . 1 . 1 39 39 LYS CG C 13 23.904 0.00 . . . . . . . 39 LYS CG . 50804 1 434 . 1 . 1 39 39 LYS CD C 13 28.056 0.07 . . . . . . . 39 LYS CD . 50804 1 435 . 1 . 1 39 39 LYS N N 15 124.695 0.06 . . . . . . . 39 LYS N . 50804 1 436 . 1 . 1 40 40 ASP H H 1 8.569 0.01 . . . . . . . 40 ASP H . 50804 1 437 . 1 . 1 40 40 ASP HA H 1 4.470 0.00 . . . . . . . 40 ASP HA . 50804 1 438 . 1 . 1 40 40 ASP HB2 H 1 2.907 0.01 . . . . . . . 40 ASP HB2 . 50804 1 439 . 1 . 1 40 40 ASP HB3 H 1 2.505 0.00 . . . . . . . 40 ASP HB3 . 50804 1 440 . 1 . 1 40 40 ASP C C 13 177.348 0.00 . . . . . . . 40 ASP C . 50804 1 441 . 1 . 1 40 40 ASP CA C 13 53.685 0.07 . . . . . . . 40 ASP CA . 50804 1 442 . 1 . 1 40 40 ASP CB C 13 42.368 0.05 . . . . . . . 40 ASP CB . 50804 1 443 . 1 . 1 40 40 ASP N N 15 123.189 0.05 . . . . . . . 40 ASP N . 50804 1 444 . 1 . 1 41 41 ARG H H 1 8.855 0.01 . . . . . . . 41 ARG H . 50804 1 445 . 1 . 1 41 41 ARG HA H 1 3.962 0.00 . . . . . . . 41 ARG HA . 50804 1 446 . 1 . 1 41 41 ARG HB2 H 1 1.897 0.00 . . . . . . . 41 ARG HB . 50804 1 447 . 1 . 1 41 41 ARG HB3 H 1 1.897 0.00 . . . . . . . 41 ARG HB . 50804 1 448 . 1 . 1 41 41 ARG HG2 H 1 1.671 0.01 . . . . . . . 41 ARG HG . 50804 1 449 . 1 . 1 41 41 ARG HG3 H 1 1.671 0.01 . . . . . . . 41 ARG HG . 50804 1 450 . 1 . 1 41 41 ARG HD2 H 1 3.218 0.00 . . . . . . . 41 ARG HD . 50804 1 451 . 1 . 1 41 41 ARG HD3 H 1 3.218 0.00 . . . . . . . 41 ARG HD . 50804 1 452 . 1 . 1 41 41 ARG HE H 1 7.018 0.01 . . . . . . . 41 ARG HE . 50804 1 453 . 1 . 1 41 41 ARG C C 13 177.330 0.01 . . . . . . . 41 ARG C . 50804 1 454 . 1 . 1 41 41 ARG CA C 13 58.371 0.03 . . . . . . . 41 ARG CA . 50804 1 455 . 1 . 1 41 41 ARG CB C 13 29.499 0.01 . . . . . . . 41 ARG CB . 50804 1 456 . 1 . 1 41 41 ARG CG C 13 26.521 0.00 . . . . . . . 41 ARG CG . 50804 1 457 . 1 . 1 41 41 ARG CD C 13 42.714 0.00 . . . . . . . 41 ARG CD . 50804 1 458 . 1 . 1 41 41 ARG N N 15 127.052 0.05 . . . . . . . 41 ARG N . 50804 1 459 . 1 . 1 41 41 ARG NE N 15 84.659 0.09 . . . . . . . 41 ARG NE . 50804 1 460 . 1 . 1 42 42 GLU H H 1 8.531 0.01 . . . . . . . 42 GLU H . 50804 1 461 . 1 . 1 42 42 GLU HA H 1 4.263 0.01 . . . . . . . 42 GLU HA . 50804 1 462 . 1 . 1 42 42 GLU HB2 H 1 2.128 0.00 . . . . . . . 42 GLU HB . 50804 1 463 . 1 . 1 42 42 GLU HB3 H 1 2.128 0.00 . . . . . . . 42 GLU HB . 50804 1 464 . 1 . 1 42 42 GLU HG2 H 1 2.240 0.00 . . . . . . . 42 GLU HG . 50804 1 465 . 1 . 1 42 42 GLU HG3 H 1 2.240 0.00 . . . . . . . 42 GLU HG . 50804 1 466 . 1 . 1 42 42 GLU C C 13 178.343 0.01 . . . . . . . 42 GLU C . 50804 1 467 . 1 . 1 42 42 GLU CA C 13 58.111 0.05 . . . . . . . 42 GLU CA . 50804 1 468 . 1 . 1 42 42 GLU CB C 13 29.615 0.04 . . . . . . . 42 GLU CB . 50804 1 469 . 1 . 1 42 42 GLU CG C 13 36.009 0.00 . . . . . . . 42 GLU CG . 50804 1 470 . 1 . 1 42 42 GLU N N 15 117.184 0.02 . . . . . . . 42 GLU N . 50804 1 471 . 1 . 1 43 43 THR H H 1 8.130 0.01 . . . . . . . 43 THR H . 50804 1 472 . 1 . 1 43 43 THR HA H 1 4.309 0.00 . . . . . . . 43 THR HA . 50804 1 473 . 1 . 1 43 43 THR HB H 1 4.287 0.00 . . . . . . . 43 THR HB . 50804 1 474 . 1 . 1 43 43 THR HG21 H 1 1.184 0.00 . . . . . . . 43 THR HG2 . 50804 1 475 . 1 . 1 43 43 THR HG22 H 1 1.184 0.00 . . . . . . . 43 THR HG2 . 50804 1 476 . 1 . 1 43 43 THR HG23 H 1 1.184 0.00 . . . . . . . 43 THR HG2 . 50804 1 477 . 1 . 1 43 43 THR C C 13 175.768 0.01 . . . . . . . 43 THR C . 50804 1 478 . 1 . 1 43 43 THR CA C 13 61.541 0.08 . . . . . . . 43 THR CA . 50804 1 479 . 1 . 1 43 43 THR CB C 13 70.324 0.05 . . . . . . . 43 THR CB . 50804 1 480 . 1 . 1 43 43 THR CG2 C 13 20.644 0.06 . . . . . . . 43 THR CG2 . 50804 1 481 . 1 . 1 43 43 THR N N 15 107.389 0.04 . . . . . . . 43 THR N . 50804 1 482 . 1 . 1 44 44 GLN H H 1 8.095 0.01 . . . . . . . 44 GLN H . 50804 1 483 . 1 . 1 44 44 GLN HA H 1 3.854 0.01 . . . . . . . 44 GLN HA . 50804 1 484 . 1 . 1 44 44 GLN HB2 H 1 2.351 0.01 . . . . . . . 44 GLN HB . 50804 1 485 . 1 . 1 44 44 GLN HB3 H 1 2.351 0.01 . . . . . . . 44 GLN HB . 50804 1 486 . 1 . 1 44 44 GLN HG2 H 1 2.276 0.00 . . . . . . . 44 GLN HG2 . 50804 1 487 . 1 . 1 44 44 GLN HG3 H 1 2.181 0.00 . . . . . . . 44 GLN HG3 . 50804 1 488 . 1 . 1 44 44 GLN HE21 H 1 7.322 0.00 . . . . . . . 44 GLN HE21 . 50804 1 489 . 1 . 1 44 44 GLN HE22 H 1 6.725 0.00 . . . . . . . 44 GLN HE22 . 50804 1 490 . 1 . 1 44 44 GLN C C 13 174.028 0.01 . . . . . . . 44 GLN C . 50804 1 491 . 1 . 1 44 44 GLN CA C 13 56.743 0.04 . . . . . . . 44 GLN CA . 50804 1 492 . 1 . 1 44 44 GLN CB C 13 25.312 0.06 . . . . . . . 44 GLN CB . 50804 1 493 . 1 . 1 44 44 GLN CG C 13 33.356 0.07 . . . . . . . 44 GLN CG . 50804 1 494 . 1 . 1 44 44 GLN N N 15 114.274 0.04 . . . . . . . 44 GLN N . 50804 1 495 . 1 . 1 44 44 GLN NE2 N 15 113.465 0.03 . . . . . . . 44 GLN NE2 . 