data_53194 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53194 _Entry.Title ; Backbone resonance assignment of asymmetric tetrameric Platelet Factor 4 with high proton split peaks ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-19 _Entry.Accession_date 2025-05-19 _Entry.Last_release_date 2025-05-22 _Entry.Original_release_date 2025-05-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Platelet Factor 4 in 20 mM HEPES buffer, 400 mM NaCl, pH 7.2 with high proton split peaks' _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 Qiulin Ma . . . . 53194 2 Jinfeng Huang . . . . 53194 3 Stephen Boulton . . . . 53194 4 Ellen Mak . . . . 53194 5 Madoka Akimoto . . . . 53194 6 Estefania 'Lopez Giraldo' . . . . 53194 7 Mikayla Truong . . . . 53194 8 Mercy Daka . . . . 53194 9 Angela Huynh . . . . 53194 10 Rumi Clare . . . . 53194 11 Sarah Kwok . . . . 53194 12 Ishac Nazy . . . . 53194 13 Woonghee Lee . . . . 53194 14 Giuseppe Melacini . . . . 53194 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53194 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 178 53194 '15N chemical shifts' 63 53194 '1H chemical shifts' 63 53194 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-11-08 . original BMRB . 53194 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53193 'Backbone resonance assignment of asymmetric tetrameric Platelet Factor 4 with low proton split peaks' 53194 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53194 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40921952 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Resonance assignments of asymmetric tetrameric platelet factor 4 (PF4) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 281 _Citation.Page_last 286 _Citation.Year 2025 _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 Qiulin Ma . . . . 53194 1 2 Jinfeng Huang . . . . 53194 1 3 Stephen Boulton . . . . 53194 1 4 Ellen Mak . . . . 53194 1 5 Madoka Akimoto . . . . 53194 1 6 Estefania 'Lopez Giraldo' . . . . 53194 1 7 Mikayla Truong . . . . 53194 1 8 Mercy Daka . . . . 53194 1 9 Angela Huynh . . . . 53194 1 10 Rumi Clare . . . . 53194 1 11 Sarah Kwok . . . . 53194 1 12 Ishac Nazy . . . . 53194 1 13 Woonghee Lee . . . . 53194 1 14 Giuseppe Melacini . . . . 53194 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HIT 53194 1 PF4 53194 1 'Platelet Factor 4' 53194 1 asymmetry 53194 1 tetramer 53194 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53194 _Assembly.ID 1 _Assembly.Name 'PF4 tetramer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 31200 _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 'PF4 tetramer, chain A' 1 $entity_1 . . yes native yes yes . . . 53194 1 2 'PF4 tetramer, chain B' 1 $entity_1 . . yes native yes yes . . . 53194 1 3 'PF4 tetramer, chain C' 1 $entity_1 . . yes native yes yes . . . 53194 1 4 'PF4 tetramer, chain D' 1 $entity_1 . . yes native yes yes . . . 53194 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 36 36 SG . . . . . . . . . . . . 53194 1 2 disulfide single . 1 . 1 CYS 12 12 SG . 1 . 1 CYS 52 52 SG . . . . . . . . . . . . 53194 1 3 disulfide single . 2 . 1 CYS 10 10 SG . 2 . 1 CYS 36 36 SG . . . . . . . . . . . . 53194 1 4 disulfide single . 2 . 1 CYS 12 12 SG . 2 . 1 CYS 52 52 SG . . . . . . . . . . . . 53194 1 5 disulfide single . 3 . 1 CYS 10 10 SG . 3 . 1 CYS 36 36 SG . . . . . . . . . . . . 53194 1 6 disulfide single . 3 . 1 CYS 12 12 SG . 3 . 1 CYS 52 52 SG . . . . . . . . . . . . 53194 1 7 disulfide single . 4 . 1 CYS 10 10 SG . 4 . 1 CYS 36 36 SG . . . . . . . . . . . . 53194 1 8 disulfide single . 4 . 1 CYS 12 12 SG . 4 . 1 CYS 52 52 SG . . . . . . . . . . . . 53194 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53194 _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 ; EAEEDGDLQCLCVKTTSQVR PRHITSLEVIKAGPHCPTAQ LIATLKNGRKICLDLQAPLY KKIIKKLLES ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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_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 . GLU . 53194 1 2 . ALA . 53194 1 3 . GLU . 53194 1 4 . GLU . 53194 1 5 . ASP . 