data_51324 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51324 _Entry.Title ; NMR Parameters of the Reduced, Unfolded Short Isoform of Hypogastrura harveyi "snow flea" Antifreeze Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-11 _Entry.Accession_date 2022-02-11 _Entry.Last_release_date 2022-02-11 _Entry.Original_release_date 2022-02-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Miguel Trevino . A. . 0000-0002-0738-5973 51324 2 David Pantoja-Uceda . . . 0000-0003-4390-6972 51324 3 Miguel Mompean . . . 0000-0002-5608-3648 51324 4 Douglas Laurents . V. . 0000-0002-4187-165X 51324 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Instituto de Quimica Fisica "Rocasolano", Consejo Superior de Investigaciones Cientificas (IQFR/CSIC)' . 51324 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 51324 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 51324 '15N chemical shifts' 222 51324 '1H chemical shifts' 210 51324 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 . . 2023-03-09 2022-02-11 update BMRB 'update entry citation' 51324 1 . . 2022-11-04 2022-02-11 original author 'original release' 51324 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27473 ; NMR Parameters for the Short Isoform of Hypogastrura harveyi "snow flea" Antifreeze Protein (These are the data for the folded protein; we are now depositing data for the unfolded form). ; 51324 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51324 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36815707 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Insight into polyproline II helical bundle stability in an antifreeze protein denatured state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 121 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 4560 _Citation.Page_last 4568 _Citation.Year 2022 _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 Miguel Trevino . A. . . 51324 1 2 Maria 'Redondo Moya' . . . . 51324 1 3 Ruben 'Lopez Sanchez' . . . . 51324 1 4 David Pantoja-Uceda . . . . 51324 1 5 Miguel Mompean . A. . . 51324 1 6 Douglas Laurents . V. . . 51324 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Unfolded State Ensemble, Polyproline II Helix, NMR spectroscopy, Protein Folding, Protein Conformational Stability' 51324 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51324 _Assembly.ID 1 _Assembly.Name 'Hypogastrura harveyi 6.5 kDa glycine-rich antifreeze protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Hypogastrura harveyi 6.5 kDa glycine-rich antifreeze protein' 1 $entity_1 . . yes native no no . . . 51324 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Antifreeze Protein' 51324 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51324 _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 ; CKGADGAHGVNGCPGTAGAA GSVGGPGCDGGHGGNGGNGN PGCAGGVGGAGGASGGTGVG GRGGKGGSGTPKGADGAPGA P ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes Uniprot 'Q38PT6 (Q38PT6_9HEXA)' . '6.5 kDa glycine-rich antifreeze protein: Organism Hypogastrura harveyi' . . . . . . . . . . . . . . 51324 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Antifreeze 51324 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 . CYS . 51324 1 2 . LYS . 51324 1 3 . GLY . 51324 1 4 . ALA . 51324 1 5 . ASP . 51324 1 6 . GLY . 51324 1 7 . ALA . 51324 1 8 . HIS . 51324 1 9 . GLY . 51324 1 10 . VAL . 51324 1 11 . ASN . 51324 1 12 . GLY . 51324 1 13 . CYS . 51324 1 14 . PRO . 51324 1 15 . GLY . 51324 1 16 . THR . 51324 1 17 . ALA . 51324 1 18 . GLY . 51324 1 19 . ALA . 51324 1 20 . ALA . 51324 1 21 . GLY . 51324 1 22 . SER . 51324 1 23 . VAL . 51324 1 24 . GLY . 51324 1 25 . GLY . 51324 1 26 . PRO . 51324 1 27 . GLY . 51324 1 28 . CYS . 51324 1 29 . ASP . 51324 1 30 . GLY . 51324 1 31 . GLY . 51324 1 32 . HIS . 51324 1 33 . GLY . 51324 1 34 . GLY . 51324 1 35 . ASN . 51324 1 36 . GLY . 51324 1 37 . GLY . 51324 1 38 . ASN . 51324 1 39 . GLY . 51324 1 40 . ASN . 51324 1 41 . PRO . 51324 1 42 . GLY . 51324 1 43 . CYS . 51324 1 44 . ALA . 51324 1 45 . GLY . 51324 1 46 . GLY . 51324 1 47 . VAL . 51324 1 48 . GLY . 51324 1 49 . GLY . 51324 1 50 . ALA . 51324 1 51 . GLY . 51324 1 52 . GLY . 51324 1 53 . ALA . 51324 1 54 . SER . 51324 1 55 . GLY . 51324 1 56 . GLY . 51324 1 57 . THR . 51324 1 58 . GLY . 51324 1 59 . VAL . 51324 1 60 . GLY . 51324 1 61 . GLY . 51324 1 62 . ARG . 51324 1 63 . GLY . 51324 1 64 . GLY . 51324 1 65 . LYS . 51324 1 66 . GLY . 51324 1 67 . GLY . 51324 1 68 . SER . 51324 1 69 . GLY . 51324 1 70 . THR . 51324 1 71 . PRO . 51324 1 72 . LYS . 51324 1 73 . GLY . 51324 1 74 . ALA . 51324 1 75 . ASP . 51324 1 76 . GLY . 51324 1 77 . ALA . 51324 1 78 . PRO . 51324 1 79 . GLY . 51324 1 80 . ALA . 51324 1 81 . PRO . 51324 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 . CYS 1 1 51324 1 . LYS 2 2 51324 1 . GLY 3 3 51324 1 . ALA 4 4 51324 1 . ASP 5 5 51324 1 . GLY 6 6 51324 1 . ALA 7 7 51324 1 . HIS 8 8 51324 1 . GLY 9 9 51324 1 . VAL 10 10 51324 1 . ASN 11 11 51324 1 . GLY 12 12 51324 1 . CYS 13 13 51324 1 . PRO 14 14 51324 1 . GLY 15 15 51324 1 . THR 16 16 51324 1 . ALA 17 17 51324 1 . GLY 18 18 51324 1 . ALA 19 19 51324 1 . ALA 20 20 51324 1 . GLY 21 21 51324 1 . SER 22 22 51324 1 . VAL 23 23 51324 1 . GLY 24 24 51324 1 . GLY 25 25 51324 1 . PRO 26 26 51324 1 . GLY 27 27 51324 1 . CYS 28 28 51324 1 . ASP 29 29 51324 1 . GLY 30 30 51324 1 . GLY 31 31 51324 1 . HIS 32 32 51324 1 . GLY 33 33 51324 1 . GLY 34 34 51324 1 . ASN 35 35 51324 1 . GLY 36 36 51324 1 . GLY 37 37 51324 1 . ASN 38 38 51324 1 . GLY 39 39 51324 1 . ASN 40 40 51324 1 . PRO 41 41 51324 1 . GLY 42 42 51324 1 . CYS 43 43 51324 1 . ALA 44 44 51324 1 . GLY 45 45 51324 1 . GLY 46 46 51324 1 . VAL 47 47 51324 1 . GLY 48 48 51324 1 . GLY 49 49 51324 1 . ALA 50 50 51324 1 . GLY 51 51 51324 1 . GLY 52 52 51324 1 . ALA 53 53 51324 1 . SER 54 54 51324 1 . GLY 55 55 51324 1 . GLY 56 56 51324 1 . THR 57 57 51324 1 . GLY 58 58 51324 1 . VAL 59 59 51324 1 . GLY 60 60 51324 1 . GLY 61 61 51324 1 . ARG 62 62 51324 1 . GLY 63 63 51324 1 . GLY 64 64 51324 1 . LYS 65 65 51324 1 . GLY 66 66 51324 1 . GLY 67 67 51324 1 . SER 68 68 51324 1 . GLY 69 69 51324 1 . THR 70 70 51324 1 . PRO 71 71 51324 1 . LYS 72 72 51324 1 . GLY 73 73 51324 1 . ALA 74 74 51324 1 . ASP 75 75 51324 1 . GLY 76 76 51324 1 . ALA 77 77 51324 1 . PRO 78 78 51324 1 . GLY 79 79 51324 1 . ALA 80 80 51324 1 . PRO 81 81 51324 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 51324 _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 . 351090 organism . 'Hypogastrura harveyi' 'Hypogastrura harveyi' . . Eukaryota Metazoa Hypogastrura harveyi . . . . . . . . . . . . . 51324 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 51324 _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 . . pET45b+ . . . 51324 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51324 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'sfAFP at 1.2 mM in 5 mM sodium hydrogen phosphate buffer with 3.0 TCEP and 0.2 mM sodium azide' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O 'natural abundance' . . . . . . 10 . . % 0.5 . . . 51324 1 2 'sodium azide' 'natural abundance' . . . . . . 0.2 . . mM 0.01 . . . 51324 1 3 'sodium hydrogen phosphate' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 51324 1 4 TCEP 'natural abundance' . . . . . . 3 . . mM 0.15 . . . 51324 1 5 'Hypogastrura harveyi 6.5 kDa glycine-rich antifreeze protein' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 1.2 . . mM 0.05 . . . 51324 1 6 H2O 'natural abundance' . . . . . . 90 . . % 0.5 . . . 51324 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 51324 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 0.001 M 51324 1 pH 2.5 0.1 pH 51324 1 pressure 0.92 0.02 atm 51324 1 temperature 298.2 0.1 K 51324 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51324 _Sample_condition_list.ID 2 _Sample_condition_list.Name 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 0.001 M 51324 2 pH 6.1 0.1 pH 51324 2 pressure 0.92 0.02 atm 51324 2 temperature 278.2 0.1 K 51324 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 51324 _Sample_condition_list.ID 3 _Sample_condition_list.Name 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 0.001 M 51324 3 pH 2.5 0.1 pH 51324 3 pressure 0.92 0.02 atm 51324 3 temperature 278.2 0.1 K 51324 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51324 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.8 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51324 1 processing . 51324 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51324 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 3.13 _Software.DOI . _Software.Details 'NMRFAM-SPARKY 1.4 powered by Sparky 3.13' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51324 2 'peak picking' . 