50804 1 496 . 1 . 1 45 45 ARG H H 1 7.574 0.01 . . . . . . . 45 ARG H . 50804 1 497 . 1 . 1 45 45 ARG HA H 1 4.352 0.01 . . . . . . . 45 ARG HA . 50804 1 498 . 1 . 1 45 45 ARG HB2 H 1 1.773 0.00 . . . . . . . 45 ARG HB2 . 50804 1 499 . 1 . 1 45 45 ARG HB3 H 1 1.588 0.00 . . . . . . . 45 ARG HB3 . 50804 1 500 . 1 . 1 45 45 ARG HG2 H 1 1.608 0.00 . . . . . . . 45 ARG HG . 50804 1 501 . 1 . 1 45 45 ARG HG3 H 1 1.608 0.00 . . . . . . . 45 ARG HG . 50804 1 502 . 1 . 1 45 45 ARG HD2 H 1 3.088 0.00 . . . . . . . 45 ARG HD . 50804 1 503 . 1 . 1 45 45 ARG HD3 H 1 3.088 0.00 . . . . . . . 45 ARG HD . 50804 1 504 . 1 . 1 45 45 ARG HE H 1 7.480 0.01 . . . . . . . 45 ARG HE . 50804 1 505 . 1 . 1 45 45 ARG C C 13 176.211 0.00 . . . . . . . 45 ARG C . 50804 1 506 . 1 . 1 45 45 ARG CA C 13 54.684 0.01 . . . . . . . 45 ARG CA . 50804 1 507 . 1 . 1 45 45 ARG CB C 13 30.956 0.04 . . . . . . . 45 ARG CB . 50804 1 508 . 1 . 1 45 45 ARG CG C 13 26.735 0.01 . . . . . . . 45 ARG CG . 50804 1 509 . 1 . 1 45 45 ARG CD C 13 42.730 0.06 . . . . . . . 45 ARG CD . 50804 1 510 . 1 . 1 45 45 ARG N N 15 118.013 0.03 . . . . . . . 45 ARG N . 50804 1 511 . 1 . 1 45 45 ARG NE N 15 84.840 0.05 . . . . . . . 45 ARG NE . 50804 1 512 . 1 . 1 46 46 SER H H 1 8.686 0.00 . . . . . . . 46 SER H . 50804 1 513 . 1 . 1 46 46 SER HA H 1 4.187 0.00 . . . . . . . 46 SER HA . 50804 1 514 . 1 . 1 46 46 SER HB2 H 1 4.028 0.00 . . . . . . . 46 SER HB . 50804 1 515 . 1 . 1 46 46 SER HB3 H 1 4.028 0.00 . . . . . . . 46 SER HB . 50804 1 516 . 1 . 1 46 46 SER C C 13 175.619 0.01 . . . . . . . 46 SER C . 50804 1 517 . 1 . 1 46 46 SER CA C 13 57.803 0.03 . . . . . . . 46 SER CA . 50804 1 518 . 1 . 1 46 46 SER CB C 13 63.862 0.02 . . . . . . . 46 SER CB . 50804 1 519 . 1 . 1 46 46 SER N N 15 116.600 0.04 . . . . . . . 46 SER N . 50804 1 520 . 1 . 1 47 47 ARG H H 1 9.020 0.01 . . . . . . . 47 ARG H . 50804 1 521 . 1 . 1 47 47 ARG HA H 1 4.350 0.01 . . . . . . . 47 ARG HA . 50804 1 522 . 1 . 1 47 47 ARG HB2 H 1 2.255 0.01 . . . . . . . 47 ARG HB2 . 50804 1 523 . 1 . 1 47 47 ARG HB3 H 1 1.016 0.00 . . . . . . . 47 ARG HB3 . 50804 1 524 . 1 . 1 47 47 ARG HG2 H 1 1.631 0.00 . . . . . . . 47 ARG HG2 . 50804 1 525 . 1 . 1 47 47 ARG HG3 H 1 1.571 0.00 . . . . . . . 47 ARG HG3 . 50804 1 526 . 1 . 1 47 47 ARG HD2 H 1 3.213 0.00 . . . . . . . 47 ARG HD2 . 50804 1 527 . 1 . 1 47 47 ARG HD3 H 1 2.994 0.01 . . . . . . . 47 ARG HD3 . 50804 1 528 . 1 . 1 47 47 ARG C C 13 177.653 0.01 . . . . . . . 47 ARG C . 50804 1 529 . 1 . 1 47 47 ARG CA C 13 55.696 0.03 . . . . . . . 47 ARG CA . 50804 1 530 . 1 . 1 47 47 ARG CB C 13 30.210 0.05 . . . . . . . 47 ARG CB . 50804 1 531 . 1 . 1 47 47 ARG N N 15 123.113 0.04 . . . . . . . 47 ARG N . 50804 1 532 . 1 . 1 48 48 GLY H H 1 9.513 0.01 . . . . . . . 48 GLY H . 50804 1 533 . 1 . 1 48 48 GLY HA2 H 1 4.174 0.01 . . . . . . . 48 GLY HA2 . 50804 1 534 . 1 . 1 48 48 GLY HA3 H 1 3.246 0.00 . . . . . . . 48 GLY HA3 . 50804 1 535 . 1 . 1 48 48 GLY C C 13 171.697 0.00 . . . . . . . 48 GLY C . 50804 1 536 . 1 . 1 48 48 GLY CA C 13 45.107 0.04 . . . . . . . 48 GLY CA . 50804 1 537 . 1 . 1 48 48 GLY N N 15 107.994 0.15 . . . . . . . 48 GLY N . 50804 1 538 . 1 . 1 49 49 PHE H H 1 7.021 0.02 . . . . . . . 49 PHE H . 50804 1 539 . 1 . 1 49 49 PHE HA H 1 5.186 0.01 . . . . . . . 49 PHE HA . 50804 1 540 . 1 . 1 49 49 PHE HB2 H 1 3.223 0.00 . . . . . . . 49 PHE HB2 . 50804 1 541 . 1 . 1 49 49 PHE HB3 H 1 2.925 0.00 . . . . . . . 49 PHE HB3 . 50804 1 542 . 1 . 1 49 49 PHE HD1 H 1 6.829 0.00 . . . . . . . 49 PHE HD1 . 50804 1 543 . 1 . 1 49 49 PHE HD2 H 1 6.827 0.01 . . . . . . . 49 PHE HD2 . 50804 1 544 . 1 . 1 49 49 PHE HE2 H 1 8.322 0.00 . . . . . . . 49 PHE HE2 . 50804 1 545 . 1 . 1 49 49 PHE C C 13 171.976 0.01 . . . . . . . 49 PHE C . 50804 1 546 . 1 . 1 49 49 PHE CA C 13 54.238 0.06 . . . . . . . 49 PHE CA . 50804 1 547 . 1 . 1 49 49 PHE CB C 13 40.876 0.06 . . . . . . . 49 PHE CB . 50804 1 548 . 1 . 1 49 49 PHE CD1 C 13 132.083 0.07 . . . . . . . 49 PHE CD1 . 50804 1 549 . 1 . 1 49 49 PHE CD2 C 13 131.985 0.08 . . . . . . . 49 PHE CD2 . 50804 1 550 . 1 . 1 49 49 PHE CE1 C 13 136.864 0.00 . . . . . . . 49 PHE CE . 50804 1 551 . 1 . 1 49 49 PHE CE2 C 13 136.864 0.00 . . . . . . . 49 PHE CE . 50804 1 552 . 1 . 1 49 49 PHE N N 15 112.240 0.07 . . . . . . . 49 PHE N . 50804 1 553 . 1 . 1 50 50 GLY H H 1 8.725 0.01 . . . . . . . 50 GLY H . 50804 1 554 . 1 . 1 50 50 GLY HA2 H 1 3.996 0.01 . . . . . . . 50 GLY HA . 50804 1 555 . 1 . 1 50 50 GLY HA3 H 1 3.996 0.01 . . . . . . . 50 GLY HA . 50804 1 556 . 1 . 1 50 50 GLY C C 13 183.480 0.01 . . . . . . . 50 GLY C . 50804 1 557 . 1 . 1 50 50 GLY CA C 13 44.736 0.07 . . . . . . . 50 GLY CA . 50804 1 558 . 1 . 1 50 50 GLY N N 15 105.936 0.05 . . . . . . . 