data_50650 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50650 _Entry.Title ; human Angiogenin pH 6.3 35oC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-15 _Entry.Accession_date 2020-12-15 _Entry.Last_release_date 2020-12-15 _Entry.Original_release_date 2020-12-15 _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 'human Angiogenin pH 6.3 35oC. 50 mM NaH2PO4 / Na2HPO4 buffer 35oC' _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 Andrea Fagagnini . . . . 50650 2 Giovanni Gotte . . . . 50650 3 Douglas Laurents . . . . 50650 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50650 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 50650 '15N chemical shifts' 100 50650 '1H chemical shifts' 187 50650 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-03-15 . original BMRB . 50650 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26748 'Met-1 Human Angiogenin' 50650 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50650 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33535464 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR Characterization of Angiogenin Variants and tRNA Ala Products Impacting Aberrant Protein Oligomerization ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1439 _Citation.Page_last 1439 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrea Fagagnini . . . . 50650 1 2 Miguel Garavis . . . . 50650 1 3 Irene Gomez-Pinto I. . . . 50650 1 4 Sabrina Fasoli . . . . 50650 1 5 Giovanni Gotte . . . . 50650 1 6 Douglas Laurents . . . . 50650 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Angiogenin, tRNA, ALS, stress granules, NMR spectroscopy' 50650 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50650 _Assembly.ID 1 _Assembly.Name 'human Angiogenin monomer' _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 14143 _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 'human Angiogenin monomer' 1 $entity_1 . . yes native no no . . . 50650 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50650 _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 ; QDNSRYTHFLTQHYDAKPQG RDDRYCESIMRRRGLTSPCK DINTFIHGNKRSIKAICENK NGNPHRENLRISKSSFQVTT CKLHGGSPWPPCQYRATAGF RNVVVACENGLPVHLDQSIF RRP ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Ribonucleolytic cleavage of specific rRNAs and tRNAs to regulate ribosome synthesis, new blood vessel formation and healthy stress granule response ; 50650 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 . GLN . 50650 1 2 . ASP . 50650 1 3 . ASN . 50650 1 4 . SER . 50650 1 5 . ARG . 50650 1 6 . TYR . 50650 1 7 . THR . 50650 1 8 . HIS . 50650 1 9 . PHE . 