51324 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51324 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51324 _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' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51324 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '35% NUS' 51324 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '35% NUS' 51324 1 4 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '25% NUS' 51324 1 5 'T1/R1 relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'delays used: 20, 60, 240, 100, 860, 460, 1260, 1800, 150 and 2500 ms' 51324 1 6 'T1rho/R1rho relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'delays used: 8, 300, 36, 76, 1500, 150, 500, 16 and 600 ms' 51324 1 7 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51324 1 8 '2D 1H-15N HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51324 1 9 'T1/R1 relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'elays used: 20, 60, 240, 100, 860, 460, 1260, 1800, 150 and 2500 ms' 51324 1 10 'T1rho/R1rho relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'delays used: 8, 300, 36, 76, 1500, 150, 500, 16 and 600 ms' 51324 1 11 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51324 1 12 '2D 1H-15N HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51324 1 13 '3D HNCA' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51324 1 14 '3D HNCO' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51324 1 15 '3D CBCA(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51324 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 12 '2D 1H-15N HSQC' ser . 'Time-domain (raw spectral data)' . 'Bruker "ser" file of 1H-15N HSQC spectrum of sfAFP under conditions "1"' 51324 1 12 '2D 1H-15N HSQC' ser_15N_HSQC_cond2 . 'Time-domain (raw spectral data)' . 'Bruker "ser" file of 1H-15N HSQC spectrum of sfAFP under conditions "2"' 51324 1 12 '2D 1H-15N HSQC' ser_15N_HSQC_cond3 . 'Time-domain (raw spectral data)' . 'Bruker "ser" file of 1H-15N HSQC spectrum of sfAFP under conditions "3"' 51324 1 13 '3D HNCA' ser_HNCA . 'Time-domain (raw spectral data)' . 'Bruker "ser" file of 3D HNCA spectrum of sfAFP under conditions "1"' 51324 1 14 '3D HNCO' ser_HNCO . 'Time-domain (raw spectral data)' . 'Bruker "ser" file of 3D HNCO spectrum of sfAFP under conditions "1"' 51324 1 15 '3D CBCA(CO)NH' ser_CBCAcoNH . 'Time-domain (raw spectral data)' . 'Bruker "ser" file of 3D CBCAcoNH spectrum of sfAFP under conditions "1"' 51324 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51324 _Computing_platform.ID 1 _Computing_platform.Name 'in house linux computers' _Computing_platform.Reference_ID . _Computing_platform.Site '"Manuel Rico" NMR lab, IQFR/CSIC Spain' _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 51324 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical Shift Reference Set 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51324 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51324 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51324 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 51324 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'sfAFP reduced unfolded pH 3, 25oC' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '0.1 for 13CA and 13CB, 0.01 ppm for 13CO' _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' . . . 51324 1 2 '3D HNCA' . . . 51324 1 3 '3D HNCO' . . . 51324 1 4 '3D CBCA(CO)NH' . . . 51324 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 2 $software_2 . . 51324 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 CYS C C 13 174.867 0.01 . 1 . . . . . 1 CYS CO . 51324 1 2 . 1 . 1 2 2 LYS H H 1 8.304 0.01 . 1 . . . . . 2 LYS HN . 51324 1 3 . 1 . 1 2 2 LYS C C 13 177.123 0.01 . 1 . . . . . 2 LYS CO . 51324 1 4 . 1 . 1 2 2 LYS CA C 13 56.668 0.10 . 1 . . . . . 2 LYS CA . 51324 1 5 . 1 . 1 2 2 LYS CB C 13 32.907 0.10 . 1 . . . . . 2 LYS CB . 51324 1 6 . 1 . 1 2 2 LYS N N 15 123.300 0.10 . 1 . . . . . 2 LYS N . 51324 1 7 . 1 . 1 3 3 GLY H H 1 8.394 0.01 . 1 . . . . . 3 GLY HN . 51324 1 8 . 1 . 1 3 3 GLY C C 13 174.089 0.01 . 1 . . . . . 3 GLY CO . 51324 1 9 . 1 . 1 3 3 GLY CA C 13 44.941 0.10 . 1 . . . . . 3 GLY CA . 51324 1 10 . 1 . 1 3 3 GLY N N 15 109.920 0.10 . 1 . . . . . 3 GLY N . 51324 1 11 . 1 . 1 4 4 ALA H H 1 8.229 0.01 . 1 . . . . . 4 ALA HN . 51324 1 12 . 1 . 1 4 4 ALA C C 13 177.740 0.01 . 1 . . . . . 4 ALA CO . 51324 1 13 . 1 . 1 4 4 ALA CA C 13 52.303 0.10 . 1 . . . . . 4 ALA CA . 51324 1 14 . 1 . 1 4 4 ALA CB C 13 18.869 0.10 . 1 . . . . . 4 ALA CB . 51324 1 15 . 1 . 1 4 4 ALA N N 15 123.998 0.10 . 1 . . . . . 4 ALA N . 51324 1 16 . 1 . 1 5 5 ASP H H 1 8.384 0.01 . 1 . . . . . 5 ASP HN . 51324 1 17 . 1 . 1 5 5 ASP C C 13 176.859 0.01 . 1 . . . . . 5 ASP CO . 51324 1 18 . 1 . 1 5 5 ASP CA C 13 53.961 0.10 . 1 . . . . . 5 ASP CA . 51324 1 19 . 1 . 1 5 5 ASP CB C 13 40.498 0.10 . 1 . . . . . 5 ASP CB . 51324 1 20 . 1 . 1 5 5 ASP N N 15 119.227 0.10 . 1 . . . . . 5 ASP N . 51324 1 21 . 1 . 1 6 6 GLY H H 1 8.275 0.01 . 1 . . . . . 6 GLY HN . 51324 1 22 . 1 . 1 6 6 GLY C C 13 174.134 0.01 . 1 . . . . . 6 GLY CO . 51324 1 23 . 1 . 1 6 6 GLY CA C 13 45.156 0.10 . 1 . . . . . 6 GLY CA . 51324 1 24 . 1 . 1 6 6 GLY N N 15 109.200 0.10 . 1 . . . . . 6 GLY N . 51324 1 25 . 1 . 1 7 7 ALA H H 1 8.450 0.01 . 1 . . . . . 7 ALA HN . 51324 1 26 . 1 . 1 7 7 ALA C C 13 177.750 0.01 . 1 . . . . . 7 ALA CO . 51324 1 27 . 1 . 1 7 7 ALA CA C 13 52.580 0.10 . 1 . . . . . 7 ALA CA . 51324 1 28 . 1 . 1 7 7 ALA CB C 13 19.160 0.10 . 1 . . . . . 7 ALA CB . 51324 1 29 . 1 . 1 7 7 ALA N N 15 123.240 0.10 . 1 . . . . . 7 ALA N . 51324 1 30 . 1 . 1 8 8 HIS H H 1 8.445 0.01 . 1 . . . . . 8 HIS HN . 51324 1 31 . 1 . 1 8 8 HIS C C 13 174.909 0.01 . 1 . . . . . 8 HIS CO . 51324 1 32 . 1 . 1 8 8 HIS CA C 13 55.210 0.10 . 1 . . . . . 8 HIS CA . 51324 1 33 . 1 . 1 8 8 HIS CB C 13 29.100 0.10 . 1 . . . . . 8 HIS CB . 51324 1 34 . 1 . 1 8 8 HIS N N 15 117.049 0.10 . 1 . . . . . 8 HIS N . 51324 1 35 . 1 . 1 9 9 GLY H H 1 8.368 0.01 . 1 . . . . . 9 GLY HN . 51324 1 36 . 1 . 1 9 9 GLY C C 13 174.210 0.01 . 1 . . . . . 9 GLY CO . 51324 1 37 . 1 . 1 9 9 GLY CA C 13 45.270 0.10 . 1 . . . . . 9 GLY CA . 51324 1 38 . 1 . 1 9 9 GLY N N 15 109.722 0.10 . 1 . . . . . 9 GLY N . 51324 1 39 . 1 . 1 10 10 VAL H H 1 8.132 0.01 . 1 . . . . . 10 VAL HN . 51324 1 40 . 1 . 1 10 10 VAL C C 13 176.230 0.10 . 1 . . . . . 10 VAL CO . 51324 1 41 . 1 . 1 10 10 VAL CA C 13 62.390 0.10 . 1 . . . . . 10 VAL CA . 51324 1 42 . 1 . 1 10 10 VAL CB C 13 32.716 0.10 . 1 . . . . . 10 VAL CB . 51324 1 43 . 1 . 1 10 10 VAL N N 15 119.173 0.10 . 1 . . . . . 10 VAL N . 51324 1 44 . 1 . 1 11 11 ASN H H 1 8.592 0.01 . 1 . . . . . 11 ASN HN . 51324 1 45 . 1 . 1 11 11 ASN C C 13 175.589 0.10 . 1 . . . . . 11 ASN CO . 51324 1 46 . 1 . 1 11 11 ASN CA C 13 53.340 0.10 . 1 . . . . . 11 ASN CA . 51324 1 47 . 1 . 1 11 11 ASN CB C 13 38.970 0.01 . 1 . . . . . 11 ASN CB . 51324 1 48 . 1 . 1 11 11 ASN N N 15 122.115 0.10 . 1 . . . . . 11 ASN N . 51324 1 49 . 1 . 1 12 12 GLY H H 1 8.341 0.01 . 1 . . . . . 12 GLY HN . 51324 1 50 . 1 . 1 12 12 GLY C C 13 173.676 0.01 . 1 . . . . . 12 GLY CO . 51324 1 51 . 1 . 1 12 12 GLY CA C 13 44.600 0.10 . 1 . . . . . 12 GLY CA . 51324 1 52 . 1 . 1 12 12 GLY N N 15 109.207 0.10 . 1 . . . . . 12 GLY N . 51324 1 53 . 1 . 1 13 13 CYS H H 1 8.219 0.01 . 1 . . . . . 13 CYS HN . 51324 1 54 . 1 . 1 13 13 CYS C C 13 172.882 0.01 . 1 . . . . . 13 CYS CO . 51324 1 55 . 1 . 1 13 13 CYS N N 15 120.200 0.10 . 1 . . . . . 13 CYS N . 51324 1 56 . 1 . 1 14 14 PRO C C 13 177.502 0.01 . 1 . . . . . 14 PRO CO . 51324 1 57 . 1 . 1 14 14 PRO CA C 13 63.724 0.10 . 1 . . . . . 14 PRO CA . 51324 1 58 . 1 . 1 14 14 PRO CB C 13 32.140 0.10 . 1 . . . . . 14 PRO CB . 51324 1 59 . 1 . 1 14 14 PRO N N 15 138.602 0.10 . 1 . . . . . 14 PRO N . 51324 1 60 . 1 . 1 15 15 GLY H H 1 8.475 0.01 . 1 . . . . . 15 GLY HN . 51324 1 61 . 1 . 1 15 15 GLY C C 13 174.460 0.01 . 1 . . . . . 15 GLY CO . 51324 1 62 . 1 . 1 15 15 GLY CA C 13 45.270 0.10 . 1 . . . . . 15 GLY CA . 51324 1 63 . 1 . 1 15 15 GLY N N 15 109.110 0.10 . 1 . . . . . 15 GLY N . 51324 1 64 . 1 . 1 16 16 THR H H 1 8.020 0.01 . 1 . . . . . 16 THR HN . 51324 1 65 . 1 . 1 16 16 THR C C 13 174.633 0.01 . 1 . . . . . 16 THR CO . 51324 1 66 . 1 . 1 16 16 THR CA C 13 61.730 0.10 . 1 . . . . . 16 THR CA . 51324 1 67 . 1 . 1 16 16 THR CB C 13 70.030 0.10 . 1 . . . . . 16 THR CB . 51324 1 68 . 1 . 1 16 16 THR N N 15 113.330 0.10 . 1 . . . . . 16 THR N . 51324 1 69 . 1 . 1 17 17 ALA H H 1 8.415 0.01 . 1 . . . . . 17 ALA HN . 51324 1 70 . 1 . 1 17 17 ALA C C 13 178.270 0.01 . 1 . . . . . 17 ALA CO . 51324 1 71 . 1 . 1 17 17 ALA CA C 13 52.844 0.10 . 1 . . . . . 17 ALA CA . 51324 1 72 . 1 . 1 17 17 ALA CB C 13 19.106 0.10 . 1 . . . . . 17 ALA CB . 51324 1 73 . 1 . 1 17 17 ALA N N 15 126.599 0.10 . 1 . . . . . 17 ALA N . 51324 1 74 . 1 . 1 18 18 GLY H H 1 8.344 0.01 . 1 . . . . . 18 GLY HN . 51324 1 75 . 1 . 1 18 18 GLY C C 13 174.029 0.01 . 1 . . . . . 18 GLY CO . 51324 1 76 . 1 . 1 18 18 GLY CA C 13 45.228 0.10 . 1 . . . . . 18 GLY CA . 51324 1 77 . 1 . 1 18 18 GLY N N 15 108.304 0.10 . 1 . . . . . 18 GLY N . 51324 1 78 . 1 . 1 19 19 ALA H H 1 8.130 0.01 . 1 . . . . . 19 ALA HN . 51324 1 79 . 1 . 1 19 19 ALA C C 13 177.803 0.01 . 1 . . . . . 19 ALA CO . 51324 1 80 . 1 . 1 19 19 ALA CA C 13 52.440 0.10 . 1 . . . . . 19 ALA CA . 51324 1 81 . 1 . 1 19 19 ALA CB C 13 19.300 0.10 . 1 . . . . . 19 ALA CB . 51324 1 82 . 1 . 1 19 19 ALA N N 15 123.470 0.10 . 1 . . . . . 19 ALA N . 51324 1 83 . 1 . 1 20 20 ALA H H 1 8.365 0.01 . 1 . . . . . 20 ALA HN . 51324 1 84 . 1 . 1 20 20 ALA C C 13 178.380 0.01 . 1 . . . . . 20 ALA CO . 