53194 1 6 . GLY . 53194 1 7 . ASP . 53194 1 8 . LEU . 53194 1 9 . GLN . 53194 1 10 . CYS . 53194 1 11 . LEU . 53194 1 12 . CYS . 53194 1 13 . VAL . 53194 1 14 . LYS . 53194 1 15 . THR . 53194 1 16 . THR . 53194 1 17 . SER . 53194 1 18 . GLN . 53194 1 19 . VAL . 53194 1 20 . ARG . 53194 1 21 . PRO . 53194 1 22 . ARG . 53194 1 23 . HIS . 53194 1 24 . ILE . 53194 1 25 . THR . 53194 1 26 . SER . 53194 1 27 . LEU . 53194 1 28 . GLU . 53194 1 29 . VAL . 53194 1 30 . ILE . 53194 1 31 . LYS . 53194 1 32 . ALA . 53194 1 33 . GLY . 53194 1 34 . PRO . 53194 1 35 . HIS . 53194 1 36 . CYS . 53194 1 37 . PRO . 53194 1 38 . THR . 53194 1 39 . ALA . 53194 1 40 . GLN . 53194 1 41 . LEU . 53194 1 42 . ILE . 53194 1 43 . ALA . 53194 1 44 . THR . 53194 1 45 . LEU . 53194 1 46 . LYS . 53194 1 47 . ASN . 53194 1 48 . GLY . 53194 1 49 . ARG . 53194 1 50 . LYS . 53194 1 51 . ILE . 53194 1 52 . CYS . 53194 1 53 . LEU . 53194 1 54 . ASP . 53194 1 55 . LEU . 53194 1 56 . GLN . 53194 1 57 . ALA . 53194 1 58 . PRO . 53194 1 59 . LEU . 53194 1 60 . TYR . 53194 1 61 . LYS . 53194 1 62 . LYS . 53194 1 63 . ILE . 53194 1 64 . ILE . 53194 1 65 . LYS . 53194 1 66 . LYS . 53194 1 67 . LEU . 53194 1 68 . LEU . 53194 1 69 . GLU . 53194 1 70 . SER . 53194 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 . GLU 1 1 53194 1 . ALA 2 2 53194 1 . GLU 3 3 53194 1 . GLU 4 4 53194 1 . ASP 5 5 53194 1 . GLY 6 6 53194 1 . ASP 7 7 53194 1 . LEU 8 8 53194 1 . GLN 9 9 53194 1 . CYS 10 10 53194 1 . LEU 11 11 53194 1 . CYS 12 12 53194 1 . VAL 13 13 53194 1 . LYS 14 14 53194 1 . THR 15 15 53194 1 . THR 16 16 53194 1 . SER 17 17 53194 1 . GLN 18 18 53194 1 . VAL 19 19 53194 1 . ARG 20 20 53194 1 . PRO 21 21 53194 1 . ARG 22 22 53194 1 . HIS 23 23 53194 1 . ILE 24 24 53194 1 . THR 25 25 53194 1 . SER 26 26 53194 1 . LEU 27 27 53194 1 . GLU 28 28 53194 1 . VAL 29 29 53194 1 . ILE 30 30 53194 1 . LYS 31 31 53194 1 . ALA 32 32 53194 1 . GLY 33 33 53194 1 . PRO 34 34 53194 1 . HIS 35 35 53194 1 . CYS 36 36 53194 1 . PRO 37 37 53194 1 . THR 38 38 53194 1 . ALA 39 39 53194 1 . GLN 40 40 53194 1 . LEU 41 41 53194 1 . ILE 42 42 53194 1 . ALA 43 43 53194 1 . THR 44 44 53194 1 . LEU 45 45 53194 1 . LYS 46 46 53194 1 . ASN 47 47 53194 1 . GLY 48 48 53194 1 . ARG 49 49 53194 1 . LYS 50 50 53194 1 . ILE 51 51 53194 1 . CYS 52 52 53194 1 . LEU 53 53 53194 1 . ASP 54 54 53194 1 . LEU 55 55 53194 1 . GLN 56 56 53194 1 . ALA 57 57 53194 1 . PRO 58 58 53194 1 . LEU 59 59 53194 1 . TYR 60 60 53194 1 . LYS 61 61 53194 1 . LYS 62 62 53194 1 . ILE 63 63 53194 1 . ILE 64 64 53194 1 . LYS 65 65 53194 1 . LYS 66 66 53194 1 . LEU 67 67 53194 1 . LEU 68 68 53194 1 . GLU 69 69 53194 1 . SER 70 70 53194 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 53194 _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 . . . . . . . . . . . . . 53194 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 53194 _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 . . pET22b . . . 53194 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53194 _Sample.ID 1 _Sample.Name 'PF4 tetramer' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NMR acquired in 20 mM HEPES buffer, 400 mM NaCl, pH 7.2, 310 K' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% 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 'PF4 tetramer' '[U-100% 15N]' . . . . . . 160 . . uM . . . . 53194 1 2 'PF4 tetramer' '[U-100% 13C; U-100% 15N]' . . . . . . 160 . . uM . . . . 53194 1 3 'HEPES buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 53194 1 4 NaCl 'natural abundance' . . . . . . 400 . . mM . . . . 53194 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 53194 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'PF4_high salt_list' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 400 . mM 53194 1 pH 7.2 . pH 53194 1 pressure 1 . atm 53194 1 temperature 310 . K 53194 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53194 _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' . 53194 1 'data analysis' . 53194 1 'peak picking' . 