50 GLY N . 50804 1 559 . 1 . 1 51 51 PHE H H 1 8.861 0.01 . . . . . . . 51 PHE H . 50804 1 560 . 1 . 1 51 51 PHE HA H 1 5.841 0.02 . . . . . . . 51 PHE HA . 50804 1 561 . 1 . 1 51 51 PHE HB2 H 1 2.864 0.01 . . . . . . . 51 PHE HB2 . 50804 1 562 . 1 . 1 51 51 PHE HB3 H 1 2.543 0.00 . . . . . . . 51 PHE HB3 . 50804 1 563 . 1 . 1 51 51 PHE C C 13 175.071 0.00 . . . . . . . 51 PHE C . 50804 1 564 . 1 . 1 51 51 PHE CA C 13 55.411 0.04 . . . . . . . 51 PHE CA . 50804 1 565 . 1 . 1 51 51 PHE CB C 13 43.627 0.03 . . . . . . . 51 PHE CB . 50804 1 566 . 1 . 1 51 51 PHE N N 15 113.576 0.07 . . . . . . . 51 PHE N . 50804 1 567 . 1 . 1 52 52 ILE H H 1 8.743 0.01 . . . . . . . 52 ILE H . 50804 1 568 . 1 . 1 52 52 ILE HA H 1 4.587 0.01 . . . . . . . 52 ILE HA . 50804 1 569 . 1 . 1 52 52 ILE HB H 1 1.195 0.01 . . . . . . . 52 ILE HB . 50804 1 570 . 1 . 1 52 52 ILE HG12 H 1 0.987 0.01 . . . . . . . 52 ILE HG12 . 50804 1 571 . 1 . 1 52 52 ILE HG13 H 1 0.552 0.01 . . . . . . . 52 ILE HG13 . 50804 1 572 . 1 . 1 52 52 ILE HG21 H 1 0.255 0.01 . . . . . . . 52 ILE HG2 . 50804 1 573 . 1 . 1 52 52 ILE HG22 H 1 0.255 0.01 . . . . . . . 52 ILE HG2 . 50804 1 574 . 1 . 1 52 52 ILE HG23 H 1 0.255 0.01 . . . . . . . 52 ILE HG2 . 50804 1 575 . 1 . 1 52 52 ILE HD11 H 1 -0.064 0.00 . . . . . . . 52 ILE HD1 . 50804 1 576 . 1 . 1 52 52 ILE HD12 H 1 -0.064 0.00 . . . . . . . 52 ILE HD1 . 50804 1 577 . 1 . 1 52 52 ILE HD13 H 1 -0.064 0.00 . . . . . . . 52 ILE HD1 . 50804 1 578 . 1 . 1 52 52 ILE C C 13 174.045 0.00 . . . . . . . 52 ILE C . 50804 1 579 . 1 . 1 52 52 ILE CA C 13 59.009 0.01 . . . . . . . 52 ILE CA . 50804 1 580 . 1 . 1 52 52 ILE CB C 13 41.533 0.10 . . . . . . . 52 ILE CB . 50804 1 581 . 1 . 1 52 52 ILE CG1 C 13 26.318 0.10 . . . . . . . 52 ILE CG1 . 50804 1 582 . 1 . 1 52 52 ILE CG2 C 13 17.014 0.15 . . . . . . . 52 ILE CG2 . 50804 1 583 . 1 . 1 52 52 ILE CD1 C 13 13.545 0.03 . . . . . . . 52 ILE CD1 . 50804 1 584 . 1 . 1 52 52 ILE N N 15 121.145 0.03 . . . . . . . 52 ILE N . 50804 1 585 . 1 . 1 53 53 THR H H 1 8.843 0.01 . . . . . . . 53 THR H . 50804 1 586 . 1 . 1 53 53 THR HA H 1 4.980 0.00 . . . . . . . 53 THR HA . 50804 1 587 . 1 . 1 53 53 THR HB H 1 3.877 0.01 . . . . . . . 53 THR HB . 50804 1 588 . 1 . 1 53 53 THR HG21 H 1 1.002 0.00 . . . . . . . 53 THR HG2 . 50804 1 589 . 1 . 1 53 53 THR HG22 H 1 1.002 0.00 . . . . . . . 53 THR HG2 . 50804 1 590 . 1 . 1 53 53 THR HG23 H 1 1.002 0.00 . . . . . . . 53 THR HG2 . 50804 1 591 . 1 . 1 53 53 THR C C 13 174.025 0.02 . . . . . . . 53 THR C . 50804 1 592 . 1 . 1 53 53 THR CA C 13 61.000 0.11 . . . . . . . 53 THR CA . 50804 1 593 . 1 . 1 53 53 THR CB C 13 69.070 0.07 . . . . . . . 53 THR CB . 50804 1 594 . 1 . 1 53 53 THR CG2 C 13 21.373 0.00 . . . . . . . 53 THR CG2 . 50804 1 595 . 1 . 1 53 53 THR N N 15 122.732 0.03 . . . . . . . 53 THR N . 50804 1 596 . 1 . 1 54 54 PHE H H 1 8.779 0.02 . . . . . . . 54 PHE H . 50804 1 597 . 1 . 1 54 54 PHE HA H 1 4.700 0.01 . . . . . . . 54 PHE HA . 50804 1 598 . 1 . 1 54 54 PHE HB2 H 1 3.652 0.01 . . . . . . . 54 PHE HB2 . 50804 1 599 . 1 . 1 54 54 PHE HB3 H 1 2.764 0.00 . . . . . . . 54 PHE HB3 . 50804 1 600 . 1 . 1 54 54 PHE HZ H 1 7.177 0.01 . . . . . . . 54 PHE HZ . 50804 1 601 . 1 . 1 54 54 PHE C C 13 175.253 0.00 . . . . . . . 54 PHE C . 50804 1 602 . 1 . 1 54 54 PHE CA C 13 58.210 0.05 . . . . . . . 54 PHE CA . 50804 1 603 . 1 . 1 54 54 PHE CB C 13 39.832 0.05 . . . . . . . 54 PHE CB . 50804 1 604 . 1 . 1 54 54 PHE CZ C 13 119.938 0.17 . . . . . . . 54 PHE CZ . 50804 1 605 . 1 . 1 54 54 PHE N N 15 127.658 0.04 . . . . . . . 54 PHE N . 50804 1 606 . 1 . 1 55 55 THR H H 1 8.048 0.02 . . . . . . . 55 THR H . 50804 1 607 . 1 . 1 55 55 THR HA H 1 3.914 0.01 . . . . . . . 55 THR HA . 50804 1 608 . 1 . 1 55 55 THR HB H 1 4.007 0.00 . . . . . . . 55 THR HB . 50804 1 609 . 1 . 1 55 55 THR HG21 H 1 1.198 0.02 . . . . . . . 55 THR HG2 . 50804 1 610 . 1 . 1 55 55 THR HG22 H 1 1.198 0.02 . . . . . . . 55 THR HG2 . 50804 1 611 . 1 . 1 55 55 THR HG23 H 1 1.198 0.02 . . . . . . . 55 THR HG2 . 50804 1 612 . 1 . 1 55 55 THR C C 13 173.754 0.00 . . . . . . . 55 THR C . 50804 1 613 . 1 . 1 55 55 THR CA C 13 65.156 0.02 . . . . . . . 55 THR CA . 50804 1 614 . 1 . 1 55 55 THR CB C 13 68.406 0.04 . . . . . . . 55 THR CB . 50804 1 615 . 1 . 1 55 55 THR CG2 C 13 21.807 0.00 . . . . . . . 55 THR CG2 . 50804 1 616 . 1 . 1 55 55 THR N N 15 117.613 0.11 . . . . . . . 55 THR N . 50804 1 617 . 1 . 1 56 56 ASN H H 1 9.531 0.00 . . . . . . . 56 ASN H . 50804 1 618 . 1 . 1 56 56 ASN HA H 1 5.122 0.00 . . . . . . . 56 ASN HA . 50804 1 619 . 1 . 1 56 56 ASN HB2 H 1 2.380 0.00 . . . . . . . 56 ASN HB . 50804 1 620 . 1 . 1 56 56 ASN HB3 H 1 2.380 0.00 . . . . . . . 56 ASN HB . 50804 1 621 . 1 . 