51324 1 85 . 1 . 1 20 20 ALA CA C 13 52.820 0.10 . 1 . . . . . 20 ALA CA . 51324 1 86 . 1 . 1 20 20 ALA CB C 13 19.090 0.10 . 1 . . . . . 20 ALA CB . 51324 1 87 . 1 . 1 20 20 ALA N N 15 123.468 0.10 . 1 . . . . . 20 ALA N . 51324 1 88 . 1 . 1 21 21 GLY H H 1 8.341 0.01 . 1 . . . . . 21 GLY HN . 51324 1 89 . 1 . 1 21 21 GLY C C 13 174.224 0.01 . 1 . . . . . 21 GLY CO . 51324 1 90 . 1 . 1 21 21 GLY CA C 13 45.290 0.10 . 1 . . . . . 21 GLY CA . 51324 1 91 . 1 . 1 21 21 GLY N N 15 108.061 0.10 . 1 . . . . . 21 GLY N . 51324 1 92 . 1 . 1 22 22 SER H H 1 8.159 0.01 . 1 . . . . . 22 SER HN . 51324 1 93 . 1 . 1 22 22 SER C C 13 174.740 0.01 . 1 . . . . . 22 SER CO . 51324 1 94 . 1 . 1 22 22 SER CA C 13 58.220 0.10 . 1 . . . . . 22 SER CA . 51324 1 95 . 1 . 1 22 22 SER CB C 13 64.040 0.10 . 1 . . . . . 22 SER CB . 51324 1 96 . 1 . 1 22 22 SER N N 15 115.596 0.10 . 1 . . . . . 22 SER N . 51324 1 97 . 1 . 1 23 23 VAL H H 1 8.225 0.01 . 1 . . . . . 23 VAL HN . 51324 1 98 . 1 . 1 23 23 VAL C C 13 176.67 0.01 . 1 . . . . . 23 VAL CO . 51324 1 99 . 1 . 1 23 23 VAL CA C 13 62.520 0.10 . 1 . . . . . 23 VAL CA . 51324 1 100 . 1 . 1 23 23 VAL CB C 13 32.722 0.10 . 1 . . . . . 23 VAL CB . 51324 1 101 . 1 . 1 23 23 VAL N N 15 121.491 0.10 . 1 . . . . . 23 VAL N . 51324 1 102 . 1 . 1 24 24 GLY H H 1 8.448 0.01 . 1 . . . . . 24 GLY HN . 51324 1 103 . 1 . 1 24 24 GLY C C 13 174.214 0.01 . 1 . . . . . 24 GLY CO . 51324 1 104 . 1 . 1 24 24 GLY CA C 13 45.162 0.10 . 1 . . . . . 24 GLY CA . 51324 1 105 . 1 . 1 24 24 GLY N N 15 112.317 0.10 . 1 . . . . . 24 GLY N . 51324 1 106 . 1 . 1 25 25 GLY H H 1 8.120 0.00 . 1 . . . . . 25 GLY HN . 51324 1 107 . 1 . 1 25 25 GLY C C 13 172.014 0.01 . 1 . . . . . 25 GLY CO . 51324 1 108 . 1 . 1 25 25 GLY N N 15 108.883 0.01 . 1 . . . . . 25 GLY N . 51324 1 109 . 1 . 1 26 26 PRO C C 13 177.925 0.01 . 1 . . . . . 26 PRO CO . 51324 1 110 . 1 . 1 26 26 PRO CA C 13 63.600 0.10 . 1 . . . . . 26 PRO CA . 51324 1 111 . 1 . 1 26 26 PRO CB C 13 32.081 0.10 . 1 . . . . . 26 PRO CB . 51324 1 112 . 1 . 1 26 26 PRO N N 15 134.160 0.10 . 1 . . . . . 26 PRO N . 51324 1 113 . 1 . 1 27 27 GLY H H 1 8.612 0.01 . 1 . . . . . 27 GLY HN . 51324 1 114 . 1 . 1 27 27 GLY C C 13 174.537 0.01 . 1 . . . . . 27 GLY CO . 51324 1 115 . 1 . 1 27 27 GLY CA C 13 45.382 0.10 . 1 . . . . . 27 GLY CA . 51324 1 116 . 1 . 1 27 27 GLY N N 15 109.649 0.10 . 1 . . . . . 27 GLY N . 51324 1 117 . 1 . 1 28 28 CYS H H 1 8.182 0.01 . 1 . . . . . 28 CYS HN . 51324 1 118 . 1 . 1 28 28 CYS C C 13 174.556 0.01 . 1 . . . . . 28 CYS CO . 51324 1 119 . 1 . 1 28 28 CYS CA C 13 58.510 0.10 . 1 . . . . . 28 CYS CA . 51324 1 120 . 1 . 1 28 28 CYS CB C 13 28.140 0.10 . 1 . . . . . 28 CYS CB . 51324 1 121 . 1 . 1 28 28 CYS N N 15 118.529 0.10 . 1 . . . . . 28 CYS N . 51324 1 122 . 1 . 1 29 29 ASP H H 1 8.499 0.01 . 1 . . . . . 29 ASP HN . 51324 1 123 . 1 . 1 29 29 ASP C C 13 176.796 0.01 . 1 . . . . . 29 ASP CO . 51324 1 124 . 1 . 1 29 29 ASP CA C 13 56.680 0.10 . 1 . . . . . 29 ASP CA . 51324 1 125 . 1 . 1 29 29 ASP CB C 13 41.060 0.10 . 1 . . . . . 29 ASP CB . 51324 1 126 . 1 . 1 29 29 ASP N N 15 122.420 0.10 . 1 . . . . . 29 ASP N . 51324 1 127 . 1 . 1 30 30 GLY H H 1 8.411 0.01 . 1 . . . . . 30 GLY HN . 51324 1 128 . 1 . 1 30 30 GLY C C 13 174.961 0.01 . 1 . . . . . 30 GLY CO . 51324 1 129 . 1 . 1 30 30 GLY CA C 13 45.650 0.10 . 1 . . . . . 30 GLY CA . 51324 1 130 . 1 . 1 30 30 GLY N N 15 109.659 0.10 . 1 . . . . . 30 GLY N . 51324 1 131 . 1 . 1 31 31 GLY H H 1 8.317 0.01 . 1 . . . . . 31 GLY HN . 51324 1 132 . 1 . 1 31 31 GLY C C 13 174.405 0.01 . 1 . . . . . 31 GLY CO . 51324 1 133 . 1 . 1 31 31 GLY CA C 13 45.360 0.10 . 1 . . . . . 31 GLY CA . 51324 1 134 . 1 . 1 31 31 GLY N N 15 108.240 0.10 . 1 . . . . . 31 GLY N . 51324 1 135 . 1 . 1 32 32 HIS H H 1 8.400 0.01 . 1 . . . . . 32 HIS HN . 51324 1 136 . 1 . 1 32 32 HIS C C 13 175.071 0.01 . 1 . . . . . 32 HIS CO . 51324 1 137 . 1 . 1 32 32 HIS CA C 13 55.290 0.10 . 1 . . . . . 32 HIS CA . 51324 1 138 . 1 . 1 32 32 HIS CB C 13 29.000 0.10 . 1 . . . . . 32 HIS CB . 51324 1 139 . 1 . 1 32 32 HIS N N 15 117.780 0.10 . 1 . . . . . 32 HIS N . 51324 1 140 . 1 . 1 33 33 GLY H H 1 8.550 0.01 . 1 . . . . . 33 GLY HN . 51324 1 141 . 1 . 1 33 33 GLY C C 13 174.734 0.01 . 1 . . . . . 33 GLY CO . 51324 1 142 . 1 . 1 33 33 GLY CA C 13 45.441 0.10 . 1 . . . . . 33 GLY CA . 51324 1 143 . 1 . 1 33 33 GLY N N 15 109.800 0.10 . 1 . . . . . 33 GLY N . 51324 1 144 . 1 . 1 34 34 GLY H H 1 8.336 0.01 . 1 . . . . . 34 GLY HN . 51324 1 145 . 1 . 1 34 34 GLY C C 13 174.252 0.01 . 1 . . . . . 34 GLY CO . 51324 1 146 . 1 . 1 34 34 GLY CA C 13 45.333 0.10 . 1 . . . . . 34 GLY CA . 51324 1 147 . 1 . 1 34 34 GLY N N 15 108.692 0.10 . 1 . . . . . 34 GLY N . 51324 1 148 . 1 . 1 35 35 ASN H H 1 8.460 0.01 . 1 . . . . . 35 ASN HN . 51324 1 149 . 1 . 1 35 35 ASN C C 13 176.030 0.01 . 1 . . . . . 35 ASN CO . 51324 1 150 . 1 . 1 35 35 ASN CA C 13 53.210 0.10 . 1 . . . . . 35 ASN CA . 51324 1 151 . 1 . 1 35 35 ASN CB C 13 39.030 0.10 . 1 . . . . . 35 ASN CB . 51324 1 152 . 1 . 1 35 35 ASN N N 15 118.630 0.10 . 1 . . . . . 35 ASN N . 51324 1 153 . 1 . 1 36 36 GLY H H 1 8.533 0.01 . 1 . . . . . 36 GLY HN . 51324 1 154 . 1 . 1 36 36 GLY C C 13 174.840 0.01 . 1 . . . . . 36 GLY CO . 51324 1 155 . 1 . 1 36 36 GLY CA C 13 45.382 0.10 . 1 . . . . . 36 GLY CA . 51324 1 156 . 1 . 1 36 36 GLY N N 15 109.496 0.10 . 1 . . . . . 36 GLY N . 51324 1 157 . 1 . 1 37 37 GLY H H 1 8.280 0.01 . 1 . . . . . 37 GLY HN . 51324 1 158 . 1 . 1 37 37 GLY C C 13 174.170 0.01 . 1 . . . . . 37 GLY CO . 51324 1 159 . 1 . 1 37 37 GLY N N 15 108.578 0.10 . 1 . . . . . 37 GLY N . 51324 1 160 . 1 . 1 38 38 ASN H H 1 8.311 0.01 . 1 . . . . . 38 ASN HN . 51324 1 161 . 1 . 1 38 38 ASN C C 13 175.772 0.01 . 1 . . . . . 38 ASN CO . 51324 1 162 . 1 . 1 38 38 ASN CA C 13 53.210 0.10 . 1 . . . . . 38 ASN CA . 51324 1 163 . 1 . 1 38 38 ASN CB C 13 39.010 0.10 . 1 . . . . . 38 ASN CB . 51324 1 164 . 1 . 1 38 38 ASN N N 15 118.550 0.10 . 1 . . . . . 38 ASN N . 51324 1 165 . 1 . 1 39 39 GLY H H 1 8.429 0.01 . 1 . . . . . 39 GLY HN . 51324 1 166 . 1 . 1 39 39 GLY C C 13 173.576 0.01 . 1 . . . . . 39 GLY CO . 51324 1 167 . 1 . 1 39 39 GLY CA C 13 45.240 0.10 . 1 . . . . . 39 GLY CA . 51324 1 168 . 1 . 1 39 39 GLY N N 15 109.000 0.10 . 1 . . . . . 39 GLY N . 51324 1 169 . 1 . 1 40 40 ASN H H 1 8.281 0.01 . 1 . . . . . 40 ASN HN . 51324 1 170 . 1 . 1 40 40 ASN C C 13 173.482 0.01 . 1 . . . . . 40 ASN CO . 51324 1 171 . 1 . 1 40 40 ASN N N 15 119.350 0.10 . 1 . . . . . 40 ASN N . 51324 1 172 . 1 . 1 41 41 PRO C C 13 177.630 0.01 . 1 . . . . . 41 PRO CO . 51324 1 173 . 1 . 1 41 41 PRO CA C 13 63.770 0.10 . 1 . . . . . 41 PRO CA . 51324 1 174 . 1 . 1 41 41 PRO CB C 13 32.090 0.10 . 1 . . . . . 41 PRO CB . 51324 1 175 . 1 . 1 41 41 PRO N N 15 137.060 0.10 . 1 . . . . . 41 PRO N . 51324 1 176 . 1 . 1 42 42 GLY H H 1 8.473 0.01 . 1 . . . . . 42 GLY HN . 51324 1 177 . 1 . 1 42 42 GLY C C 13 174.242 0.01 . 1 . . . . . 42 GLY CO . 51324 1 178 . 1 . 1 42 42 GLY CA C 13 45.290 0.10 . 1 . . . . . 42 GLY CA . 51324 1 179 . 1 . 1 42 42 GLY N N 15 108.700 0.10 . 1 . . . . . 42 GLY N . 51324 1 180 . 1 . 1 43 43 CYS H H 1 8.110 0.01 . 1 . . . . . 43 CYS HN . 51324 1 181 . 1 . 1 43 43 CYS C C 13 174.517 0.01 . 1 . . . . . 43 CYS CO . 51324 1 182 . 1 . 1 43 43 CYS CA C 13 58.210 0.10 . 1 . . . . . 43 CYS CA . 51324 1 183 . 1 . 1 43 43 CYS CB C 13 28.280 0.10 . 1 . . . . . 43 CYS CB . 51324 1 184 . 1 . 1 43 43 CYS N N 15 118.620 0.10 . 1 . . . . . 43 CYS N . 51324 1 185 . 1 . 1 44 44 ALA H H 1 8.481 0.01 . 1 . . . . . 44 ALA HN . 51324 1 186 . 1 . 1 44 44 ALA C C 13 178.197 0.01 . 1 . . . . . 44 ALA CO . 51324 1 187 . 1 . 1 44 44 ALA CA C 13 52.854 0.10 . 1 . . . . . 44 ALA CA . 51324 1 188 . 1 . 1 44 44 ALA CB C 13 19.310 0.10 . 1 . . . . . 44 ALA CB . 51324 1 189 . 1 . 1 44 44 ALA N N 15 126.727 0.10 . 1 . . . . . 44 ALA N . 51324 1 190 . 1 . 1 45 45 GLY H H 1 8.398 0.01 . 1 . . . . . 45 GLY HN . 51324 1 191 . 1 . 1 45 45 GLY C C 13 174.689 0.01 . 1 . . . . . 45 GLY CO . 51324 1 192 . 1 . 1 45 45 GLY CA C 13 45.392 0.10 . 1 . . . . . 45 GLY CA . 51324 1 193 . 1 . 1 45 45 GLY N N 15 108.287 0.10 . 1 . . . . . 45 GLY N . 51324 1 194 . 1 . 1 46 46 GLY H H 1 8.212 0.01 . 1 . . . . . 46 GLY HN . 51324 1 195 . 1 . 1 46 46 GLY C C 13 174.405 0.01 . 1 . . . . . 46 GLY CO . 51324 1 196 . 1 . 1 46 46 GLY CA C 13 45.211 0.10 . 1 . . . . . 46 GLY CA . 51324 1 197 . 1 . 1 46 46 GLY N N 15 108.630 0.10 . 1 . . . . . 46 GLY N . 51324 1 198 . 1 . 1 47 47 VAL H H 1 8.113 0.01 . 1 . . . . . 47 VAL HN . 51324 1 199 . 1 . 1 47 47 VAL C C 13 177.070 0.01 . 1 . . . . . 47 VAL CO . 51324 1 200 . 1 . 1 47 47 VAL CA C 13 62.560 0.10 . 1 . . . . . 47 VAL CA . 51324 1 201 . 1 . 1 47 47 VAL CB C 13 32.620 0.10 . 1 . . . . . 47 VAL CB . 51324 1 202 . 1 . 1 47 47 VAL N N 15 119.085 0.10 . 1 . . . . . 47 VAL N . 51324 1 203 . 1 . 1 48 48 GLY H H 1 8.582 0.01 . 1 . . . . . 48 GLY HN . 51324 1 204 . 1 . 1 48 48 GLY C C 13 174.786 0.01 . 1 . . . . . 48 GLY CO . 51324 1 205 . 1 . 1 48 48 GLY CA C 13 45.300 0.10 . 1 . . . . . 48 GLY CA . 51324 1 206 . 1 . 1 48 48 GLY N N 15 112.511 0.10 . 1 . . . . . 48 GLY N . 51324 1 207 . 1 . 