50650 1 10 . LEU . 50650 1 11 . THR . 50650 1 12 . GLN . 50650 1 13 . HIS . 50650 1 14 . TYR . 50650 1 15 . ASP . 50650 1 16 . ALA . 50650 1 17 . LYS . 50650 1 18 . PRO . 50650 1 19 . GLN . 50650 1 20 . GLY . 50650 1 21 . ARG . 50650 1 22 . ASP . 50650 1 23 . ASP . 50650 1 24 . ARG . 50650 1 25 . TYR . 50650 1 26 . CYS . 50650 1 27 . GLU . 50650 1 28 . SER . 50650 1 29 . ILE . 50650 1 30 . MET . 50650 1 31 . ARG . 50650 1 32 . ARG . 50650 1 33 . ARG . 50650 1 34 . GLY . 50650 1 35 . LEU . 50650 1 36 . THR . 50650 1 37 . SER . 50650 1 38 . PRO . 50650 1 39 . CYS . 50650 1 40 . LYS . 50650 1 41 . ASP . 50650 1 42 . ILE . 50650 1 43 . ASN . 50650 1 44 . THR . 50650 1 45 . PHE . 50650 1 46 . ILE . 50650 1 47 . HIS . 50650 1 48 . GLY . 50650 1 49 . ASN . 50650 1 50 . LYS . 50650 1 51 . ARG . 50650 1 52 . SER . 50650 1 53 . ILE . 50650 1 54 . LYS . 50650 1 55 . ALA . 50650 1 56 . ILE . 50650 1 57 . CYS . 50650 1 58 . GLU . 50650 1 59 . ASN . 50650 1 60 . LYS . 50650 1 61 . ASN . 50650 1 62 . GLY . 50650 1 63 . ASN . 50650 1 64 . PRO . 50650 1 65 . HIS . 50650 1 66 . ARG . 50650 1 67 . GLU . 50650 1 68 . ASN . 50650 1 69 . LEU . 50650 1 70 . ARG . 50650 1 71 . ILE . 50650 1 72 . SER . 50650 1 73 . LYS . 50650 1 74 . SER . 50650 1 75 . SER . 50650 1 76 . PHE . 50650 1 77 . GLN . 50650 1 78 . VAL . 50650 1 79 . THR . 50650 1 80 . THR . 50650 1 81 . CYS . 50650 1 82 . LYS . 50650 1 83 . LEU . 50650 1 84 . HIS . 50650 1 85 . GLY . 50650 1 86 . GLY . 50650 1 87 . SER . 50650 1 88 . PRO . 50650 1 89 . TRP . 50650 1 90 . PRO . 50650 1 91 . PRO . 50650 1 92 . CYS . 50650 1 93 . GLN . 50650 1 94 . TYR . 50650 1 95 . ARG . 50650 1 96 . ALA . 50650 1 97 . THR . 50650 1 98 . ALA . 50650 1 99 . GLY . 50650 1 100 . PHE . 50650 1 101 . ARG . 50650 1 102 . ASN . 50650 1 103 . VAL . 50650 1 104 . VAL . 50650 1 105 . VAL . 50650 1 106 . ALA . 50650 1 107 . CYS . 50650 1 108 . GLU . 50650 1 109 . ASN . 50650 1 110 . GLY . 50650 1 111 . LEU . 50650 1 112 . PRO . 50650 1 113 . VAL . 50650 1 114 . HIS . 50650 1 115 . LEU . 50650 1 116 . ASP . 50650 1 117 . GLN . 50650 1 118 . SER . 50650 1 119 . ILE . 50650 1 120 . PHE . 50650 1 121 . ARG . 50650 1 122 . ARG . 50650 1 123 . PRO . 50650 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 . GLN 1 1 50650 1 . ASP 2 2 50650 1 . ASN 3 3 50650 1 . SER 4 4 50650 1 . ARG 5 5 50650 1 . TYR 6 6 50650 1 . THR 7 7 50650 1 . HIS 8 8 50650 1 . PHE 9 9 50650 1 . LEU 10 10 50650 1 . THR 11 11 50650 1 . GLN 12 12 50650 1 . HIS 13 13 50650 1 . TYR 14 14 50650 1 . ASP 15 15 50650 1 . ALA 16 16 50650 1 . LYS 17 17 50650 1 . PRO 18 18 50650 1 . GLN 19 