1 56 56 ASN HD21 H 1 7.154 0.01 . . . . . . . 56 ASN HD21 . 50804 1 622 . 1 . 1 56 56 ASN HD22 H 1 6.995 0.00 . . . . . . . 56 ASN HD22 . 50804 1 623 . 1 . 1 56 56 ASN C C 13 174.742 0.00 . . . . . . . 56 ASN C . 50804 1 624 . 1 . 1 56 56 ASN CA C 13 48.574 0.06 . . . . . . . 56 ASN CA . 50804 1 625 . 1 . 1 56 56 ASN CB C 13 37.665 0.09 . . . . . . . 56 ASN CB . 50804 1 626 . 1 . 1 56 56 ASN N N 15 119.914 0.04 . . . . . . . 56 ASN N . 50804 1 627 . 1 . 1 56 56 ASN ND2 N 15 111.887 0.05 . . . . . . . 56 ASN ND2 . 50804 1 628 . 1 . 1 57 57 PRO HA H 1 4.101 0.00 . . . . . . . 57 PRO HA . 50804 1 629 . 1 . 1 57 57 PRO HB2 H 1 2.175 0.00 . . . . . . . 57 PRO HB2 . 50804 1 630 . 1 . 1 57 57 PRO HB3 H 1 2.040 0.00 . . . . . . . 57 PRO HB3 . 50804 1 631 . 1 . 1 57 57 PRO HG2 H 1 2.115 0.00 . . . . . . . 57 PRO HG2 . 50804 1 632 . 1 . 1 57 57 PRO HG3 H 1 1.853 0.00 . . . . . . . 57 PRO HG3 . 50804 1 633 . 1 . 1 57 57 PRO HD2 H 1 4.052 0.00 . . . . . . . 57 PRO HD2 . 50804 1 634 . 1 . 1 57 57 PRO HD3 H 1 3.866 0.00 . . . . . . . 57 PRO HD3 . 50804 1 635 . 1 . 1 57 57 PRO C C 13 178.362 0.01 . . . . . . . 57 PRO C . 50804 1 636 . 1 . 1 57 57 PRO CA C 13 64.749 0.01 . . . . . . . 57 PRO CA . 50804 1 637 . 1 . 1 57 57 PRO CB C 13 31.613 0.03 . . . . . . . 57 PRO CB . 50804 1 638 . 1 . 1 57 57 PRO CG C 13 27.114 0.03 . . . . . . . 57 PRO CG . 50804 1 639 . 1 . 1 57 57 PRO CD C 13 50.656 0.04 . . . . . . . 57 PRO CD . 50804 1 640 . 1 . 1 58 58 GLU H H 1 8.421 0.02 . . . . . . . 58 GLU H . 50804 1 641 . 1 . 1 58 58 GLU HA H 1 4.117 0.01 . . . . . . . 58 GLU HA . 50804 1 642 . 1 . 1 58 58 GLU HB2 H 1 1.895 0.00 . . . . . . . 58 GLU HB . 50804 1 643 . 1 . 1 58 58 GLU HB3 H 1 1.895 0.00 . . . . . . . 58 GLU HB . 50804 1 644 . 1 . 1 58 58 GLU HG2 H 1 2.237 0.01 . . . . . . . 58 GLU HG . 50804 1 645 . 1 . 1 58 58 GLU HG3 H 1 2.237 0.01 . . . . . . . 58 GLU HG . 50804 1 646 . 1 . 1 58 58 GLU C C 13 179.220 0.00 . . . . . . . 58 GLU C . 50804 1 647 . 1 . 1 58 58 GLU CA C 13 58.495 0.03 . . . . . . . 58 GLU CA . 50804 1 648 . 1 . 1 58 58 GLU CB C 13 28.389 0.01 . . . . . . . 58 GLU CB . 50804 1 649 . 1 . 1 58 58 GLU CG C 13 35.690 0.05 . . . . . . . 58 GLU CG . 50804 1 650 . 1 . 1 58 58 GLU N N 15 117.918 0.05 . . . . . . . 58 GLU N . 50804 1 651 . 1 . 1 59 59 HIS H H 1 7.524 0.02 . . . . . . . 59 HIS H . 50804 1 652 . 1 . 1 59 59 HIS HA H 1 4.359 0.00 . . . . . . . 59 HIS HA . 50804 1 653 . 1 . 1 59 59 HIS HB2 H 1 3.203 0.01 . . . . . . . 59 HIS HB2 . 50804 1 654 . 1 . 1 59 59 HIS HB3 H 1 2.710 0.00 . . . . . . . 59 HIS HB3 . 50804 1 655 . 1 . 1 59 59 HIS C C 13 176.924 0.00 . . . . . . . 59 HIS C . 50804 1 656 . 1 . 1 59 59 HIS CA C 13 56.055 0.04 . . . . . . . 59 HIS CA . 50804 1 657 . 1 . 1 59 59 HIS CB C 13 30.732 0.02 . . . . . . . 59 HIS CB . 50804 1 658 . 1 . 1 59 59 HIS N N 15 119.180 0.03 . . . . . . . 59 HIS N . 50804 1 659 . 1 . 1 60 60 ALA H H 1 6.863 0.02 . . . . . . . 60 ALA H . 50804 1 660 . 1 . 1 60 60 ALA HA H 1 3.537 0.01 . . . . . . . 60 ALA HA . 50804 1 661 . 1 . 1 60 60 ALA HB1 H 1 1.627 0.01 . . . . . . . 60 ALA HB . 50804 1 662 . 1 . 1 60 60 ALA HB2 H 1 1.627 0.01 . . . . . . . 60 ALA HB . 50804 1 663 . 1 . 1 60 60 ALA HB3 H 1 1.627 0.01 . . . . . . . 60 ALA HB . 50804 1 664 . 1 . 1 60 60 ALA C C 13 178.864 0.00 . . . . . . . 60 ALA C . 50804 1 665 . 1 . 1 60 60 ALA CA C 13 54.194 0.05 . . . . . . . 60 ALA CA . 50804 1 666 . 1 . 1 60 60 ALA CB C 13 17.194 0.05 . . . . . . . 60 ALA CB . 50804 1 667 . 1 . 1 60 60 ALA N N 15 118.831 0.05 . . . . . . . 60 ALA N . 50804 1 668 . 1 . 1 61 61 SER H H 1 7.465 0.01 . . . . . . . 61 SER H . 50804 1 669 . 1 . 1 61 61 SER HA H 1 4.059 0.02 . . . . . . . 61 SER HA . 50804 1 670 . 1 . 1 61 61 SER C C 13 176.373 0.00 . . . . . . . 61 SER C . 50804 1 671 . 1 . 1 61 61 SER CA C 13 61.961 0.05 . . . . . . . 61 SER CA . 50804 1 672 . 1 . 1 61 61 SER N N 15 112.401 0.05 . . . . . . . 61 SER N . 50804 1 673 . 1 . 1 62 62 VAL H H 1 7.181 0.01 . . . . . . . 62 VAL H . 50804 1 674 . 1 . 1 62 62 VAL HA H 1 3.504 0.00 . . . . . . . 62 VAL HA . 50804 1 675 . 1 . 1 62 62 VAL HB H 1 2.160 0.01 . . . . . . . 62 VAL HB . 50804 1 676 . 1 . 1 62 62 VAL HG11 H 1 1.062 0.01 . . . . . . . 62 VAL HG1 . 50804 1 677 . 1 . 1 62 62 VAL HG12 H 1 1.062 0.01 . . . . . . . 62 VAL HG1 . 50804 1 678 . 1 . 1 62 62 VAL HG13 H 1 1.062 0.01 . . . . . . . 62 VAL HG1 . 50804 1 679 . 1 . 1 62 62 VAL HG21 H 1 1.128 0.01 . . . . . . . 62 VAL HG2 . 50804 1 680 . 1 . 1 62 62 VAL HG22 H 1 1.128 0.01 . . . . . . . 62 VAL HG2 . 50804 1 681 . 1 . 1 62 62 VAL HG23 H 1 1.128 0.01 . . . . . . . 62 VAL HG2 . 50804 1 682 . 1 . 1 62 62 VAL C C 13 178.180 0.01 . . . . . . . 62 VAL C . 50804 1 683 . 1 . 1 62 62 VAL CA C 13 65.689 0.07 . . . . . . . 62 VAL CA . 50804 1 684 . 