1 49 49 GLY H H 1 8.236 0.01 . 1 . . . . . 49 GLY HN . 51324 1 208 . 1 . 1 49 49 GLY C C 13 174.220 0.01 . 1 . . . . . 49 GLY CO . 51324 1 209 . 1 . 1 49 49 GLY CA C 13 45.400 0.10 . 1 . . . . . 49 GLY CA . 51324 1 210 . 1 . 1 49 49 GLY N N 15 108.811 0.10 . 1 . . . . . 49 GLY N . 51324 1 211 . 1 . 1 50 50 ALA H H 1 8.30 0.01 . 1 . . . . . 50 ALA HN . 51324 1 212 . 1 . 1 50 50 ALA C C 13 178.48 0.01 . 1 . . . . . 50 ALA CO . 51324 1 213 . 1 . 1 50 50 ALA CA C 13 52.670 0.10 . 1 . . . . . 50 ALA CA . 51324 1 214 . 1 . 1 50 50 ALA CB C 13 19.220 0.10 . 1 . . . . . 50 ALA CB . 51324 1 215 . 1 . 1 50 50 ALA N N 15 123.887 0.10 . 1 . . . . . 50 ALA N . 51324 1 216 . 1 . 1 51 51 GLY H H 1 8.47 0.01 . 1 . . . . . 51 GLY HN . 51324 1 217 . 1 . 1 51 51 GLY C C 13 174.891 0.01 . 1 . . . . . 51 GLY CO . 51324 1 218 . 1 . 1 51 51 GLY CA C 13 45.400 0.10 . 1 . . . . . 51 GLY CA . 51324 1 219 . 1 . 1 51 51 GLY N N 15 108.194 0.10 . 1 . . . . . 51 GLY N . 51324 1 220 . 1 . 1 52 52 GLY H H 1 8.218 0.01 . 1 . . . . . 52 GLY HN . 51324 1 221 . 1 . 1 52 52 GLY C C 13 174.179 0.01 . 1 . . . . . 52 GLY CO . 51324 1 222 . 1 . 1 52 52 GLY CA C 13 45.230 0.10 . 1 . . . . . 52 GLY CA . 51324 1 223 . 1 . 1 52 52 GLY N N 15 108.693 0.10 . 1 . . . . . 52 GLY N . 51324 1 224 . 1 . 1 53 53 ALA C C 13 178.135 0.01 . 1 . . . . . 53 ALA CO . 51324 1 225 . 1 . 1 53 53 ALA CA C 13 52.610 0.10 . 1 . . . . . 53 ALA CA . 51324 1 226 . 1 . 1 53 53 ALA CB C 13 19.219 0.10 . 1 . . . . . 53 ALA CB . 51324 1 227 . 1 . 1 53 53 ALA N N 15 123.992 0.10 . 1 . . . . . 53 ALA N . 51324 1 228 . 1 . 1 54 54 SER H H 1 8.365 0.01 . 1 . . . . . 54 SER HN . 51324 1 229 . 1 . 1 54 54 SER C C 13 175.240 0.10 . 1 . . . . . 54 SER CO . 51324 1 230 . 1 . 1 54 54 SER CA C 13 58.510 0.10 . 1 . . . . . 54 SER CA . 51324 1 231 . 1 . 1 54 54 SER CB C 13 63.850 0.10 . 1 . . . . . 54 SER CB . 51324 1 232 . 1 . 1 54 54 SER N N 15 115.100 0.10 . 1 . . . . . 54 SER N . 51324 1 233 . 1 . 1 55 55 GLY H H 1 8.391 0.01 . 1 . . . . . 55 GLY HN . 51324 1 234 . 1 . 1 55 55 GLY C C 13 174.735 0.01 . 1 . . . . . 55 GLY CO . 51324 1 235 . 1 . 1 55 55 GLY CA C 13 45.460 0.10 . 1 . . . . . 55 GLY CA . 51324 1 236 . 1 . 1 55 55 GLY N N 15 110.620 0.10 . 1 . . . . . 55 GLY N . 51324 1 237 . 1 . 1 56 56 GLY H H 1 8.285 0.01 . 1 . . . . . 56 GLY HN . 51324 1 238 . 1 . 1 56 56 GLY C C 13 174.587 0.01 . 1 . . . . . 56 GLY CO . 51324 1 239 . 1 . 1 56 56 GLY CA C 13 45.290 0.10 . 1 . . . . . 56 GLY CA . 51324 1 240 . 1 . 1 56 56 GLY N N 15 108.617 0.10 . 1 . . . . . 56 GLY N . 51324 1 241 . 1 . 1 57 57 THR H H 1 8.178 0.01 . 1 . . . . . 57 THR HN . 51324 1 242 . 1 . 1 57 57 THR C C 13 175.410 0.01 . 1 . . . . . 57 THR CO . 51324 1 243 . 1 . 1 57 57 THR CA C 13 61.950 0.10 . 1 . . . . . 57 THR CA . 51324 1 244 . 1 . 1 57 57 THR CB C 13 69.870 0.10 . 1 . . . . . 57 THR CB . 51324 1 245 . 1 . 1 57 57 THR N N 15 112.827 0.10 . 1 . . . . . 57 THR N . 51324 1 246 . 1 . 1 58 58 GLY H H 1 8.485 0.01 . 1 . . . . . 58 GLY HN . 51324 1 247 . 1 . 1 58 58 GLY C C 13 174.406 0.01 . 1 . . . . . 58 GLY CO . 51324 1 248 . 1 . 1 58 58 GLY CA C 13 45.314 0.10 . 1 . . . . . 58 GLY CA . 51324 1 249 . 1 . 1 58 58 GLY N N 15 111.261 0.10 . 1 . . . . . 58 GLY N . 51324 1 250 . 1 . 1 59 59 VAL H H 1 8.072 0.01 . 1 . . . . . 59 VAL HN . 51324 1 251 . 1 . 1 59 59 VAL C C 13 177.084 0.01 . 1 . . . . . 59 VAL CO . 51324 1 252 . 1 . 1 59 59 VAL CA C 13 62.595 0.10 . 1 . . . . . 59 VAL CA . 51324 1 253 . 1 . 1 59 59 VAL CB C 13 32.670 0.10 . 1 . . . . . 59 VAL CB . 51324 1 254 . 1 . 1 59 59 VAL N N 15 119.088 0.10 . 1 . . . . . 59 VAL N . 51324 1 255 . 1 . 1 60 60 GLY H H 1 8.591 0.01 . 1 . . . . . 60 GLY HN . 51324 1 256 . 1 . 1 60 60 GLY C C 13 174.839 0.01 . 1 . . . . . 60 GLY CO . 51324 1 257 . 1 . 1 60 60 GLY CA C 13 45.397 0.10 . 1 . . . . . 60 GLY CA . 51324 1 258 . 1 . 1 60 60 GLY N N 15 112.528 0.10 . 1 . . . . . 60 GLY N . 51324 1 259 . 1 . 1 61 61 GLY H H 1 8.264 0.01 . 1 . . . . . 61 GLY HN . 51324 1 260 . 1 . 1 61 61 GLY C C 13 174.559 0.01 . 1 . . . . . 61 GLY CO . 51324 1 261 . 1 . 1 61 61 GLY CA C 13 45.353 0.10 . 1 . . . . . 61 GLY CA . 51324 1 262 . 1 . 1 61 61 GLY N N 15 108.591 0.10 . 1 . . . . . 61 GLY N . 51324 1 263 . 1 . 1 62 62 ARG H H 1 8.295 0.01 . 1 . . . . . 62 ARG HN . 51324 1 264 . 1 . 1 62 62 ARG C C 13 177.111 0.01 . 1 . . . . . 62 ARG CO . 51324 1 265 . 1 . 1 62 62 ARG CA C 13 56.321 0.10 . 1 . . . . . 62 ARG CA . 51324 1 266 . 1 . 1 62 62 ARG CB C 13 30.697 0.10 . 1 . . . . . 62 ARG CB . 51324 1 267 . 1 . 1 62 62 ARG N N 15 120.415 0.10 . 1 . . . . . 62 ARG N . 51324 1 268 . 1 . 1 63 63 GLY H H 1 8.525 0.01 . 1 . . . . . 63 GLY HN . 51324 1 269 . 1 . 1 63 63 GLY C C 13 174.741 0.01 . 1 . . . . . 63 GLY CO . 51324 1 270 . 1 . 1 63 63 GLY CA C 13 45.416 0.10 . 1 . . . . . 63 GLY CA . 51324 1 271 . 1 . 1 63 63 GLY N N 15 109.932 0.10 . 1 . . . . . 63 GLY N . 51324 1 272 . 1 . 1 64 64 GLY H H 1 8.260 0.01 . 1 . . . . . 64 GLY HN . 51324 1 273 . 1 . 1 64 64 GLY C C 13 174.411 0.01 . 1 . . . . . 64 GLY CO . 51324 1 274 . 1 . 1 64 64 GLY CA C 13 45.204 0.10 . 1 . . . . . 64 GLY CA . 51324 1 275 . 1 . 1 64 64 GLY N N 15 108.565 0.10 . 1 . . . . . 64 GLY N . 51324 1 276 . 1 . 1 65 65 LYS H H 1 8.318 0.01 . 1 . . . . . 65 LYS HN . 51324 1 277 . 1 . 1 65 65 LYS C C 13 177.388 0.01 . 1 . . . . . 65 LYS CO . 51324 1 278 . 1 . 1 65 65 LYS CA C 13 56.401 0.10 . 1 . . . . . 65 LYS CA . 51324 1 279 . 1 . 1 65 65 LYS CB C 13 33.023 0.10 . 1 . . . . . 65 LYS CB . 51324 1 280 . 1 . 1 65 65 LYS N N 15 120.866 0.10 . 1 . . . . . 65 LYS N . 51324 1 281 . 1 . 1 66 66 GLY H H 1 8.538 0.01 . 1 . . . . . 66 GLY HN . 51324 1 282 . 1 . 1 66 66 GLY C C 13 174.740 0.01 . 1 . . . . . 66 GLY CO . 51324 1 283 . 1 . 1 66 66 GLY CA C 13 45.414 0.10 . 1 . . . . . 66 GLY CA . 51324 1 284 . 1 . 1 66 66 GLY N N 15 110.200 0.10 . 1 . . . . . 66 GLY N . 51324 1 285 . 1 . 1 67 67 GLY H H 1 8.281 0.01 . 1 . . . . . 67 GLY HN . 51324 1 286 . 1 . 1 67 67 GLY C C 13 174.470 0.01 . 1 . . . . . 67 GLY CO . 51324 1 287 . 1 . 1 67 67 GLY CA C 13 45.200 0.10 . 1 . . . . . 67 GLY CA . 51324 1 288 . 1 . 1 67 67 GLY N N 15 108.750 0.10 . 1 . . . . . 67 GLY N . 51324 1 289 . 1 . 1 68 68 SER H H 1 8.358 0.01 . 1 . . . . . 68 SER HN . 51324 1 290 . 1 . 1 68 68 SER C C 13 175.127 0.01 . 1 . . . . . 68 SER CO . 51324 1 291 . 1 . 1 68 68 SER CA C 13 58.510 0.10 . 1 . . . . . 68 SER CA . 51324 1 292 . 1 . 1 68 68 SER CB C 13 63.960 0.10 . 1 . . . . . 68 SER CB . 51324 1 293 . 1 . 1 68 68 SER N N 15 115.614 0.10 . 1 . . . . . 68 SER N . 51324 1 294 . 1 . 1 69 69 GLY H H 1 8.511 0.01 . 1 . . . . . 69 GLY HN . 51324 1 295 . 1 . 1 69 69 GLY C C 13 173.966 0.01 . 1 . . . . . 69 GLY CO . 51324 1 296 . 1 . 1 69 69 GLY CA C 13 45.160 0.10 . 1 . . . . . 69 GLY CA . 51324 1 297 . 1 . 1 69 69 GLY N N 15 110.889 0.10 . 1 . . . . . 69 GLY N . 51324 1 298 . 1 . 1 70 70 THR H H 1 8.103 0.01 . 1 . . . . . 70 THR HN . 51324 1 299 . 1 . 1 70 70 THR C C 13 172.960 0.01 . 1 . . . . . 70 THR CO . 51324 1 300 . 1 . 1 70 70 THR N N 15 116.602 0.10 . 1 . . . . . 70 THR N . 51324 1 301 . 1 . 1 71 71 PRO C C 13 176.889 0.01 . 1 . . . . . 71 PRO CO . 51324 1 302 . 1 . 1 71 71 PRO CA C 13 63.242 0.10 . 1 . . . . . 71 PRO CA . 51324 1 303 . 1 . 1 71 71 PRO CB C 13 32.249 0.10 . 1 . . . . . 71 PRO CB . 51324 1 304 . 1 . 1 71 71 PRO N N 15 139.500 0.10 . 1 . . . . . 71 PRO N . 51324 1 305 . 1 . 1 72 72 LYS H H 1 8.461 0.01 . 1 . . . . . 72 LYS HN . 51324 1 306 . 1 . 1 72 72 LYS C C 13 177.270 0.01 . 1 . . . . . 72 LYS CO . 51324 1 307 . 1 . 1 72 72 LYS CA C 13 56.420 0.10 . 1 . . . . . 72 LYS CA . 51324 1 308 . 1 . 1 72 72 LYS CB C 13 33.185 0.10 . 1 . . . . . 72 LYS CB . 51324 1 309 . 1 . 1 72 72 LYS N N 15 121.970 0.10 . 1 . . . . . 72 LYS N . 51324 1 310 . 1 . 1 73 73 GLY H H 1 8.447 0.01 . 1 . . . . . 73 GLY HN . 51324 1 311 . 1 . 1 73 73 GLY C C 13 174.030 0.01 . 1 . . . . . 73 GLY CO . 51324 1 312 . 1 . 1 73 73 GLY CA C 13 45.245 0.10 . 1 . . . . . 73 GLY CA . 51324 1 313 . 1 . 1 73 73 GLY N N 15 110.533 0.10 . 1 . . . . . 73 GLY N . 51324 1 314 . 1 . 1 74 74 ALA H H 1 8.279 0.01 . 1 . . . . . 74 ALA HN . 51324 1 315 . 1 . 1 74 74 ALA C C 13 177.725 0.01 . 1 . . . . . 74 ALA CO . 51324 1 316 . 1 . 1 74 74 ALA CA C 13 52.590 0.10 . 1 . . . . . 74 ALA CA . 51324 1 317 . 1 . 1 74 74 ALA CB C 13 19.270 0.10 . 1 . . . . . 74 ALA CB . 51324 1 318 . 1 . 1 74 74 ALA N N 15 123.921 0.10 . 1 . . . . . 74 ALA N . 51324 1 319 . 1 . 1 75 75 ASP H H 1 8.390 0.01 . 1 . . . . . 75 ASP HN . 51324 1 320 . 1 . 1 75 75 ASP C C 13 176.640 0.01 . 1 . . . . . 75 ASP CO . 51324 1 321 . 1 . 1 75 75 ASP CA C 13 54.320 0.10 . 1 . . . . . 75 ASP CA . 51324 1 322 . 1 . 1 75 75 ASP CB C 13 40.830 0.10 . 1 . . . . . 75 ASP CB . 51324 1 323 . 1 . 1 75 75 ASP N N 15 119.117 0.10 . 1 . . . . . 75 ASP N . 51324 1 324 . 1 . 1 76 76 GLY H H 1 8.270 0.01 . 1 . . . . . 76 GLY HN . 51324 1 325 . 1 . 1 76 76 GLY C C 13 173.536 0.01 . 1 . . . . . 76 GLY CO . 51324 1 326 . 1 . 1 76 76 GLY CA C 13 45.078 0.10 . 1 . . . . . 76 GLY CA . 51324 1 327 . 1 . 1 76 76 GLY N N 15 109.070 0.10 . 1 . . . . . 76 GLY N . 51324 1 328 . 1 . 1 77 77 ALA H H 1 8.090 0.01 . 1 . . . . . 77 ALA HN . 51324 1 329 . 1 . 1 77 77 ALA C C 13 175.630 0.01 . 