19 50650 1 . GLY 20 20 50650 1 . ARG 21 21 50650 1 . ASP 22 22 50650 1 . ASP 23 23 50650 1 . ARG 24 24 50650 1 . TYR 25 25 50650 1 . CYS 26 26 50650 1 . GLU 27 27 50650 1 . SER 28 28 50650 1 . ILE 29 29 50650 1 . MET 30 30 50650 1 . ARG 31 31 50650 1 . ARG 32 32 50650 1 . ARG 33 33 50650 1 . GLY 34 34 50650 1 . LEU 35 35 50650 1 . THR 36 36 50650 1 . SER 37 37 50650 1 . PRO 38 38 50650 1 . CYS 39 39 50650 1 . LYS 40 40 50650 1 . ASP 41 41 50650 1 . ILE 42 42 50650 1 . ASN 43 43 50650 1 . THR 44 44 50650 1 . PHE 45 45 50650 1 . ILE 46 46 50650 1 . HIS 47 47 50650 1 . GLY 48 48 50650 1 . ASN 49 49 50650 1 . LYS 50 50 50650 1 . ARG 51 51 50650 1 . SER 52 52 50650 1 . ILE 53 53 50650 1 . LYS 54 54 50650 1 . ALA 55 55 50650 1 . ILE 56 56 50650 1 . CYS 57 57 50650 1 . GLU 58 58 50650 1 . ASN 59 59 50650 1 . LYS 60 60 50650 1 . ASN 61 61 50650 1 . GLY 62 62 50650 1 . ASN 63 63 50650 1 . PRO 64 64 50650 1 . HIS 65 65 50650 1 . ARG 66 66 50650 1 . GLU 67 67 50650 1 . ASN 68 68 50650 1 . LEU 69 69 50650 1 . ARG 70 70 50650 1 . ILE 71 71 50650 1 . SER 72 72 50650 1 . LYS 73 73 50650 1 . SER 74 74 50650 1 . SER 75 75 50650 1 . PHE 76 76 50650 1 . GLN 77 77 50650 1 . VAL 78 78 50650 1 . THR 79 79 50650 1 . THR 80 80 50650 1 . CYS 81 81 50650 1 . LYS 82 82 50650 1 . LEU 83 83 50650 1 . HIS 84 84 50650 1 . GLY 85 85 50650 1 . GLY 86 86 50650 1 . SER 87 87 50650 1 . PRO 88 88 50650 1 . TRP 89 89 50650 1 . PRO 90 90 50650 1 . PRO 91 91 50650 1 . CYS 92 92 50650 1 . GLN 93 93 50650 1 . TYR 94 94 50650 1 . ARG 95 95 50650 1 . ALA 96 96 50650 1 . THR 97 97 50650 1 . ALA 98 98 50650 1 . GLY 99 99 50650 1 . PHE 100 100 50650 1 . ARG 101 101 50650 1 . ASN 102 102 50650 1 . VAL 103 103 50650 1 . VAL 104 104 50650 1 . VAL 105 105 50650 1 . ALA 106 106 50650 1 . CYS 107 107 50650 1 . GLU 108 108 50650 1 . ASN 109 109 50650 1 . GLY 110 110 50650 1 . LEU 111 111 50650 1 . PRO 112 112 50650 1 . VAL 113 113 50650 1 . HIS 114 114 50650 1 . LEU 115 115 50650 1 . ASP 116 116 50650 1 . GLN 117 117 50650 1 . SER 118 118 50650 1 . ILE 119 119 50650 1 . PHE 120 120 50650 1 . ARG 121 121 50650 1 . ARG 122 122 50650 1 . PRO 123 123 50650 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 50650 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50650 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 50650 _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 . . pAF . . . 50650 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50650 _Sample.ID 1 _Sample.Name 'human Angiogenin' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human Angiogenin' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM 0.2 . . . 