53194 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53194 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53194 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53194 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53194 3 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 53194 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AV 850 MHz spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 53194 _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 TROSY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53194 1 2 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53194 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53194 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53194 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53194 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53194 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53194 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N TROSY' ser_PF4_wt_trosy . 'Time-domain (raw spectral data)' . . 53194 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 53194 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Backbone resonance assignment of asymmetric tetrameric Platelet Factor 4 with high proton split peaks' _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 na 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 53194 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 53194 1 N 15 na nitrogen . . . . ppm 0 internal direct 1 . . . . . 53194 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 53194 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chem shift list 1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 TROSY' . . . 53194 1 2 '3D HN(CO)CACB' . . . 53194 1 3 '3D HNCO' . . . 53194 1 4 '3D HN(CA)CO' . . . 53194 1 5 '3D HNCA' . . . 53194 1 6 '3D HN(CO)CA' . . . 53194 1 7 '3D HNCACB' . . . 53194 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 . . 53194 1 2 $software_2 . . 53194 1 3 $software_3 . . 53194 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 GLU C C 13 176.330 0.00 . 1 . . . . . 1 GLU C . 53194 1 2 . 1 . 1 1 1 GLU CA C 13 56.314 0.00 . 1 . . . . . 1 GLU CA . 53194 1 3 . 1 . 1 1 1 GLU CB C 13 29.447 0.00 . 1 . . . . . 1 GLU CB . 53194 1 4 . 1 . 1 2 2 ALA H H 1 8.448 0.00 . 1 . . . . . 2 ALA H . 53194 1 5 . 1 . 1 2 2 ALA C C 13 177.919 0.00 . 1 . . . . . 2 ALA C . 53194 1 6 . 1 . 1 2 2 ALA CA C 13 52.372 0.03 . 1 . . . . . 2 ALA CA . 53194 1 7 . 1 . 1 2 2 ALA CB C 13 18.947 0.00 . 1 . . . . . 2 ALA CB . 53194 1 8 . 1 . 1 2 2 ALA N N 15 125.446 0.03 . 1 . . . . . 2 ALA N . 53194 1 9 . 1 . 1 3 3 GLU H H 1 8.431 0.01 . 1 . . . . . 3 GLU H . 53194 1 10 . 1 . 1 3 3 GLU C C 13 176.911 0.00 . 1 . . . . . 3 GLU C . 53194 1 11 . 1 . 1 3 3 GLU CA C 13 56.359 0.08 . 1 . . . . . 3 GLU CA . 53194 1 12 . 1 . 1 3 3 GLU N N 15 120.336 0.02 . 1 . . . . . 3 GLU N . 53194 1 13 . 1 . 1 4 4 GLU H H 1 8.432 0.01 . 1 . . . . . 4 GLU H . 53194 1 14 . 1 . 1 4 4 GLU C C 13 176.485 0.00 . 1 . . . . . 4 GLU C . 53194 1 15 . 1 . 1 4 4 GLU CA C 13 56.366 0.00 . 1 . . . . . 4 GLU CA . 53194 1 16 . 1 . 1 4 4 GLU CB C 13 29.865 0.00 . 1 . . . . . 4 GLU CB . 53194 1 17 . 1 . 1 4 4 GLU N N 15 121.921 0.04 . 1 . . . . . 4 GLU N . 53194 1 18 . 1 . 1 5 5 ASP H H 1 8.364 0.01 . 1 . . . . . 5 ASP H . 53194 1 19 . 1 . 1 5 5 ASP C C 13 176.986 0.00 . 1 . . . . . 5 ASP C . 53194 1 20 . 1 . 1 5 5 ASP CA C 13 54.362 0.03 . 1 . . . . . 5 ASP CA . 53194 1 21 . 1 . 1 5 5 ASP CB C 13 41.264 0.07 . 1 . . . . . 5 ASP CB . 53194 1 22 . 1 . 1 5 5 ASP N N 15 121.944 0.02 . 1 . . . . . 5 ASP N . 53194 1 23 . 1 . 1 6 6 GLY H H 1 8.362 0.01 . 1 . . . . . 6 GLY H . 53194 1 24 . 1 . 1 6 6 GLY C C 13 174.702 0.00 . 1 . . . . . 6 GLY C . 53194 1 25 . 1 . 1 6 6 GLY CA C 13 45.276 0.00 . 1 . . . . . 6 GLY CA . 53194 1 26 . 1 . 1 6 6 GLY N N 15 109.746 0.04 . 1 . . . . . 6 GLY N . 53194 1 27 . 1 . 1 7 7 ASP H H 1 8.498 0.00 . 1 . . . . . 7 ASP H . 53194 1 28 . 1 . 1 7 7 ASP C C 13 175.328 0.00 . 1 . . . . . 7 ASP C . 53194 1 29 . 1 . 1 7 7 ASP CA C 13 55.767 0.00 . 1 . . . . . 7 ASP CA . 53194 1 30 . 1 . 1 7 7 ASP CB C 13 41.503 0.00 . 1 . . . . . 7 ASP CB . 53194 1 31 . 