1 . . . . . 77 ALA CO . 51324 1 330 . 1 . 1 77 77 ALA N N 15 124.930 0.10 . 1 . . . . . 77 ALA N . 51324 1 331 . 1 . 1 78 78 PRO C C 13 177.678 0.01 . 1 . . . . . 78 PRO CO . 51324 1 332 . 1 . 1 78 78 PRO CA C 13 63.420 0.10 . 1 . . . . . 78 PRO CA . 51324 1 333 . 1 . 1 78 78 PRO CB C 13 32.070 0.10 . 1 . . . . . 78 PRO CB . 51324 1 334 . 1 . 1 78 78 PRO N N 15 135.914 0.10 . 1 . . . . . 78 PRO N . 51324 1 335 . 1 . 1 79 79 GLY H H 1 8.461 0.01 . 1 . . . . . 79 GLY HN . 51324 1 336 . 1 . 1 79 79 GLY C C 13 173.359 0.01 . 1 . . . . . 79 GLY CO . 51324 1 337 . 1 . 1 79 79 GLY CA C 13 45.025 0.10 . 1 . . . . . 79 GLY CA . 51324 1 338 . 1 . 1 79 79 GLY N N 15 109.660 0.10 . 1 . . . . . 79 GLY N . 51324 1 339 . 1 . 1 80 80 ALA H H 1 8.052 0.01 . 1 . . . . . 80 ALA HN . 51324 1 340 . 1 . 1 80 80 ALA C C 13 174.790 0.01 . 1 . . . . . 80 ALA CO . 51324 1 341 . 1 . 1 80 80 ALA N N 15 125.374 0.10 . 1 . . . . . 80 ALA N . 51324 1 342 . 1 . 1 81 81 PRO N N 15 140.295 0.10 . 1 . . . . . 81 PRO N . 51324 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51324 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'sfAFP reduced unfolded pH 6.1, 5oC' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '0.1 for 13CA and 13CB, 0.01 ppm for 13CO' _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' . . . 51324 2 2 '3D HNCA' . . . 51324 2 3 '3D HNCO' . . . 51324 2 4 '3D CBCA(CO)NH' . . . 51324 2 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 2 $software_2 . . 51324 2 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 CYS C C 13 174.430 0.01 . 1 . . . . . 1 CYS CO . 51324 2 2 . 1 . 1 1 1 CYS CA C 13 55.670 0.10 . 1 . . . . . 1 CYS CA . 51324 2 3 . 1 . 1 1 1 CYS CB C 13 29.770 0.10 . 1 . . . . . 1 CYS CB . 51324 2 4 . 1 . 1 2 2 LYS H H 1 8.450 0.01 . 1 . . . . . 2 LYS HN . 51324 2 5 . 1 . 1 2 2 LYS C C 13 177.220 0.01 . 1 . . . . . 2 LYS CO . 51324 2 6 . 1 . 1 2 2 LYS CA C 13 56.740 0.10 . 1 . . . . . 2 LYS CA . 51324 2 7 . 1 . 1 2 2 LYS CB C 13 32.840 0.10 . 1 . . . . . 2 LYS CB . 51324 2 8 . 1 . 1 2 2 LYS N N 15 123.050 0.10 . 1 . . . . . 2 LYS N . 51324 2 9 . 1 . 1 3 3 GLY H H 1 8.510 0.01 . 1 . . . . . 3 GLY HN . 51324 2 10 . 1 . 1 3 3 GLY C C 13 174.130 0.01 . 1 . . . . . 3 GLY CO . 51324 2 11 . 1 . 1 3 3 GLY CA C 13 45.100 0.10 . 1 . . . . . 3 GLY CA . 51324 2 12 . 1 . 1 3 3 GLY N N 15 110.070 0.10 . 1 . . . . . 3 GLY N . 51324 2 13 . 1 . 1 4 4 ALA H H 1 8.360 0.01 . 1 . . . . . 4 ALA HN . 51324 2 14 . 1 . 1 4 4 ALA C C 13 177.810 0.01 . 1 . . . . . 4 ALA CO . 51324 2 15 . 1 . 1 4 4 ALA CA C 13 52.620 0.10 . 1 . . . . . 4 ALA CA . 51324 2 16 . 1 . 1 4 4 ALA CB C 13 19.180 0.10 . 1 . . . . . 4 ALA CB . 51324 2 17 . 1 . 1 4 4 ALA N N 15 124.120 0.10 . 1 . . . . . 4 ALA N . 51324 2 18 . 1 . 1 5 5 ASP H H 1 8.500 0.01 . 1 . . . . . 5 ASP HN . 51324 2 19 . 1 . 1 5 5 ASP C C 13 176.980 0.01 . 1 . . . . . 5 ASP CO . 51324 2 20 . 1 . 1 5 5 ASP CA C 13 54.440 0.10 . 1 . . . . . 5 ASP CA . 51324 2 21 . 1 . 1 5 5 ASP CB C 13 41.000 0.10 . 1 . . . . . 5 ASP CB . 51324 2 22 . 1 . 1 5 5 ASP N N 15 119.400 0.10 . 1 . . . . . 5 ASP N . 51324 2 23 . 1 . 1 6 6 GLY H H 1 8.380 0.01 . 1 . . . . . 6 GLY HN . 51324 2 24 . 1 . 1 6 6 GLY C C 13 174.120 0.01 . 1 . . . . . 6 GLY CO . 51324 2 25 . 1 . 1 6 6 GLY CA C 13 45.390 0.10 . 1 . . . . . 6 GLY CA . 51324 2 26 . 1 . 1 6 6 GLY N N 15 109.400 0.10 . 1 . . . . . 6 GLY N . 51324 2 27 . 1 . 1 7 7 ALA H H 1 8.220 0.01 . 1 . . . . . 7 ALA HN . 51324 2 28 . 1 . 1 7 7 ALA C C 13 177.780 0.01 . 1 . . . . . 7 ALA CO . 51324 2 29 . 1 . 1 7 7 ALA CA C 13 52.580 0.10 . 1 . . . . . 7 ALA CA . 51324 2 30 . 1 . 1 7 7 ALA CB C 13 19.090 0.10 . 1 . . . . . 7 ALA CB . 51324 2 31 . 1 . 1 7 7 ALA N N 15 123.320 0.10 . 1 . . . . . 7 ALA N . 51324 2 32 . 1 . 1 8 8 HIS H H 1 8.540 0.01 . 1 . . . . . 8 HIS HN . 51324 2 33 . 1 . 1 8 8 HIS C C 13 175.100 0.01 . 1 . . . . . 8 HIS CO . 51324 2 34 . 1 . 1 8 8 HIS CA C 13 55.350 0.10 . 1 . . . . . 8 HIS CA . 51324 2 35 . 1 . 1 8 8 HIS CB C 13 29.330 0.10 . 1 . . . . . 8 HIS CB . 51324 2 36 . 1 . 1 8 8 HIS N N 15 117.430 0.10 . 1 . . . . . 8 HIS N . 51324 2 37 . 1 . 1 9 9 GLY H H 1 8.460 0.01 . 1 . . . . . 9 GLY HN . 51324 2 38 . 1 . 1 9 9 GLY C C 13 174.250 0.01 . 1 . . . . . 9 GLY CO . 51324 2 39 . 1 . 1 9 9 GLY CA C 13 45.090 0.10 . 1 . . . . . 9 GLY CA . 51324 2 40 . 1 . 1 9 9 GLY N N 15 109.820 0.10 . 1 . . . . . 9 GLY N . 51324 2 41 . 1 . 1 10 10 VAL H H 1 8.280 0.01 . 1 . . . . . 10 VAL HN . 51324 2 42 . 1 . 1 10 10 VAL C C 13 176.880 0.10 . 1 . . . . . 10 VAL CO . 51324 2 43 . 1 . 1 10 10 VAL CA C 13 62.440 0.10 . 1 . . . . . 10 VAL CA . 51324 2 44 . 1 . 1 10 10 VAL CB C 13 32.630 0.10 . 1 . . . . . 10 VAL CB . 51324 2 45 . 1 . 1 10 10 VAL N N 15 119.440 0.10 . 1 . . . . . 10 VAL N . 51324 2 46 . 1 . 1 11 11 ASN H H 1 8.760 0.01 . 1 . . . . . 11 ASN HN . 51324 2 47 . 1 . 1 11 11 ASN C C 13 176.360 0.10 . 1 . . . . . 11 ASN CO . 51324 2 48 . 1 . 1 11 11 ASN CA C 13 53.370 0.10 . 1 . . . . . 11 ASN CA . 51324 2 49 . 1 . 1 11 11 ASN CB C 13 38.830 0.01 . 1 . . . . . 11 ASN CB . 51324 2 50 . 1 . 1 11 11 ASN N N 15 122.310 0.10 . 1 . . . . . 11 ASN N . 51324 2 51 . 1 . 1 12 12 GLY H H 1 8.460 0.01 . 1 . . . . . 12 GLY HN . 51324 2 52 . 1 . 1 12 12 GLY C C 13 173.660 0.01 . 1 . . . . . 12 GLY CO . 51324 2 53 . 1 . 1 12 12 GLY CA C 13 45.200 0.10 . 1 . . . . . 12 GLY CA . 51324 2 54 . 1 . 1 12 12 GLY N N 15 109.330 0.10 . 1 . . . . . 12 GLY N . 51324 2 55 . 1 . 1 13 13 CYS H H 1 8.320 0.01 . 1 . . . . . 13 CYS HN . 51324 2 56 . 1 . 1 13 13 CYS CA C 13 54.840 0.10 . 1 . . . . . 13 CYS CA . 51324 2 57 . 1 . 1 13 13 CYS N N 15 120.550 0.10 . 1 . . . . . 13 CYS N . 51324 2 58 . 1 . 1 14 14 PRO C C 13 177.480 0.01 . 1 . . . . . 14 PRO CO . 51324 2 59 . 1 . 1 14 14 PRO CA C 13 63.630 0.10 . 1 . . . . . 14 PRO CA . 51324 2 60 . 1 . 1 14 14 PRO CB C 13 32.190 0.10 . 1 . . . . . 14 PRO CB . 51324 2 61 . 1 . 1 14 14 PRO N N 15 138.580 0.10 . 1 . . . . . 14 PRO N . 51324 2 62 . 1 . 1 15 15 GLY H H 1 8.620 0.01 . 1 . . . . . 15 GLY HN . 51324 2 63 . 1 . 1 15 15 GLY C C 13 174.420 0.01 . 1 . . . . . 15 GLY CO . 51324 2 64 . 1 . 1 15 15 GLY CA C 13 45.160 0.10 . 1 . . . . . 15 GLY CA . 51324 2 65 . 1 . 1 15 15 GLY N N 15 109.640 0.10 . 1 . . . . . 15 GLY N . 51324 2 66 . 1 . 1 16 16 THR H H 1 8.150 0.01 . 1 . . . . . 16 THR HN . 51324 2 67 . 1 . 1 16 16 THR C C 13 174.670 0.01 . 1 . . . . . 16 THR CO . 51324 2 68 . 1 . 1 16 16 THR CA C 13 61.750 0.10 . 1 . . . . . 16 THR CA . 51324 2 69 . 1 . 1 16 16 THR CB C 13 70.000 0.10 . 1 . . . . . 16 THR CB . 51324 2 70 . 1 . 1 16 16 THR N N 15 113.600 0.10 . 1 . . . . . 16 THR N . 51324 2 71 . 1 . 1 17 17 ALA H H 1 8.580 0.01 . 1 . . . . . 17 ALA HN . 51324 2 72 . 1 . 1 17 17 ALA C C 13 178.130 0.01 . 1 . . . . . 17 ALA CO . 51324 2 73 . 1 . 1 17 17 ALA CA C 13 52.900 0.10 . 1 . . . . . 17 ALA CA . 51324 2 74 . 1 . 1 17 17 ALA CB C 13 19.080 0.10 . 1 . . . . . 17 ALA CB . 51324 2 75 . 1 . 1 17 17 ALA N N 15 126.860 0.10 . 1 . . . . . 17 ALA N . 51324 2 76 . 1 . 1 18 18 GLY H H 1 8.510 0.01 . 1 . . . . . 18 GLY HN . 51324 2 77 . 1 . 1 18 18 GLY C C 13 173.990 0.01 . 1 . . . . . 18 GLY CO . 51324 2 78 . 1 . 1 18 18 GLY CA C 13 45.190 0.10 . 1 . . . . . 18 GLY CA . 51324 2 79 . 1 . 1 18 18 GLY N N 15 108.370 0.10 . 1 . . . . . 18 GLY N . 51324 2 80 . 1 . 1 19 19 ALA H H 1 8.250 0.01 . 1 . . . . . 19 ALA HN . 51324 2 81 . 1 . 1 19 19 ALA C C 13 177.903 0.01 . 1 . . . . . 19 ALA CO . 51324 2 82 . 1 . 1 19 19 ALA CA C 13 52.410 0.10 . 1 . . . . . 19 ALA CA . 51324 2 83 . 1 . 1 19 19 ALA CB C 13 19.290 0.10 . 1 . . . . . 19 ALA CB . 51324 2 84 . 1 . 1 19 19 ALA N N 15 123.930 0.10 . 1 . . . . . 19 ALA N . 51324 2 85 . 1 . 1 20 20 ALA H H 1 8.530 0.01 . 1 . . . . . 20 ALA HN . 51324 2 86 . 1 . 1 20 20 ALA C C 13 178.490 0.01 . 1 . . . . . 20 ALA CO . 51324 2 87 . 1 . 1 20 20 ALA CA C 13 52.880 0.10 . 1 . . . . . 20 ALA CA . 51324 2 88 . 1 . 1 20 20 ALA CB C 13 19.020 0.10 . 1 . . . . . 20 ALA CB . 51324 2 89 . 1 . 1 20 20 ALA N N 15 123.730 0.10 . 1 . . . . . 20 ALA N . 51324 2 90 . 1 . 1 21 21 GLY H H 1 8.490 0.01 . 1 . . . . . 21 GLY HN . 51324 2 91 . 1 . 1 21 21 GLY C C 13 174.174 0.01 . 1 . . . . . 21 GLY CO . 51324 2 92 . 1 . 1 21 21 GLY CA C 13 45.160 0.10 . 1 . . . . . 21 GLY CA . 51324 2 93 . 1 . 1 21 21 GLY N N 15 108.451 0.10 . 1 . . . . . 21 GLY N . 51324 2 94 . 1 . 1 22 22 SER H H 1 8.270 0.01 . 1 . . . . . 22 SER HN . 51324 2 95 . 1 . 1 22 22 SER C C 13 174.760 0.01 . 1 . . . . . 22 SER CO . 51324 2 96 . 1 . 1 22 22 SER CA C 13 58.220 0.10 . 1 . . . . . 22 SER CA . 51324 2 97 . 1 . 1 22 22 SER CB C 13 64.010 0.10 . 1 . . . . . 22 SER CB . 51324 2 98 . 1 . 1 22 22 SER N N 15 115.790 0.10 . 1 . . . . . 22 SER N . 51324 2 99 . 1 . 1 23 23 VAL H H 1 8.390 0.01 . 1 . . . . . 23 VAL HN . 51324 2 100 . 1 . 1 23 23 VAL C C 13 174.220 0.01 . 1 . . . . . 23 VAL CO . 51324 2 101 . 1 . 1 23 23 VAL CA C 13 62.570 0.10 . 1 . . . . . 23 VAL CA . 51324 2 102 . 1 . 1 23 23 VAL CB C 13 32.660 0.10 . 1 . . . . . 23 VAL CB . 51324 2 103 . 1 . 1 23 23 VAL N N 15 121.891 0.10 . 1 . . . . . 23 VAL N . 51324 2 104 . 1 . 1 24 24 GLY H H 1 8.610 0.01 . 1 . . . . . 24 GLY HN . 51324 2 105 . 1 . 1 24 24 GLY C C 13 174.220 0.01 . 1 . . . . . 24 GLY CO . 