50650 1 2 'Na2HPO4 / NaH2PO4 buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 50650 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 50650 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample Conditions 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' 0.10 0.005 M 50650 1 pH 6.5 0.05 pH 50650 1 pressure 0.92 0.01 atm 50650 1 temperature 308 0.1 K 50650 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50650 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50650 1 processing . 50650 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50650 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.13 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50650 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 50650 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 50650 _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 '1D 15N' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50650 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50650 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50650 1 4 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50650 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50650 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50650 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical Shift Reference' _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 . . . . . 50650 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50650 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50650 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 50650 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'human Angiogenin pH 6.5 35oC' _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 0.1 _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 'standard deviation of assigned peaks for the same nucleus.' _Assigned_chem_shift_list.Details '0.1 ppm for CA, 0.2 ppm for CB, 0.2 ppm for CO' _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 2 '3D CBCA(CO)NH' . . . 50650 1 3 '3D HNCO' . . . 50650 1 4 '3D HNHA' . . . 50650 1 5 '3D HNCA' . . . 50650 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 . . 50650 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 GLN C C 13 175.374 0.10 . 1 . . . . . 1 GLN CO . 50650 1 2 . 1 . 1 1 1 GLN CA C 13 56.010 0.10 . 1 . . . . . 1 GLN CA . 50650 1 3 . 1 . 1 1 1 GLN CB C 13 29.805 0.10 . 1 . . . . . 1 GLN CB . 50650 1 4 . 1 . 1 2 2 ASP H H 1 8.544 0.01 . 1 . . . . . 2 ASP HN . 50650 1 5 . 1 . 1 2 2 ASP CA C 13 54.232 0.10 . 1 . . . . . 2 ASP CA . 50650 1 6 . 1 . 1 2 2 ASP CB C 13 41.508 0.10 . 1 . . . . . 2 ASP CB . 