1 . 1 7 7 ASP N N 15 119.738 0.04 . 1 . . . . . 7 ASP N . 53194 1 32 . 1 . 1 8 8 LEU H H 1 7.656 0.01 . 1 . . . . . 8 LEU H . 53194 1 33 . 1 . 1 8 8 LEU C C 13 176.991 0.00 . 1 . . . . . 8 LEU C . 53194 1 34 . 1 . 1 8 8 LEU CA C 13 54.353 0.02 . 1 . . . . . 8 LEU CA . 53194 1 35 . 1 . 1 8 8 LEU CB C 13 44.847 0.00 . 1 . . . . . 8 LEU CB . 53194 1 36 . 1 . 1 8 8 LEU N N 15 119.344 0.09 . 1 . . . . . 8 LEU N . 53194 1 37 . 1 . 1 9 9 GLN H H 1 8.835 0.00 . 1 . . . . . 9 GLN H . 53194 1 38 . 1 . 1 9 9 GLN C C 13 175.765 0.00 . 1 . . . . . 9 GLN C . 53194 1 39 . 1 . 1 9 9 GLN CA C 13 52.965 0.01 . 1 . . . . . 9 GLN CA . 53194 1 40 . 1 . 1 9 9 GLN CB C 13 29.836 0.00 . 1 . . . . . 9 GLN CB . 53194 1 41 . 1 . 1 9 9 GLN N N 15 118.775 0.07 . 1 . . . . . 9 GLN N . 53194 1 42 . 1 . 1 10 10 CYS H H 1 7.787 0.01 . 1 . . . . . 10 CYS H . 53194 1 43 . 1 . 1 10 10 CYS C C 13 174.125 0.00 . 1 . . . . . 10 CYS C . 53194 1 44 . 1 . 1 10 10 CYS CA C 13 56.662 0.03 . 1 . . . . . 10 CYS CA . 53194 1 45 . 1 . 1 10 10 CYS CB C 13 43.369 0.00 . 1 . . . . . 10 CYS CB . 53194 1 46 . 1 . 1 10 10 CYS N N 15 114.465 0.03 . 1 . . . . . 10 CYS N . 53194 1 47 . 1 . 1 11 11 LEU H H 1 8.413 0.01 . 1 . . . . . 11 LEU H . 53194 1 48 . 1 . 1 11 11 LEU C C 13 178.191 0.00 . 1 . . . . . 11 LEU C . 53194 1 49 . 1 . 1 11 11 LEU CA C 13 57.302 0.10 . 1 . . . . . 11 LEU CA . 53194 1 50 . 1 . 1 11 11 LEU CB C 13 42.158 0.00 . 1 . . . . . 11 LEU CB . 53194 1 51 . 1 . 1 11 11 LEU N N 15 126.443 0.02 . 1 . . . . . 11 LEU N . 53194 1 52 . 1 . 1 12 12 CYS H H 1 8.635 0.01 . 1 . . . . . 12 CYS H . 53194 1 53 . 1 . 1 12 12 CYS C C 13 175.296 0.00 . 1 . . . . . 12 CYS C . 53194 1 54 . 1 . 1 12 12 CYS CA C 13 53.444 0.02 . 1 . . . . . 12 CYS CA . 53194 1 55 . 1 . 1 12 12 CYS CB C 13 38.469 0.00 . 1 . . . . . 12 CYS CB . 53194 1 56 . 1 . 1 12 12 CYS N N 15 115.163 0.00 . 1 . . . . . 12 CYS N . 53194 1 57 . 1 . 1 13 13 VAL H H 1 8.594 0.01 . 1 . . . . . 13 VAL H . 53194 1 58 . 1 . 1 13 13 VAL C C 13 176.311 0.00 . 1 . . . . . 13 VAL C . 53194 1 59 . 1 . 1 13 13 VAL CA C 13 63.802 0.09 . 1 . . . . . 13 VAL CA . 53194 1 60 . 1 . 1 13 13 VAL CB C 13 32.374 0.00 . 1 . . . . . 13 VAL CB . 53194 1 61 . 1 . 1 13 13 VAL N N 15 124.213 0.04 . 1 . . . . . 13 VAL N . 53194 1 62 . 1 . 1 14 14 LYS H H 1 8.115 0.01 . 1 . . . . . 14 LYS H . 53194 1 63 . 1 . 1 14 14 LYS C C 13 176.025 0.00 . 1 . . . . . 14 LYS C . 53194 1 64 . 1 . 1 14 14 LYS CA C 13 54.477 0.06 . 1 . . . . . 14 LYS CA . 53194 1 65 . 1 . 1 14 14 LYS CB C 13 33.917 0.00 . 1 . . . . . 14 LYS CB . 53194 1 66 . 1 . 1 14 14 LYS N N 15 120.834 0.04 . 1 . . . . . 14 LYS N . 53194 1 67 . 1 . 1 15 15 THR H H 1 8.893 0.00 . 1 . . . . . 15 THR H . 53194 1 68 . 1 . 1 15 15 THR C C 13 174.148 0.00 . 1 . . . . . 15 THR C . 53194 1 69 . 1 . 1 15 15 THR CA C 13 59.701 0.01 . 1 . . . . . 15 THR CA . 53194 1 70 . 1 . 1 15 15 THR CB C 13 70.778 0.00 . 1 . . . . . 15 THR CB . 53194 1 71 . 1 . 1 15 15 THR N N 15 116.044 0.02 . 1 . . . . . 15 THR N . 53194 1 72 . 1 . 1 16 16 THR H H 1 8.467 0.01 . 1 . . . . . 16 THR H . 53194 1 73 . 1 . 1 16 16 THR C C 13 175.128 0.00 . 1 . . . . . 16 THR C . 53194 1 74 . 1 . 1 16 16 THR CA C 13 61.010 0.04 . 1 . . . . . 16 THR CA . 53194 1 75 . 1 . 1 16 16 THR CB C 13 68.961 0.00 . 1 . . . . . 16 THR CB . 53194 1 76 . 1 . 1 16 16 THR N N 15 114.493 0.04 . 1 . . . . . 16 THR N . 53194 1 77 . 1 . 1 17 17 SER H H 1 7.795 0.01 . 1 . . . . . 17 SER H . 53194 1 78 . 1 . 1 17 17 SER C C 13 176.015 0.00 . 1 . . . . . 17 SER C . 53194 1 79 . 1 . 1 17 17 SER CA C 13 62.567 0.08 . 1 . . . . . 17 SER CA . 53194 1 80 . 1 . 1 17 17 SER CB C 13 64.720 0.00 . 1 . . . . . 17 SER CB . 53194 1 81 . 1 . 1 17 17 SER N N 15 117.124 0.08 . 1 . . . . . 17 SER N . 53194 1 82 . 1 . 1 18 18 GLN H H 1 8.097 0.01 . 1 . . . . . 18 GLN H . 53194 1 83 . 1 . 1 18 18 GLN C C 13 173.866 0.00 . 1 . . . . . 18 GLN C . 53194 1 84 . 1 . 1 18 18 GLN CA C 13 54.989 0.05 . 1 . . . . . 18 GLN CA . 53194 1 85 . 1 . 1 18 18 GLN CB C 13 28.735 0.03 . 1 . . . . . 18 GLN CB . 53194 1 86 . 1 . 1 18 18 GLN N N 15 118.687 0.03 . 1 . . . . . 