51324 2 106 . 1 . 1 24 24 GLY CA C 13 45.112 0.10 . 1 . . . . . 24 GLY CA . 51324 2 107 . 1 . 1 24 24 GLY N N 15 112.730 0.10 . 1 . . . . . 24 GLY N . 51324 2 108 . 1 . 1 25 25 GLY H H 1 8.240 0.01 . 1 . . . . . 25 GLY HN . 51324 2 109 . 1 . 1 25 25 GLY C C 13 174.200 0.10 . 1 . . . . . 25 GLY CO . 51324 2 110 . 1 . 1 25 25 GLY CA C 13 44.500 0.10 . 1 . . . . . 25 GLY CA . 51324 2 111 . 1 . 1 25 25 GLY N N 15 109.000 0.01 . 1 . . . . . 25 GLY N . 51324 2 112 . 1 . 1 26 26 PRO C C 13 177.950 0.01 . 1 . . . . . 26 PRO CO . 51324 2 113 . 1 . 1 26 26 PRO CA C 13 63.560 0.10 . 1 . . . . . 26 PRO CA . 51324 2 114 . 1 . 1 26 26 PRO CB C 13 32.010 0.10 . 1 . . . . . 26 PRO CB . 51324 2 115 . 1 . 1 26 26 PRO N N 15 134.170 0.10 . 1 . . . . . 26 PRO N . 51324 2 116 . 1 . 1 27 27 GLY H H 1 8.760 0.01 . 1 . . . . . 27 GLY HN . 51324 2 117 . 1 . 1 27 27 GLY C C 13 174.590 0.01 . 1 . . . . . 27 GLY CO . 51324 2 118 . 1 . 1 27 27 GLY CA C 13 45.280 0.10 . 1 . . . . . 27 GLY CA . 51324 2 119 . 1 . 1 27 27 GLY N N 15 110.030 0.10 . 1 . . . . . 27 GLY N . 51324 2 120 . 1 . 1 28 28 CYS H H 1 8.282 0.01 . 1 . . . . . 28 CYS HN . 51324 2 121 . 1 . 1 28 28 CYS C C 13 174.590 0.01 . 1 . . . . . 28 CYS CO . 51324 2 122 . 1 . 1 28 28 CYS CA C 13 58.600 0.10 . 1 . . . . . 28 CYS CA . 51324 2 123 . 1 . 1 28 28 CYS CB C 13 28.120 0.10 . 1 . . . . . 28 CYS CB . 51324 2 124 . 1 . 1 28 28 CYS N N 15 118.740 0.10 . 1 . . . . . 28 CYS N . 51324 2 125 . 1 . 1 29 29 ASP H H 1 8.610 0.01 . 1 . . . . . 29 ASP HN . 51324 2 126 . 1 . 1 29 29 ASP C C 13 176.900 0.01 . 1 . . . . . 29 ASP CO . 51324 2 127 . 1 . 1 29 29 ASP CA C 13 54.360 0.10 . 1 . . . . . 29 ASP CA . 51324 2 128 . 1 . 1 29 29 ASP CB C 13 41.130 0.10 . 1 . . . . . 29 ASP CB . 51324 2 129 . 1 . 1 29 29 ASP N N 15 122.730 0.10 . 1 . . . . . 29 ASP N . 51324 2 130 . 1 . 1 30 30 GLY H H 1 8.530 0.01 . 1 . . . . . 30 GLY HN . 51324 2 131 . 1 . 1 30 30 GLY C C 13 174.951 0.01 . 1 . . . . . 30 GLY CO . 51324 2 132 . 1 . 1 30 30 GLY CA C 13 45.550 0.10 . 1 . . . . . 30 GLY CA . 51324 2 133 . 1 . 1 30 30 GLY N N 15 109.910 0.10 . 1 . . . . . 30 GLY N . 51324 2 134 . 1 . 1 31 31 GLY H H 1 8.410 0.01 . 1 . . . . . 31 GLY HN . 51324 2 135 . 1 . 1 31 31 GLY C C 13 174.370 0.01 . 1 . . . . . 31 GLY CO . 51324 2 136 . 1 . 1 31 31 GLY CA C 13 45.250 0.10 . 1 . . . . . 31 GLY CA . 51324 2 137 . 1 . 1 31 31 GLY N N 15 108.360 0.10 . 1 . . . . . 31 GLY N . 51324 2 138 . 1 . 1 32 32 HIS H H 1 8.400 0.01 . 1 . . . . . 32 HIS HN . 51324 2 139 . 1 . 1 32 32 HIS C C 13 175.341 0.01 . 1 . . . . . 32 HIS CO . 51324 2 140 . 1 . 1 32 32 HIS CA C 13 55.580 0.10 . 1 . . . . . 32 HIS CA . 51324 2 141 . 1 . 1 32 32 HIS CB C 13 29.200 0.10 . 1 . . . . . 32 HIS CB . 51324 2 142 . 1 . 1 32 32 HIS N N 15 117.780 0.10 . 1 . . . . . 32 HIS N . 51324 2 143 . 1 . 1 33 33 GLY H H 1 8.670 0.01 . 1 . . . . . 33 GLY HN . 51324 2 144 . 1 . 1 33 33 GLY C C 13 174.270 0.01 . 1 . . . . . 33 GLY CO . 51324 2 145 . 1 . 1 33 33 GLY CA C 13 45.441 0.10 . 1 . . . . . 33 GLY CA . 51324 2 146 . 1 . 1 33 33 GLY N N 15 110.010 0.10 . 1 . . . . . 33 GLY N . 51324 2 147 . 1 . 1 34 34 GLY C C 13 174.252 0.01 . 1 . . . . . 34 GLY CO . 51324 2 148 . 1 . 1 34 34 GLY CA C 13 45.210 0.10 . 1 . . . . . 34 GLY CA . 51324 2 149 . 1 . 1 35 35 ASN H H 1 8.600 0.01 . 1 . . . . . 35 ASN HN . 51324 2 150 . 1 . 1 35 35 ASN C C 13 176.110 0.01 . 1 . . . . . 35 ASN CO . 51324 2 151 . 1 . 1 35 35 ASN CA C 13 53.240 0.10 . 1 . . . . . 35 ASN CA . 51324 2 152 . 1 . 1 35 35 ASN CB C 13 38.870 0.10 . 1 . . . . . 35 ASN CB . 51324 2 153 . 1 . 1 35 35 ASN N N 15 118.740 0.10 . 1 . . . . . 35 ASN N . 51324 2 154 . 1 . 1 36 36 GLY H H 1 8.670 0.01 . 1 . . . . . 36 GLY HN . 51324 2 155 . 1 . 1 36 36 GLY C C 13 174.830 0.01 . 1 . . . . . 36 GLY CO . 51324 2 156 . 1 . 1 36 36 GLY CA C 13 45.500 0.20 . 1 . . . . . 36 GLY CA . 51324 2 157 . 1 . 1 36 36 GLY N N 15 109.630 0.10 . 1 . . . . . 36 GLY N . 51324 2 158 . 1 . 1 37 37 GLY H H 1 8.370 0.01 . 1 . . . . . 37 GLY HN . 51324 2 159 . 1 . 1 37 37 GLY C C 13 174.200 0.01 . 1 . . . . . 37 GLY CO . 51324 2 160 . 1 . 1 37 37 GLY CA C 13 45.260 0.10 . 1 . . . . . 37 GLY CA . 51324 2 161 . 1 . 1 37 37 GLY N N 15 108.680 0.10 . 1 . . . . . 37 GLY N . 51324 2 162 . 1 . 1 38 38 ASN H H 1 8.480 0.01 . 1 . . . . . 38 ASN HN . 51324 2 163 . 1 . 1 38 38 ASN C C 13 175.840 0.01 . 1 . . . . . 38 ASN CO . 51324 2 164 . 1 . 1 38 38 ASN CA C 13 53.270 0.10 . 1 . . . . . 38 ASN CA . 51324 2 165 . 1 . 1 38 38 ASN CB C 13 38.860 0.10 . 1 . . . . . 38 ASN CB . 51324 2 166 . 1 . 1 38 38 ASN N N 15 118.590 0.10 . 1 . . . . . 38 ASN N . 51324 2 167 . 1 . 1 39 39 GLY H H 1 8.560 0.01 . 1 . . . . . 39 GLY HN . 51324 2 168 . 1 . 1 39 39 GLY C C 13 173.580 0.01 . 1 . . . . . 39 GLY CO . 51324 2 169 . 1 . 1 39 39 GLY CA C 13 45.140 0.10 . 1 . . . . . 39 GLY CA . 51324 2 170 . 1 . 1 39 39 GLY N N 15 109.140 0.10 . 1 . . . . . 39 GLY N . 51324 2 171 . 1 . 1 40 40 ASN H H 1 8.400 0.01 . 1 . . . . . 40 ASN HN . 51324 2 172 . 1 . 1 40 40 ASN CA C 13 51.350 0.20 . 1 . . . . . 40 ASN CA . 51324 2 173 . 1 . 1 40 40 ASN N N 15 119.420 0.10 . 1 . . . . . 40 ASN N . 51324 2 174 . 1 . 1 41 41 PRO C C 13 177.650 0.01 . 1 . . . . . 41 PRO CO . 51324 2 175 . 1 . 1 41 41 PRO CA C 13 63.750 0.10 . 1 . . . . . 41 PRO CA . 51324 2 176 . 1 . 1 41 41 PRO CB C 13 32.050 0.10 . 1 . . . . . 41 PRO CB . 51324 2 177 . 1 . 1 42 42 GLY H H 1 8.610 0.01 . 1 . . . . . 42 GLY HN . 51324 2 178 . 1 . 1 42 42 GLY C C 13 174.190 0.01 . 1 . . . . . 42 GLY CO . 51324 2 179 . 1 . 1 42 42 GLY CA C 13 45.280 0.10 . 1 . . . . . 42 GLY CA . 51324 2 180 . 1 . 1 42 42 GLY N N 15 109.050 0.10 . 1 . . . . . 42 GLY N . 51324 2 181 . 1 . 1 43 43 CYS H H 1 8.220 0.01 . 1 . . . . . 43 CYS HN . 51324 2 182 . 1 . 1 43 43 CYS C C 13 174.580 0.01 . 1 . . . . . 43 CYS CO . 51324 2 183 . 1 . 1 43 43 CYS CA C 13 58.210 0.10 . 1 . . . . . 43 CYS CA . 51324 2 184 . 1 . 1 43 43 CYS CB C 13 28.320 0.10 . 1 . . . . . 43 CYS CB . 51324 2 185 . 1 . 1 43 43 CYS N N 15 118.730 0.10 . 1 . . . . . 43 CYS N . 51324 2 186 . 1 . 1 44 44 ALA H H 1 8.640 0.01 . 1 . . . . . 44 ALA HN . 51324 2 187 . 1 . 1 44 44 ALA C C 13 178.300 0.01 . 1 . . . . . 44 ALA CO . 51324 2 188 . 1 . 1 44 44 ALA CA C 13 52.930 0.10 . 1 . . . . . 44 ALA CA . 51324 2 189 . 1 . 1 44 44 ALA CB C 13 19.030 0.10 . 1 . . . . . 44 ALA CB . 51324 2 190 . 1 . 1 44 44 ALA N N 15 127.000 0.10 . 1 . . . . . 44 ALA N . 51324 2 191 . 1 . 1 45 45 GLY H H 1 8.550 0.01 . 1 . . . . . 45 GLY HN . 51324 2 192 . 1 . 1 45 45 GLY C C 13 174.670 0.01 . 1 . . . . . 45 GLY CO . 51324 2 193 . 1 . 1 45 45 GLY CA C 13 45.210 0.10 . 1 . . . . . 45 GLY CA . 51324 2 194 . 1 . 1 45 45 GLY N N 15 108.610 0.10 . 1 . . . . . 45 GLY N . 51324 2 195 . 1 . 1 46 46 GLY H H 1 8.300 0.01 . 1 . . . . . 46 GLY HN . 51324 2 196 . 1 . 1 46 46 GLY C C 13 174.390 0.01 . 1 . . . . . 46 GLY CO . 51324 2 197 . 1 . 1 46 46 GLY CA C 13 45.110 0.10 . 1 . . . . . 46 GLY CA . 51324 2 198 . 1 . 1 46 46 GLY N N 15 108.700 0.10 . 1 . . . . . 46 GLY N . 51324 2 199 . 1 . 1 47 47 VAL H H 1 8.270 0.01 . 1 . . . . . 47 VAL HN . 51324 2 200 . 1 . 1 47 47 VAL C C 13 177.200 0.01 . 1 . . . . . 47 VAL CO . 51324 2 201 . 1 . 1 47 47 VAL CA C 13 62.660 0.10 . 1 . . . . . 47 VAL CA . 51324 2 202 . 1 . 1 47 47 VAL CB C 13 32.530 0.10 . 1 . . . . . 47 VAL CB . 51324 2 203 . 1 . 1 47 47 VAL N N 15 119.300 0.10 . 1 . . . . . 47 VAL N . 51324 2 204 . 1 . 1 48 48 GLY H H 1 8.740 0.01 . 1 . . . . . 48 GLY HN . 51324 2 205 . 1 . 1 48 48 GLY C C 13 174.786 0.01 . 1 . . . . . 48 GLY CO . 51324 2 206 . 1 . 1 48 48 GLY CA C 13 45.300 0.10 . 1 . . . . . 48 GLY CA . 51324 2 207 . 1 . 1 48 48 GLY N N 15 112.870 0.10 . 1 . . . . . 48 GLY N . 51324 2 208 . 1 . 1 49 49 GLY H H 1 8.350 0.01 . 1 . . . . . 49 GLY HN . 51324 2 209 . 1 . 1 49 49 GLY C C 13 174.240 0.01 . 1 . . . . . 49 GLY CO . 51324 2 210 . 1 . 1 49 49 GLY CA C 13 45.120 0.10 . 1 . . . . . 49 GLY CA . 51324 2 211 . 1 . 1 49 49 GLY N N 15 108.901 0.10 . 1 . . . . . 49 GLY N . 51324 2 212 . 1 . 1 50 50 ALA H H 1 8.440 0.01 . 1 . . . . . 50 ALA HN . 51324 2 213 . 1 . 1 50 50 ALA C C 13 178.57 0.10 . 1 . . . . . 50 ALA C . 51324 2 214 . 1 . 1 50 50 ALA CA C 13 52.700 0.10 . 1 . . . . . 50 ALA CA . 51324 2 215 . 1 . 1 50 50 ALA CB C 13 19.110 0.10 . 1 . . . . . 50 ALA CB . 51324 2 216 . 1 . 1 50 50 ALA N N 15 123.950 0.10 . 1 . . . . . 50 ALA N . 51324 2 217 . 1 . 1 51 51 GLY H H 1 8.61 0.01 . 1 . . . . . 51 GLY HN . 51324 2 218 . 1 . 1 51 51 GLY C C 13 174.871 0.01 . 1 . . . . . 51 GLY CO . 51324 2 219 . 1 . 1 51 51 GLY CA C 13 45.340 0.10 . 1 . . . . . 51 GLY CA . 51324 2 220 . 1 . 1 51 51 GLY N N 15 108.420 0.10 . 1 . . . . . 51 GLY N . 51324 2 221 . 1 . 1 52 52 GLY H H 1 8.320 0.01 . 1 . . . . . 52 GLY HN . 51324 2 222 . 1 . 1 52 52 GLY C C 13 174.170 0.01 . 1 . . . . . 52 GLY CO . 51324 2 223 . 1 . 1 52 52 GLY CA C 13 45.100 0.10 . 1 . . . . . 52 GLY CA . 51324 2 224 . 1 . 1 52 52 GLY N N 15 108.750 0.10 . 1 . . . . . 52 GLY N . 51324 2 225 . 1 . 1 53 53 ALA H H 1 8.410 0.01 . 1 . . . . . 53 ALA HN . 51324 2 226 . 1 . 1 53 53 ALA C C 13 178.240 0.01 . 1 . . . . . 53 ALA CO . 51324 2 227 . 1 . 1 53 53 ALA CA C 13 52.620 0.10 . 1 . . . . . 53 ALA CA . 51324 2 228 . 1 . 