1 . 1 62 62 VAL CB C 13 31.226 0.08 . . . . . . . 62 VAL CB . 50804 1 685 . 1 . 1 62 62 VAL CG1 C 13 20.951 0.03 . . . . . . . 62 VAL CG1 . 50804 1 686 . 1 . 1 62 62 VAL CG2 C 13 21.581 0.02 . . . . . . . 62 VAL CG2 . 50804 1 687 . 1 . 1 62 62 VAL N N 15 121.813 0.09 . . . . . . . 62 VAL N . 50804 1 688 . 1 . 1 63 63 ALA H H 1 7.777 0.00 . . . . . . . 63 ALA H . 50804 1 689 . 1 . 1 63 63 ALA HA H 1 2.240 0.02 . . . . . . . 63 ALA HA . 50804 1 690 . 1 . 1 63 63 ALA HB1 H 1 0.988 0.01 . . . . . . . 63 ALA HB . 50804 1 691 . 1 . 1 63 63 ALA HB2 H 1 0.988 0.01 . . . . . . . 63 ALA HB . 50804 1 692 . 1 . 1 63 63 ALA HB3 H 1 0.988 0.01 . . . . . . . 63 ALA HB . 50804 1 693 . 1 . 1 63 63 ALA C C 13 178.768 0.00 . . . . . . . 63 ALA C . 50804 1 694 . 1 . 1 63 63 ALA CA C 13 53.929 0.02 . . . . . . . 63 ALA CA . 50804 1 695 . 1 . 1 63 63 ALA CB C 13 19.309 0.09 . . . . . . . 63 ALA CB . 50804 1 696 . 1 . 1 63 63 ALA N N 15 121.642 0.05 . . . . . . . 63 ALA N . 50804 1 697 . 1 . 1 64 64 MET H H 1 8.170 0.01 . . . . . . . 64 MET H . 50804 1 698 . 1 . 1 64 64 MET HA H 1 3.655 0.01 . . . . . . . 64 MET HA . 50804 1 699 . 1 . 1 64 64 MET HB2 H 1 2.098 0.01 . . . . . . . 64 MET HB2 . 50804 1 700 . 1 . 1 64 64 MET HB3 H 1 1.878 0.00 . . . . . . . 64 MET HB3 . 50804 1 701 . 1 . 1 64 64 MET HG2 H 1 2.244 0.00 . . . . . . . 64 MET HG . 50804 1 702 . 1 . 1 64 64 MET HG3 H 1 2.244 0.00 . . . . . . . 64 MET HG . 50804 1 703 . 1 . 1 64 64 MET C C 13 177.024 0.01 . . . . . . . 64 MET C . 50804 1 704 . 1 . 1 64 64 MET CA C 13 59.080 0.04 . . . . . . . 64 MET CA . 50804 1 705 . 1 . 1 64 64 MET CB C 13 32.005 0.07 . . . . . . . 64 MET CB . 50804 1 706 . 1 . 1 64 64 MET CG C 13 30.699 0.06 . . . . . . . 64 MET CG . 50804 1 707 . 1 . 1 64 64 MET N N 15 116.394 0.03 . . . . . . . 64 MET N . 50804 1 708 . 1 . 1 65 65 ARG H H 1 7.318 0.01 . . . . . . . 65 ARG H . 50804 1 709 . 1 . 1 65 65 ARG HA H 1 4.040 0.01 . . . . . . . 65 ARG HA . 50804 1 710 . 1 . 1 65 65 ARG HB2 H 1 1.865 0.01 . . . . . . . 65 ARG HB . 50804 1 711 . 1 . 1 65 65 ARG HB3 H 1 1.865 0.01 . . . . . . . 65 ARG HB . 50804 1 712 . 1 . 1 65 65 ARG HG2 H 1 1.671 0.00 . . . . . . . 65 ARG HG . 50804 1 713 . 1 . 1 65 65 ARG HG3 H 1 1.671 0.00 . . . . . . . 65 ARG HG . 50804 1 714 . 1 . 1 65 65 ARG HD2 H 1 3.318 0.00 . . . . . . . 65 ARG HD . 50804 1 715 . 1 . 1 65 65 ARG HD3 H 1 3.318 0.00 . . . . . . . 65 ARG HD . 50804 1 716 . 1 . 1 65 65 ARG C C 13 178.237 0.01 . . . . . . . 65 ARG C . 50804 1 717 . 1 . 1 65 65 ARG CA C 13 58.142 0.07 . . . . . . . 65 ARG CA . 50804 1 718 . 1 . 1 65 65 ARG CB C 13 29.476 0.02 . . . . . . . 65 ARG CB . 50804 1 719 . 1 . 1 65 65 ARG CG C 13 27.179 0.00 . . . . . . . 65 ARG CG . 50804 1 720 . 1 . 1 65 65 ARG CD C 13 42.951 0.00 . . . . . . . 65 ARG CD . 50804 1 721 . 1 . 1 65 65 ARG N N 15 116.681 0.04 . . . . . . . 65 ARG N . 50804 1 722 . 1 . 1 66 66 ALA H H 1 7.652 0.02 . . . . . . . 66 ALA H . 50804 1 723 . 1 . 1 66 66 ALA HA H 1 4.221 0.01 . . . . . . . 66 ALA HA . 50804 1 724 . 1 . 1 66 66 ALA HB1 H 1 1.358 0.01 . . . . . . . 66 ALA HB . 50804 1 725 . 1 . 1 66 66 ALA HB2 H 1 1.358 0.01 . . . . . . . 66 ALA HB . 50804 1 726 . 1 . 1 66 66 ALA HB3 H 1 1.358 0.01 . . . . . . . 66 ALA HB . 50804 1 727 . 1 . 1 66 66 ALA C C 13 179.531 0.01 . . . . . . . 66 ALA C . 50804 1 728 . 1 . 1 66 66 ALA CA C 13 53.605 0.02 . . . . . . . 66 ALA CA . 50804 1 729 . 1 . 1 66 66 ALA CB C 13 20.103 0.05 . . . . . . . 66 ALA CB . 50804 1 730 . 1 . 1 66 66 ALA N N 15 118.763 0.04 . . . . . . . 66 ALA N . 50804 1 731 . 1 . 1 67 67 MET H H 1 7.933 0.01 . . . . . . . 67 MET H . 50804 1 732 . 1 . 1 67 67 MET HA H 1 4.770 0.00 . . . . . . . 67 MET HA . 50804 1 733 . 1 . 1 67 67 MET HB2 H 1 2.177 0.00 . . . . . . . 67 MET HB2 . 50804 1 734 . 1 . 1 67 67 MET HB3 H 1 1.763 0.00 . . . . . . . 67 MET HB3 . 50804 1 735 . 1 . 1 67 67 MET HG2 H 1 1.993 0.00 . . . . . . . 67 MET HG . 50804 1 736 . 1 . 1 67 67 MET HG3 H 1 1.993 0.00 . . . . . . . 67 MET HG . 50804 1 737 . 1 . 1 67 67 MET HE1 H 1 1.559 0.01 . . . . . . . 67 MET HE . 50804 1 738 . 1 . 1 67 67 MET HE2 H 1 1.559 0.01 . . . . . . . 67 MET HE . 50804 1 739 . 1 . 1 67 67 MET HE3 H 1 1.559 0.01 . . . . . . . 67 MET HE . 50804 1 740 . 1 . 1 67 67 MET C C 13 177.611 0.00 . . . . . . . 67 MET C . 50804 1 741 . 1 . 1 67 67 MET CA C 13 53.096 0.06 . . . . . . . 67 MET CA . 50804 1 742 . 1 . 1 67 67 MET CB C 13 32.001 0.08 . . . . . . . 67 MET CB . 50804 1 743 . 1 . 1 67 67 MET CG C 13 32.056 0.01 . . . . . . . 67 MET CG . 50804 1 744 . 1 . 1 67 67 MET CE C 13 15.212 0.01 . . . . . . . 67 MET CE . 50804 1 745 . 1 . 1 67 67 MET N N 15 110.849 0.05 . . . . . . . 67 MET N . 50804 1 746 . 1 . 1 68 68 ASN H H 1 7.746 0.00 . . . . . . . 68 ASN H . 50804 1 747 . 