18 GLN N . 53194 1 87 . 1 . 1 19 19 VAL H H 1 7.550 0.00 . 1 . . . . . 19 VAL H . 53194 1 88 . 1 . 1 19 19 VAL CA C 13 59.602 0.05 . 1 . . . . . 19 VAL CA . 53194 1 89 . 1 . 1 19 19 VAL CB C 13 33.695 0.00 . 1 . . . . . 19 VAL CB . 53194 1 90 . 1 . 1 19 19 VAL N N 15 120.737 0.04 . 1 . . . . . 19 VAL N . 53194 1 91 . 1 . 1 20 20 ARG H H 1 8.594 0.01 . 1 . . . . . 20 ARG H . 53194 1 92 . 1 . 1 20 20 ARG N N 15 126.653 0.05 . 1 . . . . . 20 ARG N . 53194 1 93 . 1 . 1 22 22 ARG C C 13 176.729 0.00 . 1 . . . . . 22 ARG C . 53194 1 94 . 1 . 1 22 22 ARG CA C 13 57.854 0.00 . 1 . . . . . 22 ARG CA . 53194 1 95 . 1 . 1 22 22 ARG CB C 13 28.852 0.00 . 1 . . . . . 22 ARG CB . 53194 1 96 . 1 . 1 23 23 HIS H H 1 8.035 0.00 . 1 . . . . . 23 HIS H . 53194 1 97 . 1 . 1 23 23 HIS C C 13 174.903 0.00 . 1 . . . . . 23 HIS C . 53194 1 98 . 1 . 1 23 23 HIS CA C 13 55.619 0.03 . 1 . . . . . 23 HIS CA . 53194 1 99 . 1 . 1 23 23 HIS CB C 13 31.655 0.02 . 1 . . . . . 23 HIS CB . 53194 1 100 . 1 . 1 23 23 HIS N N 15 118.324 0.07 . 1 . . . . . 23 HIS N . 53194 1 101 . 1 . 1 24 24 ILE H H 1 7.426 0.01 . 1 . . . . . 24 ILE H . 53194 1 102 . 1 . 1 24 24 ILE C C 13 176.360 0.00 . 1 . . . . . 24 ILE C . 53194 1 103 . 1 . 1 24 24 ILE CA C 13 61.817 0.07 . 1 . . . . . 24 ILE CA . 53194 1 104 . 1 . 1 24 24 ILE CB C 13 38.148 0.00 . 1 . . . . . 24 ILE CB . 53194 1 105 . 1 . 1 24 24 ILE N N 15 119.695 0.05 . 1 . . . . . 24 ILE N . 53194 1 106 . 1 . 1 25 25 THR H H 1 9.428 0.00 . 1 . . . . . 25 THR H . 53194 1 107 . 1 . 1 25 25 THR C C 13 175.146 0.00 . 1 . . . . . 25 THR C . 53194 1 108 . 1 . 1 25 25 THR CA C 13 62.413 0.08 . 1 . . . . . 25 THR CA . 53194 1 109 . 1 . 1 25 25 THR CB C 13 68.853 0.00 . 1 . . . . . 25 THR CB . 53194 1 110 . 1 . 1 25 25 THR N N 15 119.950 0.06 . 1 . . . . . 25 THR N . 53194 1 111 . 1 . 1 26 26 SER H H 1 7.783 0.01 . 1 . . . . . 26 SER H . 53194 1 112 . 1 . 1 26 26 SER C C 13 172.238 0.00 . 1 . . . . . 26 SER C . 53194 1 113 . 1 . 1 26 26 SER CA C 13 57.256 0.06 . 1 . . . . . 26 SER CA . 53194 1 114 . 1 . 1 26 26 SER CB C 13 65.182 0.00 . 1 . . . . . 26 SER CB . 53194 1 115 . 1 . 1 26 26 SER N N 15 116.912 0.08 . 1 . . . . . 26 SER N . 53194 1 116 . 1 . 1 27 27 LEU H H 1 8.909 0.01 . 1 . . . . . 27 LEU H . 53194 1 117 . 1 . 1 27 27 LEU C C 13 173.671 0.00 . 1 . . . . . 27 LEU C . 53194 1 118 . 1 . 1 27 27 LEU CA C 13 53.451 0.02 . 1 . . . . . 27 LEU CA . 53194 1 119 . 1 . 1 27 27 LEU CB C 13 46.920 0.00 . 1 . . . . . 27 LEU CB . 53194 1 120 . 1 . 1 27 27 LEU N N 15 124.178 0.00 . 1 . . . . . 27 LEU N . 53194 1 121 . 1 . 1 28 28 GLU H H 1 9.543 0.00 . 1 . . . . . 28 GLU H . 53194 1 122 . 1 . 1 28 28 GLU C C 13 174.280 0.00 . 1 . . . . . 28 GLU C . 53194 1 123 . 1 . 1 28 28 GLU CA C 13 54.439 0.07 . 1 . . . . . 28 GLU CA . 53194 1 124 . 1 . 1 28 28 GLU CB C 13 32.467 0.00 . 1 . . . . . 28 GLU CB . 53194 1 125 . 1 . 1 28 28 GLU N N 15 128.694 0.02 . 1 . . . . . 28 GLU N . 53194 1 126 . 1 . 1 29 29 VAL H H 1 9.373 0.00 . 1 . . . . . 29 VAL H . 53194 1 127 . 1 . 1 29 29 VAL C C 13 175.278 0.00 . 1 . . . . . 29 VAL C . 53194 1 128 . 1 . 1 29 29 VAL CA C 13 60.591 0.00 . 1 . . . . . 29 VAL CA . 53194 1 129 . 1 . 1 29 29 VAL CB C 13 31.979 0.00 . 1 . . . . . 29 VAL CB . 53194 1 130 . 1 . 1 29 29 VAL N N 15 126.987 0.00 . 1 . . . . . 29 VAL N . 53194 1 131 . 1 . 1 30 30 ILE H H 1 9.189 0.00 . 1 . . . . . 30 ILE H . 53194 1 132 . 1 . 1 30 30 ILE C C 13 176.622 0.00 . 1 . . . . . 30 ILE C . 53194 1 133 . 1 . 1 30 30 ILE CA C 13 60.695 0.08 . 1 . . . . . 30 ILE CA . 53194 1 134 . 1 . 1 30 30 ILE CB C 13 39.568 0.00 . 1 . . . . . 30 ILE CB . 53194 1 135 . 1 . 1 30 30 ILE N N 15 126.375 0.02 . 1 . . . . . 30 ILE N . 53194 1 136 . 1 . 1 31 31 LYS H H 1 7.931 0.01 . 1 . . . . . 31 LYS H . 53194 1 137 . 1 . 1 31 31 LYS C C 13 177.067 0.00 . 1 . . . . . 31 LYS C . 53194 1 138 . 1 . 1 31 31 LYS CA C 13 57.010 0.04 . 1 . . . . . 31 LYS CA . 53194 1 139 . 1 . 1 31 31 LYS CB C 13 33.973 0.00 . 1 . . . . . 31 LYS CB . 53194 1 140 . 1 . 1 31 31 LYS N N 15 127.787 0.05 . 1 . . . . . 31 LYS N . 53194 1 141 . 1 . 1 32 32 ALA H H 1 9.072 0.00 . 