1 53 53 ALA CB C 13 19.200 0.10 . 1 . . . . . 53 ALA CB . 51324 2 229 . 1 . 1 53 53 ALA N N 15 124.050 0.10 . 1 . . . . . 53 ALA N . 51324 2 230 . 1 . 1 54 54 SER H H 1 8.520 0.01 . 1 . . . . . 54 SER HN . 51324 2 231 . 1 . 1 54 54 SER C C 13 175.270 0.10 . 1 . . . . . 54 SER CO . 51324 2 232 . 1 . 1 54 54 SER CA C 13 58.570 0.10 . 1 . . . . . 54 SER CA . 51324 2 233 . 1 . 1 54 54 SER CB C 13 63.770 0.10 . 1 . . . . . 54 SER CB . 51324 2 234 . 1 . 1 54 54 SER N N 15 115.330 0.10 . 1 . . . . . 54 SER N . 51324 2 235 . 1 . 1 55 55 GLY H H 1 8.520 0.01 . 1 . . . . . 55 GLY HN . 51324 2 236 . 1 . 1 55 55 GLY CA C 13 45.390 0.10 . 1 . . . . . 55 GLY CA . 51324 2 237 . 1 . 1 55 55 GLY N N 15 110.830 0.10 . 1 . . . . . 55 GLY N . 51324 2 238 . 1 . 1 56 56 GLY H H 1 8.460 0.01 . 1 . . . . . 56 GLY HN . 51324 2 239 . 1 . 1 56 56 GLY C C 13 174.587 0.01 . 1 . . . . . 56 GLY CO . 51324 2 240 . 1 . 1 56 56 GLY CA C 13 45.050 0.10 . 1 . . . . . 56 GLY CA . 51324 2 241 . 1 . 1 56 56 GLY N N 15 108.930 0.10 . 1 . . . . . 56 GLY N . 51324 2 242 . 1 . 1 57 57 THR H H 1 8.320 0.01 . 1 . . . . . 57 THR HN . 51324 2 243 . 1 . 1 57 57 THR C C 13 174.630 0.01 . 1 . . . . . 57 THR CO . 51324 2 244 . 1 . 1 57 57 THR CA C 13 61.910 0.10 . 1 . . . . . 57 THR CA . 51324 2 245 . 1 . 1 57 57 THR CB C 13 69.810 0.10 . 1 . . . . . 57 THR CB . 51324 2 246 . 1 . 1 57 57 THR N N 15 112.840 0.10 . 1 . . . . . 57 THR N . 51324 2 247 . 1 . 1 58 58 GLY H H 1 8.600 0.01 . 1 . . . . . 58 GLY HN . 51324 2 248 . 1 . 1 58 58 GLY C C 13 174.420 0.01 . 1 . . . . . 58 GLY CO . 51324 2 249 . 1 . 1 58 58 GLY CA C 13 45.180 0.10 . 1 . . . . . 58 GLY CA . 51324 2 250 . 1 . 1 58 58 GLY N N 15 111.381 0.10 . 1 . . . . . 58 GLY N . 51324 2 251 . 1 . 1 59 59 VAL H H 1 8.230 0.01 . 1 . . . . . 59 VAL HN . 51324 2 252 . 1 . 1 59 59 VAL C C 13 177.240 0.01 . 1 . . . . . 59 VAL CO . 51324 2 253 . 1 . 1 59 59 VAL CA C 13 62.760 0.10 . 1 . . . . . 59 VAL CA . 51324 2 254 . 1 . 1 59 59 VAL N N 15 119.420 0.10 . 1 . . . . . 59 VAL N . 51324 2 255 . 1 . 1 60 60 GLY H H 1 8.600 0.01 . 1 . . . . . 60 GLY HN . 51324 2 256 . 1 . 1 60 60 GLY CA C 13 45.397 0.10 . 1 . . . . . 60 GLY CA . 51324 2 257 . 1 . 1 60 60 GLY N N 15 111.430 0.10 . 1 . . . . . 60 GLY N . 51324 2 258 . 1 . 1 61 61 GLY C C 13 174.590 0.01 . 1 . . . . . 61 GLY CO . 51324 2 259 . 1 . 1 61 61 GLY CA C 13 45.250 0.10 . 1 . . . . . 61 GLY CA . 51324 2 260 . 1 . 1 62 62 ARG H H 1 8.420 0.01 . 1 . . . . . 62 ARG HN . 51324 2 261 . 1 . 1 62 62 ARG C C 13 177.200 0.01 . 1 . . . . . 62 ARG CO . 51324 2 262 . 1 . 1 62 62 ARG CA C 13 56.271 0.10 . 1 . . . . . 62 ARG CA . 51324 2 263 . 1 . 1 62 62 ARG CB C 13 30.620 0.10 . 1 . . . . . 62 ARG CB . 51324 2 264 . 1 . 1 62 62 ARG N N 15 120.460 0.10 . 1 . . . . . 62 ARG N . 51324 2 265 . 1 . 1 63 63 GLY H H 1 8.670 0.01 . 1 . . . . . 63 GLY HN . 51324 2 266 . 1 . 1 63 63 GLY C C 13 174.730 0.01 . 1 . . . . . 63 GLY CO . 51324 2 267 . 1 . 1 63 63 GLY CA C 13 45.300 0.10 . 1 . . . . . 63 GLY CA . 51324 2 268 . 1 . 1 63 63 GLY N N 15 110.080 0.10 . 1 . . . . . 63 GLY N . 51324 2 269 . 1 . 1 64 64 GLY H H 1 8.400 0.01 . 1 . . . . . 64 GLY HN . 51324 2 270 . 1 . 1 64 64 GLY C C 13 174.720 0.01 . 1 . . . . . 64 GLY CO . 51324 2 271 . 1 . 1 64 64 GLY CA C 13 45.103 0.10 . 1 . . . . . 64 GLY CA . 51324 2 272 . 1 . 1 64 64 GLY N N 15 108.980 0.10 . 1 . . . . . 64 GLY N . 51324 2 273 . 1 . 1 65 65 LYS H H 1 8.460 0.01 . 1 . . . . . 65 LYS HN . 51324 2 274 . 1 . 1 65 65 LYS C C 13 177.490 0.01 . 1 . . . . . 65 LYS CO . 51324 2 275 . 1 . 1 65 65 LYS CA C 13 56.500 0.10 . 1 . . . . . 65 LYS CA . 51324 2 276 . 1 . 1 65 65 LYS CB C 13 32.870 0.10 . 1 . . . . . 65 LYS CB . 51324 2 277 . 1 . 1 65 65 LYS N N 15 120.970 0.10 . 1 . . . . . 65 LYS N . 51324 2 278 . 1 . 1 66 66 GLY H H 1 8.690 0.01 . 1 . . . . . 66 GLY HN . 51324 2 279 . 1 . 1 66 66 GLY C C 13 174.720 0.01 . 1 . . . . . 66 GLY CO . 51324 2 280 . 1 . 1 66 66 GLY CA C 13 45.290 0.10 . 1 . . . . . 66 GLY CA . 51324 2 281 . 1 . 1 66 66 GLY N N 15 110.430 0.10 . 1 . . . . . 66 GLY N . 51324 2 282 . 1 . 1 67 67 GLY H H 1 8.400 0.01 . 1 . . . . . 67 GLY HN . 51324 2 283 . 1 . 1 67 67 GLY C C 13 174.480 0.01 . 1 . . . . . 67 GLY CO . 51324 2 284 . 1 . 1 67 67 GLY CA C 13 45.100 0.10 . 1 . . . . . 67 GLY CA . 51324 2 285 . 1 . 1 67 67 GLY N N 15 108.760 0.10 . 1 . . . . . 67 GLY N . 51324 2 286 . 1 . 1 68 68 SER H H 1 8.510 0.01 . 1 . . . . . 68 SER HN . 51324 2 287 . 1 . 1 68 68 SER C C 13 175.160 0.01 . 1 . . . . . 68 SER CO . 51324 2 288 . 1 . 1 68 68 SER CA C 13 58.610 0.10 . 1 . . . . . 68 SER CA . 51324 2 289 . 1 . 1 68 68 SER CB C 13 63.810 0.10 . 1 . . . . . 68 SER CB . 51324 2 290 . 1 . 1 68 68 SER N N 15 115.800 0.10 . 1 . . . . . 68 SER N . 51324 2 291 . 1 . 1 69 69 GLY H H 1 8.640 0.01 . 1 . . . . . 69 GLY HN . 51324 2 292 . 1 . 1 69 69 GLY C C 13 173.950 0.01 . 1 . . . . . 69 GLY CO . 51324 2 293 . 1 . 1 69 69 GLY CA C 13 45.040 0.10 . 1 . . . . . 69 GLY CA . 51324 2 294 . 1 . 1 69 69 GLY N N 15 110.080 0.10 . 1 . . . . . 69 GLY N . 51324 2 295 . 1 . 1 70 70 THR H H 1 8.103 0.01 . 1 . . . . . 70 THR HN . 51324 2 296 . 1 . 1 70 70 THR C C 13 172.960 0.01 . 1 . . . . . 70 THR CO . 51324 2 297 . 1 . 1 70 70 THR N N 15 116.602 0.10 . 1 . . . . . 70 THR N . 51324 2 298 . 1 . 1 71 71 PRO C C 13 176.889 0.01 . 1 . . . . . 71 PRO CO . 51324 2 299 . 1 . 1 71 71 PRO CA C 13 63.242 0.10 . 1 . . . . . 71 PRO CA . 51324 2 300 . 1 . 1 71 71 PRO CB C 13 32.249 0.10 . 1 . . . . . 71 PRO CB . 51324 2 301 . 1 . 1 71 71 PRO N N 15 139.500 0.10 . 1 . . . . . 71 PRO N . 51324 2 302 . 1 . 1 72 72 LYS H H 1 8.461 0.01 . 1 . . . . . 72 LYS HN . 51324 2 303 . 1 . 1 72 72 LYS C C 13 177.270 0.01 . 1 . . . . . 72 LYS CO . 51324 2 304 . 1 . 1 72 72 LYS CA C 13 56.420 0.10 . 1 . . . . . 72 LYS CA . 51324 2 305 . 1 . 1 72 72 LYS CB C 13 33.185 0.10 . 1 . . . . . 72 LYS CB . 51324 2 306 . 1 . 1 72 72 LYS N N 15 121.970 0.10 . 1 . . . . . 72 LYS N . 51324 2 307 . 1 . 1 73 73 GLY H H 1 8.447 0.01 . 1 . . . . . 73 GLY HN . 51324 2 308 . 1 . 1 73 73 GLY C C 13 174.030 0.01 . 1 . . . . . 73 GLY CO . 51324 2 309 . 1 . 1 73 73 GLY CA C 13 45.245 0.10 . 1 . . . . . 73 GLY CA . 51324 2 310 . 1 . 1 73 73 GLY N N 15 110.533 0.10 . 1 . . . . . 73 GLY N . 51324 2 311 . 1 . 1 74 74 ALA H H 1 8.279 0.01 . 1 . . . . . 74 ALA HN . 51324 2 312 . 1 . 1 74 74 ALA C C 13 177.725 0.01 . 1 . . . . . 74 ALA CO . 51324 2 313 . 1 . 1 74 74 ALA CA C 13 52.590 0.10 . 1 . . . . . 74 ALA CA . 51324 2 314 . 1 . 1 74 74 ALA CB C 13 19.270 0.10 . 1 . . . . . 74 ALA CB . 51324 2 315 . 1 . 1 74 74 ALA N N 15 123.921 0.10 . 1 . . . . . 74 ALA N . 51324 2 316 . 1 . 1 75 75 ASP H H 1 8.390 0.01 . 1 . . . . . 75 ASP HN . 51324 2 317 . 1 . 1 75 75 ASP C C 13 176.640 0.01 . 1 . . . . . 75 ASP CO . 51324 2 318 . 1 . 1 75 75 ASP CA C 13 54.320 0.10 . 1 . . . . . 75 ASP CA . 51324 2 319 . 1 . 1 75 75 ASP CB C 13 40.830 0.10 . 1 . . . . . 75 ASP CB . 51324 2 320 . 1 . 1 75 75 ASP N N 15 119.117 0.10 . 1 . . . . . 75 ASP N . 51324 2 321 . 1 . 1 76 76 GLY H H 1 8.270 0.01 . 1 . . . . . 76 GLY HN . 51324 2 322 . 1 . 1 76 76 GLY C C 13 173.536 0.01 . 1 . . . . . 76 GLY CO . 51324 2 323 . 1 . 1 76 76 GLY CA C 13 45.078 0.10 . 1 . . . . . 76 GLY CA . 51324 2 324 . 1 . 1 76 76 GLY N N 15 109.070 0.10 . 1 . . . . . 76 GLY N . 51324 2 325 . 1 . 1 77 77 ALA H H 1 8.204 0.01 . 1 . . . . . 77 ALA HN . 51324 2 326 . 1 . 1 77 77 ALA C C 13 175.630 0.01 . 1 . . . . . 77 ALA CO . 51324 2 327 . 1 . 1 77 77 ALA CA C 13 50.550 0.10 . 1 . . . . . 77 ALA CA . 51324 2 328 . 1 . 1 77 77 ALA N N 15 125.090 0.10 . 1 . . . . . 77 ALA N . 51324 2 329 . 1 . 1 78 78 PRO C C 13 177.678 0.01 . 1 . . . . . 78 PRO CO . 51324 2 330 . 1 . 1 78 78 PRO CA C 13 63.370 0.10 . 1 . . . . . 78 PRO CA . 51324 2 331 . 1 . 1 78 78 PRO CB C 13 32.010 0.10 . 1 . . . . . 78 PRO CB . 51324 2 332 . 1 . 1 78 78 PRO N N 15 135.914 0.10 . 1 . . . . . 78 PRO N . 51324 2 333 . 1 . 1 79 79 GLY H H 1 8.630 0.01 . 1 . . . . . 79 GLY HN . 51324 2 334 . 1 . 1 79 79 GLY C C 13 173.310 0.01 . 1 . . . . . 79 GLY CO . 51324 2 335 . 1 . 1 79 79 GLY CA C 13 44.890 0.10 . 1 . . . . . 79 GLY CA . 51324 2 336 . 1 . 1 79 79 GLY N N 15 110.030 0.10 . 1 . . . . . 79 GLY N . 51324 2 337 . 1 . 1 80 80 ALA H H 1 8.196 0.01 . 1 . . . . . 80 ALA HN . 51324 2 338 . 1 . 1 80 80 ALA C C 13 174.790 0.01 . 1 . . . . . 80 ALA CO . 51324 2 339 . 1 . 1 80 80 ALA CA C 13 50.360 0.10 . 1 . . . . . 80 ALA CA . 51324 2 340 . 1 . 1 80 80 ALA N N 15 125.580 0.10 . 1 . . . . . 80 ALA N . 51324 2 341 . 1 . 1 81 81 PRO N N 15 140.295 0.10 . 1 . . . . . 81 PRO N . 51324 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51324 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'sfAFP reduced unfolded pH 3, 5oC' _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 51324 3 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 2 $software_2 . . 51324 3 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 2 2 LYS H H 1 8.450 0.01 . 1 . . . . . 2 LYS HN . 51324 3 2 . 1 . 1 2 2 LYS N N 15 123.500 0.10 . 1 . . . . . 2 LYS N . 51324 3 3 . 1 . 1 3 3 GLY H H 1 8.510 0.01 . 1 . . . . . 3 GLY HN . 51324 3 4 . 1 . 1 3 3 GLY N N 15 110.100 0.10 . 1 . . . . . 3 GLY N . 51324 3 5 . 1 . 