1 . 1 68 68 ASN HA H 1 4.373 0.01 . . . . . . . 68 ASN HA . 50804 1 748 . 1 . 1 68 68 ASN HB2 H 1 3.135 0.00 . . . . . . . 68 ASN HB2 . 50804 1 749 . 1 . 1 68 68 ASN HB3 H 1 2.960 0.01 . . . . . . . 68 ASN HB3 . 50804 1 750 . 1 . 1 68 68 ASN HD21 H 1 7.749 0.00 . . . . . . . 68 ASN HD21 . 50804 1 751 . 1 . 1 68 68 ASN HD22 H 1 6.942 0.00 . . . . . . . 68 ASN HD22 . 50804 1 752 . 1 . 1 68 68 ASN C C 13 176.223 0.00 . . . . . . . 68 ASN C . 50804 1 753 . 1 . 1 68 68 ASN CA C 13 56.113 0.08 . . . . . . . 68 ASN CA . 50804 1 754 . 1 . 1 68 68 ASN CB C 13 37.821 0.09 . . . . . . . 68 ASN CB . 50804 1 755 . 1 . 1 68 68 ASN N N 15 117.791 0.04 . . . . . . . 68 ASN N . 50804 1 756 . 1 . 1 68 68 ASN ND2 N 15 114.890 0.08 . . . . . . . 68 ASN ND2 . 50804 1 757 . 1 . 1 69 69 GLY H H 1 8.662 0.01 . . . . . . . 69 GLY H . 50804 1 758 . 1 . 1 69 69 GLY HA2 H 1 4.288 0.01 . . . . . . . 69 GLY HA2 . 50804 1 759 . 1 . 1 69 69 GLY HA3 H 1 3.700 0.00 . . . . . . . 69 GLY HA3 . 50804 1 760 . 1 . 1 69 69 GLY C C 13 174.165 0.03 . . . . . . . 69 GLY C . 50804 1 761 . 1 . 1 69 69 GLY CA C 13 45.223 0.03 . . . . . . . 69 GLY CA . 50804 1 762 . 1 . 1 69 69 GLY N N 15 116.961 0.14 . . . . . . . 69 GLY N . 50804 1 763 . 1 . 1 70 70 GLU H H 1 7.770 0.01 . . . . . . . 70 GLU H . 50804 1 764 . 1 . 1 70 70 GLU HA H 1 4.323 0.01 . . . . . . . 70 GLU HA . 50804 1 765 . 1 . 1 70 70 GLU HB2 H 1 2.090 0.01 . . . . . . . 70 GLU HB . 50804 1 766 . 1 . 1 70 70 GLU HB3 H 1 2.090 0.01 . . . . . . . 70 GLU HB . 50804 1 767 . 1 . 1 70 70 GLU HG2 H 1 2.653 0.01 . . . . . . . 70 GLU HG2 . 50804 1 768 . 1 . 1 70 70 GLU HG3 H 1 2.159 0.01 . . . . . . . 70 GLU HG3 . 50804 1 769 . 1 . 1 70 70 GLU C C 13 174.783 0.00 . . . . . . . 70 GLU C . 50804 1 770 . 1 . 1 70 70 GLU CA C 13 54.937 0.01 . . . . . . . 70 GLU CA . 50804 1 771 . 1 . 1 70 70 GLU CB C 13 29.893 0.03 . . . . . . . 70 GLU CB . 50804 1 772 . 1 . 1 70 70 GLU CG C 13 36.397 0.00 . . . . . . . 70 GLU CG . 50804 1 773 . 1 . 1 70 70 GLU N N 15 120.967 0.09 . . . . . . . 70 GLU N . 50804 1 774 . 1 . 1 71 71 SER H H 1 8.498 0.00 . . . . . . . 71 SER H . 50804 1 775 . 1 . 1 71 71 SER HA H 1 5.078 0.01 . . . . . . . 71 SER HA . 50804 1 776 . 1 . 1 71 71 SER HB2 H 1 3.654 0.00 . . . . . . . 71 SER HB2 . 50804 1 777 . 1 . 1 71 71 SER HB3 H 1 3.594 0.00 . . . . . . . 71 SER HB3 . 50804 1 778 . 1 . 1 71 71 SER C C 13 174.199 0.01 . . . . . . . 71 SER C . 50804 1 779 . 1 . 1 71 71 SER CA C 13 56.984 0.05 . . . . . . . 71 SER CA . 50804 1 780 . 1 . 1 71 71 SER CB C 13 63.704 0.04 . . . . . . . 71 SER CB . 50804 1 781 . 1 . 1 71 71 SER N N 15 114.407 0.04 . . . . . . . 71 SER N . 50804 1 782 . 1 . 1 72 72 LEU H H 1 8.958 0.00 . . . . . . . 72 LEU H . 50804 1 783 . 1 . 1 72 72 LEU HA H 1 4.279 0.01 . . . . . . . 72 LEU HA . 50804 1 784 . 1 . 1 72 72 LEU HB2 H 1 1.503 0.00 . . . . . . . 72 LEU HB2 . 50804 1 785 . 1 . 1 72 72 LEU HB3 H 1 1.013 0.01 . . . . . . . 72 LEU HB3 . 50804 1 786 . 1 . 1 72 72 LEU HG H 1 0.834 0.01 . . . . . . . 72 LEU HG . 50804 1 787 . 1 . 1 72 72 LEU HD11 H 1 0.437 0.01 . . . . . . . 72 LEU HD1 . 50804 1 788 . 1 . 1 72 72 LEU HD12 H 1 0.437 0.01 . . . . . . . 72 LEU HD1 . 50804 1 789 . 1 . 1 72 72 LEU HD13 H 1 0.437 0.01 . . . . . . . 72 LEU HD1 . 50804 1 790 . 1 . 1 72 72 LEU HD21 H 1 0.475 0.00 . . . . . . . 72 LEU HD2 . 50804 1 791 . 1 . 1 72 72 LEU HD22 H 1 0.475 0.00 . . . . . . . 72 LEU HD2 . 50804 1 792 . 1 . 1 72 72 LEU HD23 H 1 0.475 0.00 . . . . . . . 72 LEU HD2 . 50804 1 793 . 1 . 1 72 72 LEU C C 13 176.462 0.02 . . . . . . . 72 LEU C . 50804 1 794 . 1 . 1 72 72 LEU CA C 13 54.441 0.03 . . . . . . . 72 LEU CA . 50804 1 795 . 1 . 1 72 72 LEU CB C 13 43.853 0.04 . . . . . . . 72 LEU CB . 50804 1 796 . 1 . 1 72 72 LEU CG C 13 27.318 0.03 . . . . . . . 72 LEU CG . 50804 1 797 . 1 . 1 72 72 LEU CD1 C 13 24.212 0.07 . . . . . . . 72 LEU CD1 . 50804 1 798 . 1 . 1 72 72 LEU CD2 C 13 24.475 0.05 . . . . . . . 72 LEU CD2 . 50804 1 799 . 1 . 1 72 72 LEU N N 15 127.405 0.05 . . . . . . . 72 LEU N . 50804 1 800 . 1 . 1 73 73 ASP H H 1 9.488 0.01 . . . . . . . 73 ASP H . 50804 1 801 . 1 . 1 73 73 ASP HA H 1 4.229 0.01 . . . . . . . 73 ASP HA . 50804 1 802 . 1 . 1 73 73 ASP HB2 H 1 2.862 0.01 . . . . . . . 73 ASP HB2 . 50804 1 803 . 1 . 1 73 73 ASP HB3 H 1 2.364 0.01 . . . . . . . 73 ASP HB3 . 50804 1 804 . 1 . 1 73 73 ASP C C 13 175.859 0.01 . . . . . . . 73 ASP C . 50804 1 805 . 1 . 1 73 73 ASP CA C 13 54.545 0.04 . . . . . . . 73 ASP CA . 50804 1 806 . 1 . 1 73 73 ASP CB C 13 38.791 0.08 . . . . . . . 73 ASP CB . 50804 1 807 . 1 . 1 73 73 ASP N N 15 128.500 0.09 . . . . . . . 73 ASP N . 50804 1 808 . 1 . 1 74 74 GLY H H 1 8.450 0.00 . . . . . . . 74 GLY H . 50804 1 809 . 1 . 1 74 74 GLY HA2 H 1 4.053 0.01 . . . . . . . 