1 . . . . . 32 ALA H . 53194 1 142 . 1 . 1 32 32 ALA C C 13 177.431 0.00 . 1 . . . . . 32 ALA C . 53194 1 143 . 1 . 1 32 32 ALA CA C 13 52.927 0.03 . 1 . . . . . 32 ALA CA . 53194 1 144 . 1 . 1 32 32 ALA CB C 13 19.259 0.00 . 1 . . . . . 32 ALA CB . 53194 1 145 . 1 . 1 32 32 ALA N N 15 128.491 0.02 . 1 . . . . . 32 ALA N . 53194 1 146 . 1 . 1 33 33 GLY H H 1 8.135 0.00 . 1 . . . . . 33 GLY H . 53194 1 147 . 1 . 1 33 33 GLY CA C 13 45.494 0.00 . 1 . . . . . 33 GLY CA . 53194 1 148 . 1 . 1 33 33 GLY N N 15 108.771 0.04 . 1 . . . . . 33 GLY N . 53194 1 149 . 1 . 1 34 34 PRO C C 13 177.160 0.00 . 1 . . . . . 34 PRO C . 53194 1 150 . 1 . 1 34 34 PRO CA C 13 64.648 0.00 . 1 . . . . . 34 PRO CA . 53194 1 151 . 1 . 1 35 35 HIS H H 1 8.335 0.00 . 1 . . . . . 35 HIS H . 53194 1 152 . 1 . 1 35 35 HIS C C 13 174.806 0.00 . 1 . . . . . 35 HIS C . 53194 1 153 . 1 . 1 35 35 HIS CA C 13 56.159 0.07 . 1 . . . . . 35 HIS CA . 53194 1 154 . 1 . 1 35 35 HIS CB C 13 30.562 0.00 . 1 . . . . . 35 HIS CB . 53194 1 155 . 1 . 1 35 35 HIS N N 15 113.300 0.00 . 1 . . . . . 35 HIS N . 53194 1 156 . 1 . 1 36 36 CYS H H 1 7.044 0.01 . 1 . . . . . 36 CYS H . 53194 1 157 . 1 . 1 36 36 CYS CB C 13 40.982 0.00 . 1 . . . . . 36 CYS CB . 53194 1 158 . 1 . 1 36 36 CYS N N 15 116.747 0.00 . 1 . . . . . 36 CYS N . 53194 1 159 . 1 . 1 37 37 PRO C C 13 175.797 0.00 . 1 . . . . . 37 PRO C . 53194 1 160 . 1 . 1 37 37 PRO CA C 13 64.102 0.00 . 1 . . . . . 37 PRO CA . 53194 1 161 . 1 . 1 37 37 PRO CB C 13 31.781 0.00 . 1 . . . . . 37 PRO CB . 53194 1 162 . 1 . 1 38 38 THR H H 1 7.343 0.00 . 1 . . . . . 38 THR H . 53194 1 163 . 1 . 1 38 38 THR C C 13 173.611 0.00 . 1 . . . . . 38 THR C . 53194 1 164 . 1 . 1 38 38 THR CA C 13 58.928 0.00 . 1 . . . . . 38 THR CA . 53194 1 165 . 1 . 1 38 38 THR CB C 13 71.715 0.00 . 1 . . . . . 38 THR CB . 53194 1 166 . 1 . 1 38 38 THR N N 15 112.021 0.03 . 1 . . . . . 38 THR N . 53194 1 167 . 1 . 1 39 39 ALA H H 1 8.622 0.00 . 1 . . . . . 39 ALA H . 53194 1 168 . 1 . 1 39 39 ALA C C 13 177.194 0.00 . 1 . . . . . 39 ALA C . 53194 1 169 . 1 . 1 39 39 ALA CA C 13 52.526 0.06 . 1 . . . . . 39 ALA CA . 53194 1 170 . 1 . 1 39 39 ALA N N 15 126.630 0.08 . 1 . . . . . 39 ALA N . 53194 1 171 . 1 . 1 40 40 GLN H H 1 8.481 0.01 . 1 . . . . . 40 GLN H . 53194 1 172 . 1 . 1 40 40 GLN C C 13 173.484 0.00 . 1 . . . . . 40 GLN C . 53194 1 173 . 1 . 1 40 40 GLN CA C 13 54.930 0.03 . 1 . . . . . 40 GLN CA . 53194 1 174 . 1 . 1 40 40 GLN CB C 13 34.875 0.00 . 1 . . . . . 40 GLN CB . 53194 1 175 . 1 . 1 40 40 GLN N N 15 117.888 0.03 . 1 . . . . . 40 GLN N . 53194 1 176 . 1 . 1 41 41 LEU H H 1 9.568 0.00 . 1 . . . . . 41 LEU H . 53194 1 177 . 1 . 1 41 41 LEU C C 13 174.932 0.00 . 1 . . . . . 41 LEU C . 53194 1 178 . 1 . 1 41 41 LEU CA C 13 53.073 0.00 . 1 . . . . . 41 LEU CA . 53194 1 179 . 1 . 1 41 41 LEU CB C 13 44.241 0.00 . 1 . . . . . 41 LEU CB . 53194 1 180 . 1 . 1 41 41 LEU N N 15 125.625 0.03 . 1 . . . . . 41 LEU N . 53194 1 181 . 1 . 1 42 42 ILE H H 1 9.215 0.01 . 1 . . . . . 42 ILE H . 53194 1 182 . 1 . 1 42 42 ILE C C 13 176.686 0.00 . 1 . . . . . 42 ILE C . 53194 1 183 . 1 . 1 42 42 ILE CA C 13 60.282 0.02 . 1 . . . . . 42 ILE CA . 53194 1 184 . 1 . 1 42 42 ILE CB C 13 39.693 0.05 . 1 . . . . . 42 ILE CB . 53194 1 185 . 1 . 1 42 42 ILE N N 15 123.368 0.09 . 1 . . . . . 42 ILE N . 53194 1 186 . 1 . 1 43 43 ALA H H 1 9.930 0.00 . 1 . . . . . 43 ALA H . 53194 1 187 . 1 . 1 43 43 ALA C C 13 175.924 0.00 . 1 . . . . . 43 ALA C . 53194 1 188 . 1 . 1 43 43 ALA CA C 13 49.880 0.00 . 1 . . . . . 43 ALA CA . 53194 1 189 . 1 . 1 43 43 ALA CB C 13 20.376 0.00 . 1 . . . . . 43 ALA CB . 53194 1 190 . 1 . 1 43 43 ALA N N 15 134.464 0.01 . 1 . . . . . 43 ALA N . 53194 1 191 . 1 . 1 44 44 THR H H 1 8.809 0.01 . 1 . . . . . 44 THR H . 53194 1 192 . 1 . 1 44 44 THR C C 13 174.195 0.00 . 1 . . . . . 44 THR C . 53194 1 193 . 1 . 1 44 44 THR CA C 13 62.481 0.02 . 1 . . . . . 44 THR CA . 53194 1 194 . 1 . 1 44 44 THR CB C 13 69.196 0.00 . 1 . . . . . 44 THR CB . 53194 1 195 . 1 . 1 44 44 THR N N 15 118.766 0.03 . 1 . . . . . 44 THR N . 