50650 1 7 . 1 . 1 2 2 ASP N N 15 122.434 0.10 . 1 . . . . . 2 ASP N . 50650 1 8 . 1 . 1 3 3 ASN H H 1 8.597 0.01 . 1 . . . . . 3 ASN HN . 50650 1 9 . 1 . 1 3 3 ASN CA C 13 53.127 0.10 . 1 . . . . . 3 ASN CA . 50650 1 10 . 1 . 1 3 3 ASN N N 15 121.417 0.10 . 1 . . . . . 3 ASN N . 50650 1 11 . 1 . 1 4 4 SER C C 13 175.253 0.10 . 1 . . . . . 4 SER CO . 50650 1 12 . 1 . 1 4 4 SER CA C 13 60.962 0.10 . 1 . . . . . 4 SER CA . 50650 1 13 . 1 . 1 4 4 SER CB C 13 63.297 0.10 . 1 . . . . . 4 SER CB . 50650 1 14 . 1 . 1 5 5 ARG H H 1 8.645 0.01 . 1 . . . . . 5 ARG HN . 50650 1 15 . 1 . 1 5 5 ARG C C 13 177.166 0.10 . 1 . . . . . 5 ARG CO . 50650 1 16 . 1 . 1 5 5 ARG CA C 13 60.114 0.10 . 1 . . . . . 5 ARG CA . 50650 1 17 . 1 . 1 5 5 ARG CB C 13 29.891 0.10 . 1 . . . . . 5 ARG CB . 50650 1 18 . 1 . 1 5 5 ARG N N 15 122.729 0.10 . 1 . . . . . 5 ARG N . 50650 1 19 . 1 . 1 6 6 TYR H H 1 8.400 0.01 . 1 . . . . . 6 TYR HN . 50650 1 20 . 1 . 1 6 6 TYR HA H 1 5.138 0.01 . 1 . . . . . 6 TYR HA . 50650 1 21 . 1 . 1 6 6 TYR CA C 13 58.994 0.10 . 1 . . . . . 6 TYR CA . 50650 1 22 . 1 . 1 6 6 TYR CB C 13 39.180 0.10 . 1 . . . . . 6 TYR CB . 50650 1 23 . 1 . 1 6 6 TYR N N 15 123.589 0.10 . 1 . . . . . 6 TYR N . 50650 1 24 . 1 . 1 7 7 THR H H 1 8.267 0.01 . 1 . . . . . 7 THR HN . 50650 1 25 . 1 . 1 7 7 THR HA H 1 3.657 0.01 . 1 . . . . . 7 THR HA . 50650 1 26 . 1 . 1 7 7 THR C C 13 176.771 0.10 . 1 . . . . . 7 THR CO . 50650 1 27 . 1 . 1 7 7 THR CA C 13 66.942 0.10 . 1 . . . . . 7 THR CA . 50650 1 28 . 1 . 1 7 7 THR CB C 13 68.145 0.10 . 1 . . . . . 7 THR CB . 50650 1 29 . 1 . 1 7 7 THR N N 15 115.367 0.10 . 1 . . . . . 7 THR N . 50650 1 30 . 1 . 1 8 8 HIS H H 1 8.266 0.01 . 1 . . . . . 8 HIS HN . 50650 1 31 . 1 . 1 8 8 HIS HA H 1 4.457 0.01 . 1 . . . . . 8 HIS HA . 50650 1 32 . 1 . 1 8 8 HIS C C 13 176.776 0.10 . 1 . . . . . 8 HIS CO . 50650 1 33 . 1 . 1 8 8 HIS CA C 13 59.870 0.10 . 1 . . . . . 8 HIS CA . 50650 1 34 . 1 . 1 8 8 HIS CB C 13 29.891 0.10 . 1 . . . . . 8 HIS CB . 50650 1 35 . 1 . 1 8 8 HIS N N 15 122.065 0.10 . 1 . . . . . 8 HIS N . 50650 1 36 . 1 . 1 9 9 PHE H H 1 8.167 0.01 . 1 . . . . . 9 PHE HN . 50650 1 37 . 1 . 1 9 9 PHE HA H 1 4.338 0.01 . 1 . . . . . 9 PHE HA . 50650 1 38 . 1 . 1 9 9 PHE C C 13 177.216 0.10 . 1 . . . . . 9 PHE CO . 50650 1 39 . 1 . 1 9 9 PHE CA C 13 61.629 0.10 . 1 . . . . . 9 PHE CA . 50650 1 40 . 1 . 1 9 9 PHE CB C 13 38.844 0.10 . 1 . . . . . 9 PHE CB . 50650 1 41 . 1 . 1 9 9 PHE N N 15 122.231 0.10 . 1 . . . . . 9 PHE N . 50650 1 42 . 1 . 1 10 10 LEU H H 1 8.369 0.01 . 1 . . . . . 10 LEU HN . 50650 1 43 . 1 . 1 10 10 LEU HA H 1 5.012 0.01 . 