1 4 4 ALA H H 1 8.360 0.01 . 1 . . . . . 4 ALA HN . 51324 3 6 . 1 . 1 4 4 ALA N N 15 123.900 0.10 . 1 . . . . . 4 ALA N . 51324 3 7 . 1 . 1 5 5 ASP H H 1 8.510 0.01 . 1 . . . . . 5 ASP HN . 51324 3 8 . 1 . 1 5 5 ASP N N 15 119.170 0.10 . 1 . . . . . 5 ASP N . 51324 3 9 . 1 . 1 6 6 GLY H H 1 8.390 0.01 . 1 . . . . . 6 GLY HN . 51324 3 10 . 1 . 1 6 6 GLY N N 15 109.150 0.10 . 1 . . . . . 6 GLY N . 51324 3 11 . 1 . 1 7 7 ALA H H 1 8.210 0.01 . 1 . . . . . 7 ALA HN . 51324 3 12 . 1 . 1 7 7 ALA N N 15 123.100 0.10 . 1 . . . . . 7 ALA N . 51324 3 13 . 1 . 1 8 8 HIS H H 1 8.580 0.01 . 1 . . . . . 8 HIS HN . 51324 3 14 . 1 . 1 8 8 HIS N N 15 117.100 0.10 . 1 . . . . . 8 HIS N . 51324 3 15 . 1 . 1 9 9 GLY H H 1 8.470 0.01 . 1 . . . . . 9 GLY HN . 51324 3 16 . 1 . 1 9 9 GLY N N 15 109.700 0.10 . 1 . . . . . 9 GLY N . 51324 3 17 . 1 . 1 10 10 VAL H H 1 8.290 0.01 . 1 . . . . . 10 VAL HN . 51324 3 18 . 1 . 1 10 10 VAL N N 15 119.300 0.10 . 1 . . . . . 10 VAL N . 51324 3 19 . 1 . 1 11 11 ASN H H 1 8.750 0.01 . 1 . . . . . 11 ASN HN . 51324 3 20 . 1 . 1 11 11 ASN N N 15 122.200 0.10 . 1 . . . . . 11 ASN N . 51324 3 21 . 1 . 1 12 12 GLY H H 1 8.470 0.01 . 1 . . . . . 12 GLY HN . 51324 3 22 . 1 . 1 12 12 GLY N N 15 109.210 0.10 . 1 . . . . . 12 GLY N . 51324 3 23 . 1 . 1 13 13 CYS H H 1 8.320 0.01 . 1 . . . . . 13 CYS HN . 51324 3 24 . 1 . 1 13 13 CYS N N 15 120.200 0.10 . 1 . . . . . 13 CYS N . 51324 3 25 . 1 . 1 15 15 GLY H H 1 8.610 0.01 . 1 . . . . . 15 GLY HN . 51324 3 26 . 1 . 1 15 15 GLY N N 15 109.300 0.10 . 1 . . . . . 15 GLY N . 51324 3 27 . 1 . 1 16 16 THR H H 1 8.140 0.01 . 1 . . . . . 16 THR HN . 51324 3 28 . 1 . 1 16 16 THR N N 15 113.400 0.10 . 1 . . . . . 16 THR N . 51324 3 29 . 1 . 1 17 17 ALA H H 1 8.470 0.01 . 1 . . . . . 17 ALA HN . 51324 3 30 . 1 . 1 17 17 ALA N N 15 126.700 0.10 . 1 . . . . . 17 ALA N . 51324 3 31 . 1 . 1 19 19 ALA H H 1 8.250 0.01 . 1 . . . . . 19 ALA HN . 51324 3 32 . 1 . 1 19 19 ALA N N 15 123.600 0.10 . 1 . . . . . 19 ALA N . 51324 3 33 . 1 . 1 20 20 ALA H H 1 8.530 0.01 . 1 . . . . . 20 ALA HN . 51324 3 34 . 1 . 1 20 20 ALA N N 15 123.600 0.10 . 1 . . . . . 20 ALA N . 51324 3 35 . 1 . 1 22 22 SER H H 1 8.264 0.01 . 1 . . . . . 22 SER HN . 51324 3 36 . 1 . 1 22 22 SER N N 15 115.600 0.10 . 1 . . . . . 22 SER N . 51324 3 37 . 1 . 1 24 24 GLY H H 1 8.600 0.01 . 1 . . . . . 24 GLY HN . 51324 3 38 . 1 . 1 24 24 GLY N N 15 112.500 0.10 . 1 . . . . . 24 GLY N . 51324 3 39 . 1 . 1 25 25 GLY H H 1 8.260 0.00 . 1 . . . . . 25 GLY HN . 51324 3 40 . 1 . 1 25 25 GLY N N 15 108.800 0.01 . 1 . . . . . 25 GLY N . 51324 3 41 . 1 . 1 27 27 GLY H H 1 8.760 0.01 . 1 . . . . . 27 GLY HN . 51324 3 42 . 1 . 1 27 27 GLY N N 15 109.800 0.10 . 1 . . . . . 27 GLY N . 51324 3 43 . 1 . 1 28 28 CYS H H 1 8.280 0.01 . 1 . . . . . 28 CYS HN . 51324 3 44 . 1 . 1 28 28 CYS N N 15 118.500 0.10 . 1 . . . . . 28 CYS N . 51324 3 45 . 1 . 1 29 29 ASP H H 1 8.620 0.01 . 1 . . . . . 29 ASP HN . 51324 3 46 . 1 . 1 29 29 ASP N N 15 122.400 0.10 . 1 . . . . . 29 ASP N . 51324 3 47 . 1 . 1 31 31 GLY H H 1 8.410 0.01 . 1 . . . . . 31 GLY HN . 51324 3 48 . 1 . 1 31 31 GLY N N 15 108.100 0.10 . 1 . . . . . 31 GLY N . 51324 3 49 . 1 . 1 32 32 HIS H H 1 8.490 0.01 . 1 . . . . . 32 HIS HN . 51324 3 50 . 1 . 1 32 32 HIS N N 15 117.600 0.10 . 1 . . . . . 32 HIS N . 51324 3 51 . 1 . 1 33 33 GLY H H 1 8.680 0.01 . 1 . . . . . 33 GLY HN . 51324 3 52 . 1 . 1 33 33 GLY N N 15 109.730 0.10 . 1 . . . . . 33 GLY N . 51324 3 53 . 1 . 1 35 35 ASN H H 1 8.600 0.01 . 1 . . . . . 35 ASN HN . 51324 3 54 . 1 . 1 35 35 ASN N N 15 118.550 0.10 . 1 . . . . . 35 ASN N . 51324 3 55 . 1 . 1 36 36 GLY H H 1 8.670 0.01 . 1 . . . . . 36 GLY HN . 51324 3 56 . 1 . 1 36 36 GLY N N 15 109.480 0.10 . 1 . . . . . 36 GLY N . 51324 3 57 . 1 . 1 39 39 GLY H H 1 8.551 0.01 . 1 . . . . . 39 GLY HN . 51324 3 58 . 1 . 1 39 39 GLY N N 15 108.960 0.10 . 1 . . . . . 39 GLY N . 51324 3 59 . 1 . 1 40 40 ASN H H 1 8.395 0.01 . 1 . . . . . 40 ASN HN . 51324 3 60 . 1 . 1 40 40 ASN N N 15 119.240 0.10 . 1 . . . . . 40 ASN N . 51324 3 61 . 1 . 1 42 42 GLY H H 1 8.610 0.01 . 1 . . . . . 42 GLY HN . 51324 3 62 . 1 . 1 42 42 GLY N N 15 108.860 0.10 . 1 . . . . . 42 GLY N . 51324 3 63 . 1 . 1 43 43 CYS H H 1 8.220 0.01 . 1 . . . . . 43 CYS HN . 51324 3 64 . 1 . 1 43 43 CYS N N 15 118.540 0.10 . 1 . . . . . 43 CYS N . 51324 3 65 . 1 . 1 44 44 ALA H H 1 8.641 0.01 . 1 . . . . . 44 ALA HN . 51324 3 66 . 1 . 1 44 44 ALA N N 15 126.790 0.10 . 1 . . . . . 44 ALA N . 51324 3 67 . 1 . 1 45 45 GLY H H 1 8.540 0.01 . 1 . . . . . 45 GLY HN . 51324 3 68 . 1 . 1 45 45 GLY N N 15 108.410 0.10 . 1 . . . . . 45 GLY N . 51324 3 69 . 1 . 1 46 46 GLY H H 1 8.310 0.01 . 1 . . . . . 46 GLY HN . 51324 3 70 . 1 . 1 46 46 GLY N N 15 108.580 0.10 . 1 . . . . . 46 GLY N . 51324 3 71 . 1 . 1 47 47 VAL H H 1 8.270 0.01 . 1 . . . . . 47 VAL HN . 51324 3 72 . 1 . 1 47 47 VAL N N 15 119.080 0.10 . 1 . . . . . 47 VAL N . 51324 3 73 . 1 . 1 48 48 GLY H H 1 8.740 0.01 . 1 . . . . . 48 GLY HN . 51324 3 74 . 1 . 1 48 48 GLY N N 15 112.690 0.10 . 1 . . . . . 48 GLY N . 51324 3 75 . 1 . 1 49 49 GLY H H 1 8.340 0.01 . 1 . . . . . 49 GLY HN . 51324 3 76 . 1 . 1 49 49 GLY N N 15 108.711 0.10 . 1 . . . . . 49 GLY N . 51324 3 77 . 1 . 1 50 50 ALA H H 1 8.430 0.01 . 1 . . . . . 50 ALA HN . 51324 3 78 . 1 . 1 50 50 ALA N N 15 123.770 0.10 . 1 . . . . . 50 ALA N . 51324 3 79 . 1 . 1 51 51 GLY H H 1 8.606 0.01 . 1 . . . . . 51 GLY HN . 51324 3 80 . 1 . 1 51 51 GLY N N 15 108.230 0.10 . 1 . . . . . 51 GLY N . 51324 3 81 . 1 . 1 52 52 GLY H H 1 8.312 0.01 . 1 . . . . . 52 GLY HN . 51324 3 82 . 1 . 1 52 52 GLY N N 15 108.580 0.10 . 1 . . . . . 52 GLY N . 51324 3 83 . 1 . 1 53 53 ALA H H 1 8.400 0.10 . 1 . . . . . 53 ALA HN . 51324 3 84 . 1 . 1 53 53 ALA N N 15 123.992 0.10 . 1 . . . . . 53 ALA N . 51324 3 85 . 1 . 1 54 54 SER H H 1 8.580 0.01 . 1 . . . . . 54 SER HN . 51324 3 86 . 1 . 1 54 54 SER N N 15 115.160 0.10 . 1 . . . . . 54 SER N . 51324 3 87 . 1 . 1 55 55 GLY H H 1 8.510 0.01 . 1 . . . . . 55 GLY HN . 51324 3 88 . 1 . 1 55 55 GLY N N 15 110.540 0.10 . 1 . . . . . 55 GLY N . 51324 3 89 . 1 . 1 56 56 GLY H H 1 8.450 0.01 . 1 . . . . . 56 GLY HN . 51324 3 90 . 1 . 1 56 56 GLY N N 15 108.660 0.10 . 1 . . . . . 56 GLY N . 51324 3 91 . 1 . 1 57 57 THR H H 1 8.130 0.01 . 1 . . . . . 57 THR HN . 51324 3 92 . 1 . 1 57 57 THR N N 15 112.670 0.10 . 1 . . . . . 57 THR N . 51324 3 93 . 1 . 1 58 58 GLY H H 1 8.600 0.01 . 1 . . . . . 58 GLY HN . 51324 3 94 . 1 . 1 58 58 GLY N N 15 111.200 0.10 . 1 . . . . . 58 GLY N . 51324 3 95 . 1 . 1 59 59 VAL H H 1 8.220 0.01 . 1 . . . . . 59 VAL HN . 51324 3 96 . 1 . 1 59 59 VAL N N 15 119.240 0.10 . 1 . . . . . 59 VAL N . 51324 3 97 . 1 . 1 60 60 GLY H H 1 8.750 0.01 . 1 . . . . . 60 GLY HN . 51324 3 98 . 1 . 1 60 60 GLY N N 15 112.710 0.10 . 1 . . . . . 60 GLY N . 51324 3 99 . 1 . 1 62 62 ARG H H 1 8.410 0.01 . 1 . . . . . 62 ARG HN . 51324 3 100 . 1 . 1 62 62 ARG N N 15 120.300 0.10 . 1 . . . . . 62 ARG N . 51324 3 101 . 1 . 1 63 63 GLY H H 1 8.660 0.01 . 1 . . . . . 63 GLY HN . 51324 3 102 . 1 . 1 63 63 GLY N N 15 109.900 0.10 . 1 . . . . . 63 GLY N . 51324 3 103 . 1 . 1 65 65 LYS H H 1 8.450 0.01 . 1 . . . . . 65 LYS HN . 51324 3 104 . 1 . 1 65 65 LYS N N 15 120.790 0.10 . 1 . . . . . 65 LYS N . 51324 3 105 . 1 . 1 66 66 GLY H H 1 8.680 0.01 . 1 . . . . . 66 GLY HN . 51324 3 106 . 1 . 1 66 66 GLY N N 15 110.240 0.10 . 1 . . . . . 66 GLY N . 51324 3 107 . 1 . 1 67 67 GLY H H 1 8.390 0.01 . 1 . . . . . 67 GLY HN . 51324 3 108 . 1 . 1 67 67 GLY N N 15 108.780 0.10 . 1 . . . . . 67 GLY N . 51324 3 109 . 1 . 1 68 68 SER H H 1 8.500 0.01 . 1 . . . . . 68 SER HN . 51324 3 110 . 1 . 1 68 68 SER N N 15 115.620 0.10 . 1 . . . . . 68 SER N . 51324 3 111 . 1 . 1 69 69 GLY H H 1 8.637 0.01 . 1 . . . . . 69 GLY HN . 51324 3 112 . 1 . 1 69 69 GLY N N 15 110.890 0.10 . 1 . . . . . 69 GLY N . 51324 3 113 . 1 . 1 70 70 THR H H 1 8.240 0.01 . 1 . . . . . 70 THR HN . 51324 3 114 . 1 . 1 70 70 THR N N 15 116.830 0.10 . 1 . . . . . 70 THR N . 51324 3 115 . 1 . 1 72 72 LYS H H 1 8.631 0.01 . 1 . . . . . 72 LYS HN . 51324 3 116 . 1 . 1 72 72 LYS N N 15 122.210 0.10 . 1 . . . . . 72 LYS N . 51324 3 117 . 1 . 1 73 73 GLY H H 1 8.447 0.01 . 1 . . . . . 73 GLY HN . 51324 3 118 . 1 . 1 73 73 GLY N N 15 110.533 0.10 . 1 . . . . . 73 GLY N . 51324 3 119 . 1 . 1 74 74 ALA H H 1 8.279 0.01 . 1 . . . . . 74 ALA HN . 51324 3 120 . 1 . 1 74 74 ALA N N 15 123.921 0.10 . 1 . . . . . 74 ALA N . 51324 3 121 . 1 . 1 75 75 ASP H H 1 8.390 0.01 . 1 . . . . . 75 ASP HN . 51324 3 122 . 1 . 1 75 75 ASP N N 15 119.117 0.10 . 1 . . . . . 75 ASP N . 51324 3 123 . 1 . 1 76 76 GLY H H 1 8.270 0.01 . 1 . . . . . 76 GLY HN . 51324 3 124 . 1 . 1 76 76 GLY N N 15 109.070 0.10 . 1 . . . . . 76 GLY N . 51324 3 125 . 1 . 1 77 77 ALA H H 1 8.200 0.01 . 1 . . . . . 77 ALA HN . 51324 3 126 . 1 . 1 77 77 ALA N N 15 124.900 0.10 . 1 . . . . . 77 ALA N . 51324 3 127 . 1 . 1 79 79 GLY H H 1 8.640 0.01 . 1 . . . . . 79 GLY HN . 51324 3 128 . 1 . 1 79 79 GLY N N 15 109.840 0.10 . 1 . . . . . 79 GLY N . 51324 3 129 . 1 . 1 80 80 ALA H H 1 8.190 0.01 . 1 . . . . . 80 ALA HN . 51324 3 130 . 1 . 1 80 80 ALA N N 15 125.380 0.10 . 1 . . . . . 80 ALA N . 51324 3 stop_ save_