53194 1 196 . 1 . 1 45 45 LEU H H 1 9.071 0.00 . 1 . . . . . 45 LEU H . 53194 1 197 . 1 . 1 45 45 LEU C C 13 180.117 0.00 . 1 . . . . . 45 LEU C . 53194 1 198 . 1 . 1 45 45 LEU CA C 13 53.510 0.02 . 1 . . . . . 45 LEU CA . 53194 1 199 . 1 . 1 45 45 LEU CB C 13 42.093 0.00 . 1 . . . . . 45 LEU CB . 53194 1 200 . 1 . 1 45 45 LEU N N 15 126.843 0.07 . 1 . . . . . 45 LEU N . 53194 1 201 . 1 . 1 46 46 LYS H H 1 8.348 0.01 . 1 . . . . . 46 LYS H . 53194 1 202 . 1 . 1 46 46 LYS C C 13 176.747 0.00 . 1 . . . . . 46 LYS C . 53194 1 203 . 1 . 1 46 46 LYS CA C 13 59.139 0.06 . 1 . . . . . 46 LYS CA . 53194 1 204 . 1 . 1 46 46 LYS CB C 13 31.480 0.07 . 1 . . . . . 46 LYS CB . 53194 1 205 . 1 . 1 46 46 LYS N N 15 121.028 0.06 . 1 . . . . . 46 LYS N . 53194 1 206 . 1 . 1 47 47 ASN H H 1 7.564 0.01 . 1 . . . . . 47 ASN H . 53194 1 207 . 1 . 1 47 47 ASN C C 13 176.703 0.00 . 1 . . . . . 47 ASN C . 53194 1 208 . 1 . 1 47 47 ASN CA C 13 52.215 0.07 . 1 . . . . . 47 ASN CA . 53194 1 209 . 1 . 1 47 47 ASN CB C 13 37.508 0.00 . 1 . . . . . 47 ASN CB . 53194 1 210 . 1 . 1 47 47 ASN N N 15 113.965 0.02 . 1 . . . . . 47 ASN N . 53194 1 211 . 1 . 1 48 48 GLY H H 1 8.559 0.00 . 1 . . . . . 48 GLY H . 53194 1 212 . 1 . 1 48 48 GLY C C 13 174.831 0.00 . 1 . . . . . 48 GLY C . 53194 1 213 . 1 . 1 48 48 GLY CA C 13 44.761 0.02 . 1 . . . . . 48 GLY CA . 53194 1 214 . 1 . 1 48 48 GLY N N 15 109.914 0.00 . 1 . . . . . 48 GLY N . 53194 1 215 . 1 . 1 49 49 ARG H H 1 7.620 0.01 . 1 . . . . . 49 ARG H . 53194 1 216 . 1 . 1 49 49 ARG C C 13 174.780 0.00 . 1 . . . . . 49 ARG C . 53194 1 217 . 1 . 1 49 49 ARG CA C 13 56.484 0.01 . 1 . . . . . 49 ARG CA . 53194 1 218 . 1 . 1 49 49 ARG CB C 13 30.366 0.00 . 1 . . . . . 49 ARG CB . 53194 1 219 . 1 . 1 49 49 ARG N N 15 122.285 0.05 . 1 . . . . . 49 ARG N . 53194 1 220 . 1 . 1 50 50 LYS H H 1 8.185 0.01 . 1 . . . . . 50 LYS H . 53194 1 221 . 1 . 1 50 50 LYS C C 13 176.025 0.00 . 1 . . . . . 50 LYS C . 53194 1 222 . 1 . 1 50 50 LYS CA C 13 54.723 0.04 . 1 . . . . . 50 LYS CA . 53194 1 223 . 1 . 1 50 50 LYS CB C 13 34.883 0.00 . 1 . . . . . 50 LYS CB . 53194 1 224 . 1 . 1 50 50 LYS N N 15 123.037 0.05 . 1 . . . . . 50 LYS N . 53194 1 225 . 1 . 1 51 51 ILE H H 1 8.893 0.00 . 1 . . . . . 51 ILE H . 53194 1 226 . 1 . 1 51 51 ILE C C 13 174.284 0.00 . 1 . . . . . 51 ILE C . 53194 1 227 . 1 . 1 51 51 ILE CA C 13 59.165 0.06 . 1 . . . . . 51 ILE CA . 53194 1 228 . 1 . 1 51 51 ILE CB C 13 44.624 0.00 . 1 . . . . . 51 ILE CB . 53194 1 229 . 1 . 1 51 51 ILE N N 15 116.035 0.04 . 1 . . . . . 51 ILE N . 53194 1 230 . 1 . 1 52 52 CYS H H 1 8.797 0.01 . 1 . . . . . 52 CYS H . 53194 1 231 . 1 . 1 52 52 CYS C C 13 176.506 0.00 . 1 . . . . . 52 CYS C . 53194 1 232 . 1 . 1 52 52 CYS CA C 13 56.340 0.00 . 1 . . . . . 52 CYS CA . 53194 1 233 . 1 . 1 52 52 CYS CB C 13 42.166 0.05 . 1 . . . . . 52 CYS CB . 53194 1 234 . 1 . 1 52 52 CYS N N 15 121.705 0.09 . 1 . . . . . 52 CYS N . 53194 1 235 . 1 . 1 53 53 LEU H H 1 8.369 0.01 . 1 . . . . . 53 LEU H . 53194 1 236 . 1 . 1 53 53 LEU C C 13 176.432 0.00 . 1 . . . . . 53 LEU C . 53194 1 237 . 1 . 1 53 53 LEU CA C 13 54.367 0.07 . 1 . . . . . 53 LEU CA . 53194 1 238 . 1 . 1 53 53 LEU CB C 13 41.516 0.06 . 1 . . . . . 53 LEU CB . 53194 1 239 . 1 . 1 53 53 LEU N N 15 121.754 0.05 . 1 . . . . . 53 LEU N . 53194 1 240 . 1 . 1 54 54 ASP H H 1 8.053 0.01 . 1 . . . . . 54 ASP H . 53194 1 241 . 1 . 1 54 54 ASP CA C 13 55.193 0.00 . 1 . . . . . 54 ASP CA . 53194 1 242 . 1 . 1 54 54 ASP N N 15 122.391 0.02 . 1 . . . . . 54 ASP N . 53194 1 243 . 1 . 1 55 55 LEU H H 1 8.348 0.00 . 1 . . . . . 55 LEU H . 53194 1 244 . 1 . 1 55 55 LEU N N 15 118.745 0.00 . 1 . . . . . 55 LEU N . 53194 1 245 . 1 . 1 56 56 GLN CA C 13 54.667 0.00 . 1 . . . . . 56 GLN CA . 53194 1 246 . 1 . 1 56 56 GLN CB C 13 29.480 0.00 . 1 . . . . . 56 GLN CB . 53194 1 247 . 1 . 1 57 57 ALA H H 1 8.525 0.01 . 1 . . . . . 57 ALA H . 53194 1 248 . 1 . 1 57 57 ALA CB C 13 19.009 0.00 . 1 . . . . . 57 ALA CB . 53194 1 249 . 1 . 1 57 57 ALA N N 15 121.242 0.08 . 1 . . . . . 57 ALA N . 53194 1 250 . 1 . 1 59 59 LEU H H 1 6.864 0.00 . 