1 . . . . . 10 LEU HA . 50650 1 44 . 1 . 1 10 10 LEU C C 13 181.927 0.10 . 1 . . . . . 10 LEU CO . 50650 1 45 . 1 . 1 10 10 LEU CA C 13 57.303 0.10 . 1 . . . . . 10 LEU CA . 50650 1 46 . 1 . 1 10 10 LEU CB C 13 41.822 0.10 . 1 . . . . . 10 LEU CB . 50650 1 47 . 1 . 1 10 10 LEU N N 15 119.505 0.10 . 1 . . . . . 10 LEU N . 50650 1 48 . 1 . 1 11 11 THR H H 1 8.393 0.01 . 1 . . . . . 11 THR HN . 50650 1 49 . 1 . 1 11 11 THR C C 13 175.637 0.10 . 1 . . . . . 11 THR CO . 50650 1 50 . 1 . 1 11 11 THR CA C 13 66.324 0.10 . 1 . . . . . 11 THR CA . 50650 1 51 . 1 . 1 11 11 THR CB C 13 68.903 0.10 . 1 . . . . . 11 THR CB . 50650 1 52 . 1 . 1 11 11 THR N N 15 117.496 0.01 . 1 . . . . . 11 THR N . 50650 1 53 . 1 . 1 12 12 GLN H H 1 7.859 0.01 . 1 . . . . . 12 GLN HN . 50650 1 54 . 1 . 1 12 12 GLN HA H 1 3.886 0.01 . 1 . . . . . 12 GLN HA . 50650 1 55 . 1 . 1 12 12 GLN C C 13 175.921 0.10 . 1 . . . . . 12 GLN CO . 50650 1 56 . 1 . 1 12 12 GLN CA C 13 58.026 0.10 . 1 . . . . . 12 GLN CA . 50650 1 57 . 1 . 1 12 12 GLN N N 15 116.702 0.10 . 1 . . . . . 12 GLN N . 50650 1 58 . 1 . 1 13 13 HIS H H 1 7.832 0.01 . 1 . . . . . 13 HIS HN . 50650 1 59 . 1 . 1 13 13 HIS HA H 1 4.676 0.01 . 1 . . . . . 13 HIS HA . 50650 1 60 . 1 . 1 13 13 HIS C C 13 174.737 0.10 . 1 . . . . . 13 HIS CO . 50650 1 61 . 1 . 1 13 13 HIS CA C 13 54.825 0.01 . 1 . . . . . 13 HIS CA . 50650 1 62 . 1 . 1 13 13 HIS CB C 13 30.105 0.10 . 1 . . . . . 13 HIS CB . 50650 1 63 . 1 . 1 13 13 HIS N N 15 106.884 0.10 . 1 . . . . . 13 HIS N . 50650 1 64 . 1 . 1 14 14 TYR H H 1 8.591 0.01 . 1 . . . . . 14 TYR HN . 50650 1 65 . 1 . 1 14 14 TYR HA H 1 5.655 0.01 . 1 . . . . . 14 TYR HA . 50650 1 66 . 1 . 1 14 14 TYR C C 13 176.709 0.10 . 1 . . . . . 14 TYR CO . 50650 1 67 . 1 . 1 14 14 TYR CA C 13 56.561 0.10 . 1 . . . . . 14 TYR CA . 50650 1 68 . 1 . 1 14 14 TYR CB C 13 42.146 0.10 . 1 . . . . . 14 TYR CB . 50650 1 69 . 1 . 1 14 14 TYR N N 15 120.771 0.10 . 1 . . . . . 14 TYR N . 50650 1 70 . 1 . 1 15 15 ASP H H 1 8.176 0.01 . 1 . . . . . 15 ASP HN . 50650 1 71 . 1 . 1 15 15 ASP HA H 1 4.554 0.01 . 1 . . . . . 15 ASP HA . 50650 1 72 . 1 . 1 15 15 ASP C C 13 178.700 0.10 . 1 . . . . . 15 ASP CO . 50650 1 73 . 1 . 1 15 15 ASP CA C 13 53.562 0.10 . 1 . . . . . 15 ASP CA . 50650 1 74 . 1 . 1 15 15 ASP CB C 13 41.880 0.10 . 1 . . . . . 15 ASP CB . 50650 1 75 . 1 . 1 15 15 ASP N N 15 127.896 0.10 . 1 . . . . . 15 ASP N . 50650 1 76 . 1 . 1 16 16 ALA H H 1 8.299 0.01 . 1 . . . . . 16 ALA HN . 50650 1 77 . 1 . 1 16 16 ALA CA C 13 56.594 0.10 . 1 . . . . . 16 ALA CA . 50650 1 78 . 1 . 1 16 16 ALA CB C 13 20.396 0.10 . 1 . . . . . 