74 GLY HA2 . 50804 1 810 . 1 . 1 74 74 GLY HA3 H 1 3.568 0.00 . . . . . . . 74 GLY HA3 . 50804 1 811 . 1 . 1 74 74 GLY C C 13 174.036 0.01 . . . . . . . 74 GLY C . 50804 1 812 . 1 . 1 74 74 GLY CA C 13 45.015 0.05 . . . . . . . 74 GLY CA . 50804 1 813 . 1 . 1 74 74 GLY N N 15 101.954 0.04 . . . . . . . 74 GLY N . 50804 1 814 . 1 . 1 75 75 ARG H H 1 7.326 0.02 . . . . . . . 75 ARG H . 50804 1 815 . 1 . 1 75 75 ARG HA H 1 4.628 0.01 . . . . . . . 75 ARG HA . 50804 1 816 . 1 . 1 75 75 ARG HB2 H 1 1.958 0.01 . . . . . . . 75 ARG HB . 50804 1 817 . 1 . 1 75 75 ARG HB3 H 1 1.958 0.01 . . . . . . . 75 ARG HB . 50804 1 818 . 1 . 1 75 75 ARG HG2 H 1 1.657 0.01 . . . . . . . 75 ARG HG . 50804 1 819 . 1 . 1 75 75 ARG HG3 H 1 1.657 0.01 . . . . . . . 75 ARG HG . 50804 1 820 . 1 . 1 75 75 ARG HD2 H 1 3.167 0.00 . . . . . . . 75 ARG HD . 50804 1 821 . 1 . 1 75 75 ARG HD3 H 1 3.167 0.00 . . . . . . . 75 ARG HD . 50804 1 822 . 1 . 1 75 75 ARG HE H 1 7.154 0.00 . . . . . . . 75 ARG HE . 50804 1 823 . 1 . 1 75 75 ARG C C 13 174.229 0.00 . . . . . . . 75 ARG C . 50804 1 824 . 1 . 1 75 75 ARG CA C 13 52.287 0.05 . . . . . . . 75 ARG CA . 50804 1 825 . 1 . 1 75 75 ARG CB C 13 31.973 0.03 . . . . . . . 75 ARG CB . 50804 1 826 . 1 . 1 75 75 ARG CD C 13 41.590 0.00 . . . . . . . 75 ARG CD . 50804 1 827 . 1 . 1 75 75 ARG N N 15 119.233 0.05 . . . . . . . 75 ARG N . 50804 1 828 . 1 . 1 75 75 ARG NE N 15 84.570 0.06 . . . . . . . 75 ARG NE . 50804 1 829 . 1 . 1 76 76 GLN H H 1 8.368 0.00 . . . . . . . 76 GLN H . 50804 1 830 . 1 . 1 76 76 GLN HA H 1 4.476 0.01 . . . . . . . 76 GLN HA . 50804 1 831 . 1 . 1 76 76 GLN HB2 H 1 2.009 0.00 . . . . . . . 76 GLN HB . 50804 1 832 . 1 . 1 76 76 GLN HB3 H 1 2.009 0.00 . . . . . . . 76 GLN HB . 50804 1 833 . 1 . 1 76 76 GLN HG2 H 1 2.543 0.00 . . . . . . . 76 GLN HG . 50804 1 834 . 1 . 1 76 76 GLN HG3 H 1 2.543 0.00 . . . . . . . 76 GLN HG . 50804 1 835 . 1 . 1 76 76 GLN HE21 H 1 7.564 0.00 . . . . . . . 76 GLN HE21 . 50804 1 836 . 1 . 1 76 76 GLN HE22 H 1 6.755 0.00 . . . . . . . 76 GLN HE22 . 50804 1 837 . 1 . 1 76 76 GLN C C 13 176.037 0.00 . . . . . . . 76 GLN C . 50804 1 838 . 1 . 1 76 76 GLN CA C 13 55.220 0.01 . . . . . . . 76 GLN CA . 50804 1 839 . 1 . 1 76 76 GLN CB C 13 28.119 0.01 . . . . . . . 76 GLN CB . 50804 1 840 . 1 . 1 76 76 GLN CG C 13 33.628 0.09 . . . . . . . 76 GLN CG . 50804 1 841 . 1 . 1 76 76 GLN N N 15 121.344 0.05 . . . . . . . 76 GLN N . 50804 1 842 . 1 . 1 76 76 GLN NE2 N 15 112.101 0.05 . . . . . . . 76 GLN NE2 . 50804 1 843 . 1 . 1 77 77 ILE H H 1 8.344 0.01 . . . . . . . 77 ILE H . 50804 1 844 . 1 . 1 77 77 ILE HA H 1 4.735 0.01 . . . . . . . 77 ILE HA . 50804 1 845 . 1 . 1 77 77 ILE HB H 1 1.913 0.00 . . . . . . . 77 ILE HB . 50804 1 846 . 1 . 1 77 77 ILE HG12 H 1 1.423 0.00 . . . . . . . 77 ILE HG12 . 50804 1 847 . 1 . 1 77 77 ILE HG13 H 1 1.347 0.00 . . . . . . . 77 ILE HG13 . 50804 1 848 . 1 . 1 77 77 ILE HG21 H 1 0.779 0.01 . . . . . . . 77 ILE HG2 . 50804 1 849 . 1 . 1 77 77 ILE HG22 H 1 0.779 0.01 . . . . . . . 77 ILE HG2 . 50804 1 850 . 1 . 1 77 77 ILE HG23 H 1 0.779 0.01 . . . . . . . 77 ILE HG2 . 50804 1 851 . 1 . 1 77 77 ILE HD11 H 1 0.703 0.01 . . . . . . . 77 ILE HD1 . 50804 1 852 . 1 . 1 77 77 ILE HD12 H 1 0.703 0.01 . . . . . . . 77 ILE HD1 . 50804 1 853 . 1 . 1 77 77 ILE HD13 H 1 0.703 0.01 . . . . . . . 77 ILE HD1 . 50804 1 854 . 1 . 1 77 77 ILE C C 13 175.355 0.01 . . . . . . . 77 ILE C . 50804 1 855 . 1 . 1 77 77 ILE CA C 13 60.279 0.02 . . . . . . . 77 ILE CA . 50804 1 856 . 1 . 1 77 77 ILE CB C 13 39.302 0.07 . . . . . . . 77 ILE CB . 50804 1 857 . 1 . 1 77 77 ILE CG1 C 13 24.339 0.00 . . . . . . . 77 ILE CG1 . 50804 1 858 . 1 . 1 77 77 ILE CG2 C 13 18.207 0.06 . . . . . . . 77 ILE CG2 . 50804 1 859 . 1 . 1 77 77 ILE CD1 C 13 13.794 0.03 . . . . . . . 77 ILE CD1 . 50804 1 860 . 1 . 1 77 77 ILE N N 15 121.767 0.13 . . . . . . . 77 ILE N . 50804 1 861 . 1 . 1 78 78 ARG H H 1 8.373 0.01 . . . . . . . 78 ARG H . 50804 1 862 . 1 . 1 78 78 ARG HA H 1 4.979 0.01 . . . . . . . 78 ARG HA . 50804 1 863 . 1 . 1 78 78 ARG HB2 H 1 1.678 0.00 . . . . . . . 78 ARG HB . 50804 1 864 . 1 . 1 78 78 ARG HB3 H 1 1.678 0.00 . . . . . . . 78 ARG HB . 50804 1 865 . 1 . 1 78 78 ARG HG2 H 1 1.528 0.00 . . . . . . . 78 ARG HG . 50804 1 866 . 1 . 1 78 78 ARG HG3 H 1 1.528 0.00 . . . . . . . 78 ARG HG . 50804 1 867 . 1 . 1 78 78 ARG HD2 H 1 3.280 0.00 . . . . . . . 78 ARG HD2 . 50804 1 868 . 1 . 1 78 78 ARG HD3 H 1 3.220 0.00 . . . . . . . 78 ARG HD3 . 50804 1 869 . 1 . 1 78 78 ARG C C 13 174.640 0.00 . . . . . . . 78 ARG C . 50804 1 870 . 1 . 1 78 78 ARG CA C 13 53.257 0.01 . . . . . . . 78 ARG CA . 50804 1 871 . 1 . 1 78 78 ARG CB C 13 31.962 0.06 . . . . . . . 78 ARG CB . 50804 1 872 . 1 . 