1 . . . . . 59 LEU H . 53194 1 251 . 1 . 1 59 59 LEU C C 13 181.049 0.00 . 1 . . . . . 59 LEU C . 53194 1 252 . 1 . 1 59 59 LEU N N 15 112.395 0.00 . 1 . . . . . 59 LEU N . 53194 1 253 . 1 . 1 60 60 TYR H H 1 7.536 0.01 . 1 . . . . . 60 TYR H . 53194 1 254 . 1 . 1 60 60 TYR C C 13 179.161 0.00 . 1 . . . . . 60 TYR C . 53194 1 255 . 1 . 1 60 60 TYR CA C 13 59.676 0.00 . 1 . . . . . 60 TYR CA . 53194 1 256 . 1 . 1 60 60 TYR N N 15 113.355 0.04 . 1 . . . . . 60 TYR N . 53194 1 257 . 1 . 1 61 61 LYS H H 1 7.620 0.01 . 1 . . . . . 61 LYS H . 53194 1 258 . 1 . 1 61 61 LYS C C 13 179.720 0.00 . 1 . . . . . 61 LYS C . 53194 1 259 . 1 . 1 61 61 LYS CA C 13 59.522 0.02 . 1 . . . . . 61 LYS CA . 53194 1 260 . 1 . 1 61 61 LYS N N 15 117.395 0.03 . 1 . . . . . 61 LYS N . 53194 1 261 . 1 . 1 62 62 LYS H H 1 7.281 0.01 . 1 . . . . . 62 LYS H . 53194 1 262 . 1 . 1 62 62 LYS C C 13 179.257 0.00 . 1 . . . . . 62 LYS C . 53194 1 263 . 1 . 1 62 62 LYS CA C 13 58.554 0.01 . 1 . . . . . 62 LYS CA . 53194 1 264 . 1 . 1 62 62 LYS CB C 13 32.264 0.02 . 1 . . . . . 62 LYS CB . 53194 1 265 . 1 . 1 62 62 LYS N N 15 119.494 0.09 . 1 . . . . . 62 LYS N . 53194 1 266 . 1 . 1 63 63 ILE H H 1 7.873 0.00 . 1 . . . . . 63 ILE H . 53194 1 267 . 1 . 1 63 63 ILE C C 13 179.257 0.00 . 1 . . . . . 63 ILE C . 53194 1 268 . 1 . 1 63 63 ILE CA C 13 64.777 0.00 . 1 . . . . . 63 ILE CA . 53194 1 269 . 1 . 1 63 63 ILE CB C 13 37.186 0.00 . 1 . . . . . 63 ILE CB . 53194 1 270 . 1 . 1 63 63 ILE N N 15 119.447 0.05 . 1 . . . . . 63 ILE N . 53194 1 271 . 1 . 1 64 64 ILE H H 1 7.873 0.01 . 1 . . . . . 64 ILE H . 53194 1 272 . 1 . 1 64 64 ILE C C 13 175.795 0.00 . 1 . . . . . 64 ILE C . 53194 1 273 . 1 . 1 64 64 ILE CA C 13 64.759 0.01 . 1 . . . . . 64 ILE CA . 53194 1 274 . 1 . 1 64 64 ILE CB C 13 33.917 0.00 . 1 . . . . . 64 ILE CB . 53194 1 275 . 1 . 1 64 64 ILE N N 15 119.273 0.00 . 1 . . . . . 64 ILE N . 53194 1 276 . 1 . 1 65 65 LYS H H 1 8.255 0.00 . 1 . . . . . 65 LYS H . 53194 1 277 . 1 . 1 65 65 LYS C C 13 179.161 0.00 . 1 . . . . . 65 LYS C . 53194 1 278 . 1 . 1 65 65 LYS CA C 13 59.698 0.02 . 1 . . . . . 65 LYS CA . 53194 1 279 . 1 . 1 65 65 LYS CB C 13 31.892 0.00 . 1 . . . . . 65 LYS CB . 53194 1 280 . 1 . 1 65 65 LYS N N 15 112.867 0.09 . 1 . . . . . 65 LYS N . 53194 1 281 . 1 . 1 66 66 LYS H H 1 7.613 0.01 . 1 . . . . . 66 LYS H . 53194 1 282 . 1 . 1 66 66 LYS C C 13 179.599 0.00 . 1 . . . . . 66 LYS C . 53194 1 283 . 1 . 1 66 66 LYS CA C 13 57.469 0.01 . 1 . . . . . 66 LYS CA . 53194 1 284 . 1 . 1 66 66 LYS CB C 13 31.045 0.00 . 1 . . . . . 66 LYS CB . 53194 1 285 . 1 . 1 66 66 LYS N N 15 117.417 0.07 . 1 . . . . . 66 LYS N . 53194 1 286 . 1 . 1 67 67 LEU H H 1 8.282 0.00 . 1 . . . . . 67 LEU H . 53194 1 287 . 1 . 1 67 67 LEU C C 13 178.337 0.00 . 1 . . . . . 67 LEU C . 53194 1 288 . 1 . 1 67 67 LEU CA C 13 57.442 0.00 . 1 . . . . . 67 LEU CA . 53194 1 289 . 1 . 1 67 67 LEU CB C 13 41.724 0.03 . 1 . . . . . 67 LEU CB . 53194 1 290 . 1 . 1 67 67 LEU N N 15 119.074 0.05 . 1 . . . . . 67 LEU N . 53194 1 291 . 1 . 1 68 68 LEU H H 1 7.662 0.01 . 1 . . . . . 68 LEU H . 53194 1 292 . 1 . 1 68 68 LEU C C 13 178.226 0.00 . 1 . . . . . 68 LEU C . 53194 1 293 . 1 . 1 68 68 LEU CA C 13 55.304 0.01 . 1 . . . . . 68 LEU CA . 53194 1 294 . 1 . 1 68 68 LEU CB C 13 41.655 0.00 . 1 . . . . . 68 LEU CB . 53194 1 295 . 1 . 1 68 68 LEU N N 15 116.254 0.07 . 1 . . . . . 68 LEU N . 53194 1 296 . 1 . 1 69 69 GLU H H 1 7.638 0.00 . 1 . . . . . 69 GLU H . 53194 1 297 . 1 . 1 69 69 GLU C C 13 176.307 0.00 . 1 . . . . . 69 GLU C . 53194 1 298 . 1 . 1 69 69 GLU CA C 13 56.633 0.00 . 1 . . . . . 69 GLU CA . 53194 1 299 . 1 . 1 69 69 GLU CB C 13 29.951 0.02 . 1 . . . . . 69 GLU CB . 53194 1 300 . 1 . 1 69 69 GLU N N 15 120.247 0.06 . 1 . . . . . 69 GLU N . 53194 1 301 . 1 . 1 70 70 SER H H 1 7.797 0.01 . 1 . . . . . 70 SER H . 53194 1 302 . 1 . 1 70 70 SER CA C 13 60.291 0.00 . 1 . . . . . 70 SER CA . 53194 1 303 . 1 . 1 70 70 SER CB C 13 64.824 0.00 . 1 . . . . . 70 SER CB . 53194 1 304 . 1 . 1 70 70 SER N N 15 122.433 0.06 . 1 . . . . . 70 SER N . 53194 1 stop_ save_