16 ALA CB . 50650 1 79 . 1 . 1 16 16 ALA N N 15 128.922 0.10 . 1 . . . . . 16 ALA N . 50650 1 80 . 1 . 1 17 17 LYS H H 1 8.297 0.01 . 1 . . . . . 17 LYS HN . 50650 1 81 . 1 . 1 17 17 LYS HA H 1 4.658 0.01 . 1 . . . . . 17 LYS HA . 50650 1 82 . 1 . 1 17 17 LYS CA C 13 53.065 0.10 . 1 . . . . . 17 LYS CA . 50650 1 83 . 1 . 1 17 17 LYS N N 15 116.795 0.10 . 1 . . . . . 17 LYS N . 50650 1 84 . 1 . 1 18 18 PRO C C 13 175.720 0.10 . 1 . . . . . 18 PRO CO . 50650 1 85 . 1 . 1 18 18 PRO CA C 13 62.285 0.10 . 1 . . . . . 18 PRO CA . 50650 1 86 . 1 . 1 18 18 PRO CB C 13 31.950 0.10 . 1 . . . . . 18 PRO CB . 50650 1 87 . 1 . 1 19 19 GLN H H 1 8.120 0.01 . 1 . . . . . 19 GLN HN . 50650 1 88 . 1 . 1 19 19 GLN HA H 1 4.177 0.01 . 1 . . . . . 19 GLN HA . 50650 1 89 . 1 . 1 19 19 GLN C C 13 177.810 0.10 . 1 . . . . . 19 GLN CO . 50650 1 90 . 1 . 1 19 19 GLN CA C 13 55.885 0.10 . 1 . . . . . 19 GLN CA . 50650 1 91 . 1 . 1 19 19 GLN N N 15 121.119 0.10 . 1 . . . . . 19 GLN N . 50650 1 92 . 1 . 1 20 20 GLY H H 1 7.700 0.01 . 1 . . . . . 20 GLY HN . 50650 1 93 . 1 . 1 20 20 GLY C C 13 173.600 0.10 . 1 . . . . . 20 GLY CO . 50650 1 94 . 1 . 1 20 20 GLY CA C 13 45.044 0.10 . 1 . . . . . 20 GLY CA . 50650 1 95 . 1 . 1 20 20 GLY N N 15 110.498 0.10 . 1 . . . . . 20 GLY N . 50650 1 96 . 1 . 1 21 21 ARG H H 1 7.653 0.01 . 1 . . . . . 21 ARG HN . 50650 1 97 . 1 . 1 21 21 ARG HA H 1 4.309 0.01 . 1 . . . . . 21 ARG HA . 50650 1 98 . 1 . 1 21 21 ARG C C 13 176.520 0.10 . 1 . . . . . 21 ARG CO . 50650 1 99 . 1 . 1 21 21 ARG CA C 13 54.349 0.10 . 1 . . . . . 21 ARG CA . 50650 1 100 . 1 . 1 21 21 ARG CB C 13 29.279 0.10 . 1 . . . . . 21 ARG CB . 50650 1 101 . 1 . 1 21 21 ARG N N 15 124.176 0.10 . 1 . . . . . 21 ARG N . 50650 1 102 . 1 . 1 22 22 ASP H H 1 7.711 0.01 . 1 . . . . . 22 ASP HN . 50650 1 103 . 1 . 1 22 22 ASP HA H 1 4.836 0.01 . 1 . . . . . 22 ASP HA . 50650 1 104 . 1 . 1 22 22 ASP C C 13 178.150 0.10 . 1 . . . . . 22 ASP CO . 50650 1 105 . 1 . 1 22 22 ASP CA C 13 54.361 0.10 . 1 . . . . . 22 ASP CA . 50650 1 106 . 1 . 1 22 22 ASP CB C 13 43.044 0.10 . 1 . . . . . 22 ASP CB . 50650 1 107 . 1 . 1 22 22 ASP N N 15 117.907 0.10 . 1 . . . . . 22 ASP N . 50650 1 108 . 1 . 1 23 23 ASP H H 1 8.089 0.01 . 1 . . . . . 23 ASP HN . 50650 1 109 . 1 . 1 23 23 ASP HA H 1 4.087 0.01 . 1 . . . . . 23 ASP HA . 50650 1 110 . 1 . 1 23 23 ASP CA C 13 58.839 0.10 . 1 . . . . . 23 ASP CA . 50650 1 111 . 1 . 1 23 23 ASP CB C 13 40.083 0.10 . 1 . . . . . 23 ASP CB . 50650 1 112 . 1 . 1 23 23 ASP N N 15 121.391 0.10 . 1 . . . . . 23 ASP N . 50650 1 113 . 1 . 1 24 24 ARG H H 1 7.679 0.01 . 1 . . . . . 