1 78 78 ARG CG C 13 26.803 0.00 . . . . . . . 78 ARG CG . 50804 1 873 . 1 . 1 78 78 ARG CD C 13 42.764 0.00 . . . . . . . 78 ARG CD . 50804 1 874 . 1 . 1 78 78 ARG N N 15 122.844 0.10 . . . . . . . 78 ARG N . 50804 1 875 . 1 . 1 79 79 VAL H H 1 8.671 0.01 . . . . . . . 79 VAL H . 50804 1 876 . 1 . 1 79 79 VAL HA H 1 5.351 0.01 . . . . . . . 79 VAL HA . 50804 1 877 . 1 . 1 79 79 VAL HB H 1 1.877 0.01 . . . . . . . 79 VAL HB . 50804 1 878 . 1 . 1 79 79 VAL HG11 H 1 1.014 0.01 . . . . . . . 79 VAL HG1 . 50804 1 879 . 1 . 1 79 79 VAL HG12 H 1 1.014 0.01 . . . . . . . 79 VAL HG1 . 50804 1 880 . 1 . 1 79 79 VAL HG13 H 1 1.014 0.01 . . . . . . . 79 VAL HG1 . 50804 1 881 . 1 . 1 79 79 VAL HG21 H 1 1.008 0.00 . . . . . . . 79 VAL HG2 . 50804 1 882 . 1 . 1 79 79 VAL HG22 H 1 1.008 0.00 . . . . . . . 79 VAL HG2 . 50804 1 883 . 1 . 1 79 79 VAL HG23 H 1 1.008 0.00 . . . . . . . 79 VAL HG2 . 50804 1 884 . 1 . 1 79 79 VAL C C 13 173.761 0.02 . . . . . . . 79 VAL C . 50804 1 885 . 1 . 1 79 79 VAL CA C 13 59.824 0.06 . . . . . . . 79 VAL CA . 50804 1 886 . 1 . 1 79 79 VAL CB C 13 33.894 0.12 . . . . . . . 79 VAL CB . 50804 1 887 . 1 . 1 79 79 VAL CG1 C 13 23.954 0.12 . . . . . . . 79 VAL CG1 . 50804 1 888 . 1 . 1 79 79 VAL CG2 C 13 21.750 0.06 . . . . . . . 79 VAL CG2 . 50804 1 889 . 1 . 1 79 79 VAL N N 15 123.646 0.07 . . . . . . . 79 VAL N . 50804 1 890 . 1 . 1 80 80 ASP H H 1 9.099 0.01 . . . . . . . 80 ASP H . 50804 1 891 . 1 . 1 80 80 ASP HA H 1 5.131 0.01 . . . . . . . 80 ASP HA . 50804 1 892 . 1 . 1 80 80 ASP HB2 H 1 2.726 0.01 . . . . . . . 80 ASP HB2 . 50804 1 893 . 1 . 1 80 80 ASP HB3 H 1 2.510 0.01 . . . . . . . 80 ASP HB3 . 50804 1 894 . 1 . 1 80 80 ASP C C 13 175.532 0.00 . . . . . . . 80 ASP C . 50804 1 895 . 1 . 1 80 80 ASP CA C 13 51.339 0.03 . . . . . . . 80 ASP CA . 50804 1 896 . 1 . 1 80 80 ASP CB C 13 44.659 0.05 . . . . . . . 80 ASP CB . 50804 1 897 . 1 . 1 80 80 ASP N N 15 124.922 0.05 . . . . . . . 80 ASP N . 50804 1 898 . 1 . 1 81 81 HIS H H 1 9.221 0.01 . . . . . . . 81 HIS H . 50804 1 899 . 1 . 1 81 81 HIS HA H 1 4.595 0.00 . . . . . . . 81 HIS HA . 50804 1 900 . 1 . 1 81 81 HIS HB2 H 1 3.379 0.01 . . . . . . . 81 HIS HB2 . 50804 1 901 . 1 . 1 81 81 HIS HB3 H 1 3.041 0.01 . . . . . . . 81 HIS HB3 . 50804 1 902 . 1 . 1 81 81 HIS C C 13 175.500 0.01 . . . . . . . 81 HIS C . 50804 1 903 . 1 . 1 81 81 HIS CA C 13 57.548 0.04 . . . . . . . 81 HIS CA . 50804 1 904 . 1 . 1 81 81 HIS CB C 13 28.983 0.16 . . . . . . . 81 HIS CB . 50804 1 905 . 1 . 1 81 81 HIS N N 15 121.143 0.06 . . . . . . . 81 HIS N . 50804 1 906 . 1 . 1 82 82 ALA H H 1 8.446 0.00 . . . . . . . 82 ALA H . 50804 1 907 . 1 . 1 82 82 ALA HA H 1 4.304 0.01 . . . . . . . 82 ALA HA . 50804 1 908 . 1 . 1 82 82 ALA HB1 H 1 1.367 0.01 . . . . . . . 82 ALA HB . 50804 1 909 . 1 . 1 82 82 ALA HB2 H 1 1.367 0.01 . . . . . . . 82 ALA HB . 50804 1 910 . 1 . 1 82 82 ALA HB3 H 1 1.367 0.01 . . . . . . . 82 ALA HB . 50804 1 911 . 1 . 1 82 82 ALA C C 13 178.005 0.01 . . . . . . . 82 ALA C . 50804 1 912 . 1 . 1 82 82 ALA CA C 13 52.228 0.04 . . . . . . . 82 ALA CA . 50804 1 913 . 1 . 1 82 82 ALA CB C 13 18.610 0.15 . . . . . . . 82 ALA CB . 50804 1 914 . 1 . 1 82 82 ALA N N 15 125.523 0.03 . . . . . . . 82 ALA N . 50804 1 915 . 1 . 1 83 83 GLY H H 1 8.316 0.00 . . . . . . . 83 GLY H . 50804 1 916 . 1 . 1 83 83 GLY HA2 H 1 3.921 0.01 . . . . . . . 83 GLY HA . 50804 1 917 . 1 . 1 83 83 GLY HA3 H 1 3.921 0.01 . . . . . . . 83 GLY HA . 50804 1 918 . 1 . 1 83 83 GLY C C 13 173.121 0.01 . . . . . . . 83 GLY C . 50804 1 919 . 1 . 1 83 83 GLY CA C 13 44.808 0.06 . . . . . . . 83 GLY CA . 50804 1 920 . 1 . 1 83 83 GLY N N 15 108.755 0.05 . . . . . . . 83 GLY N . 50804 1 921 . 1 . 1 84 84 LYS H H 1 7.721 0.02 . . . . . . . 84 LYS H . 50804 1 922 . 1 . 1 84 84 LYS HA H 1 4.095 0.01 . . . . . . . 84 LYS HA . 50804 1 923 . 1 . 1 84 84 LYS HB2 H 1 1.673 0.00 . . . . . . . 84 LYS HB2 . 50804 1 924 . 1 . 1 84 84 LYS HB3 H 1 1.322 0.00 . . . . . . . 84 LYS HB3 . 50804 1 925 . 1 . 1 84 84 LYS HG2 H 1 1.028 0.00 . . . . . . . 84 LYS HG . 50804 1 926 . 1 . 1 84 84 LYS HG3 H 1 1.028 0.00 . . . . . . . 84 LYS HG . 50804 1 927 . 1 . 1 84 84 LYS HD2 H 1 1.361 0.00 . . . . . . . 84 LYS HD . 50804 1 928 . 1 . 1 84 84 LYS HD3 H 1 1.361 0.00 . . . . . . . 84 LYS HD . 50804 1 929 . 1 . 1 84 84 LYS HE2 H 1 2.912 0.00 . . . . . . . 84 LYS HE . 50804 1 930 . 1 . 1 84 84 LYS HE3 H 1 2.912 0.00 . . . . . . . 84 LYS HE . 50804 1 931 . 1 . 1 84 84 LYS C C 13 181.348 0.00 . . . . . . . 84 LYS C . 50804 1 932 . 1 . 1 84 84 LYS CA C 13 56.917 0.00 . . . . . . . 84 LYS CA . 50804 1 933 . 1 . 1 84 84 LYS CB C 13 32.988 0.00 . . . . . . . 84 LYS CB . 50804 1 934 . 1 . 1 84 84 LYS N N 15 125.681 0.04 . . . . . . . 84 LYS N . 50804 1 stop_ save_