24 ARG HN . 50650 1 114 . 1 . 1 24 24 ARG HA H 1 4.096 0.01 . 1 . . . . . 24 ARG HA . 50650 1 115 . 1 . 1 24 24 ARG C C 13 177.050 0.10 . 1 . . . . . 24 ARG CO . 50650 1 116 . 1 . 1 24 24 ARG CA C 13 59.045 0.10 . 1 . . . . . 24 ARG CA . 50650 1 117 . 1 . 1 24 24 ARG CB C 13 29.800 0.10 . 1 . . . . . 24 ARG CB . 50650 1 118 . 1 . 1 24 24 ARG N N 15 117.857 0.10 . 1 . . . . . 24 ARG N . 50650 1 119 . 1 . 1 25 25 TYR H H 1 7.964 0.01 . 1 . . . . . 25 TYR HN . 50650 1 120 . 1 . 1 25 25 TYR HA H 1 4.300 0.01 . 1 . . . . . 25 TYR HA . 50650 1 121 . 1 . 1 25 25 TYR C C 13 175.900 0.10 . 1 . . . . . 25 TYR CO . 50650 1 122 . 1 . 1 25 25 TYR CA C 13 60.859 0.10 . 1 . . . . . 25 TYR CA . 50650 1 123 . 1 . 1 25 25 TYR CB C 13 36.997 0.10 . 1 . . . . . 25 TYR CB . 50650 1 124 . 1 . 1 25 25 TYR N N 15 122.554 0.15 . 1 . . . . . 25 TYR N . 50650 1 125 . 1 . 1 26 26 CYS H H 1 8.004 0.01 . 1 . . . . . 26 CYS HN . 50650 1 126 . 1 . 1 26 26 CYS HA H 1 3.895 0.01 . 1 . . . . . 26 CYS HA . 50650 1 127 . 1 . 1 26 26 CYS C C 13 175.898 0.10 . 1 . . . . . 26 CYS CO . 50650 1 128 . 1 . 1 26 26 CYS CA C 13 59.764 0.10 . 1 . . . . . 26 CYS CA . 50650 1 129 . 1 . 1 26 26 CYS CB C 13 39.968 0.10 . 1 . . . . . 26 CYS CB . 50650 1 130 . 1 . 1 26 26 CYS N N 15 125.845 0.10 . 1 . . . . . 26 CYS N . 50650 1 131 . 1 . 1 27 27 GLU H H 1 8.316 0.01 . 1 . . . . . 27 GLU HN . 50650 1 132 . 1 . 1 27 27 GLU HA H 1 3.969 0.01 . 1 . . . . . 27 GLU HA . 50650 1 133 . 1 . 1 27 27 GLU C C 13 177.110 0.10 . 1 . . . . . 27 GLU CO . 50650 1 134 . 1 . 1 27 27 GLU CA C 13 60.450 0.10 . 1 . . . . . 27 GLU CA . 50650 1 135 . 1 . 1 27 27 GLU CB C 13 29.391 0.10 . 1 . . . . . 27 GLU CB . 50650 1 136 . 1 . 1 27 27 GLU N N 15 117.706 0.10 . 1 . . . . . 27 GLU N . 50650 1 137 . 1 . 1 28 28 SER H H 1 7.647 0.01 . 1 . . . . . 28 SER HN . 50650 1 138 . 1 . 1 28 28 SER C C 13 176.650 0.10 . 1 . . . . . 28 SER CO . 50650 1 139 . 1 . 1 28 28 SER CA C 13 60.679 0.10 . 1 . . . . . 28 SER CA . 50650 1 140 . 1 . 1 28 28 SER CB C 13 63.319 0.10 . 1 . . . . . 28 SER CB . 50650 1 141 . 1 . 1 28 28 SER N N 15 112.017 0.10 . 1 . . . . . 28 SER N . 50650 1 142 . 1 . 1 29 29 ILE H H 1 8.750 0.01 . 1 . . . . . 29 ILE HN . 50650 1 143 . 1 . 1 29 29 ILE HA H 1 3.876 0.01 . 1 . . . . . 29 ILE HA . 50650 1 144 . 1 . 1 29 29 ILE C C 13 178.410 0.10 . 1 . . . . . 29 ILE CO . 50650 1 145 . 1 . 1 29 29 ILE CA C 13 63.256 0.10 . 1 . . . . . 29 ILE CA . 50650 1 146 . 1 . 1 29 29 ILE CB C 13 38.133 0.10 . 1 . . . . . 29 ILE CB . 50650 1 147 . 1 . 1 29 29 ILE N N 15 123.265 0.10 . 1 . . . . . 29 ILE N . 50650 1 148 . 1 . 1 30 30 MET H H 1 7.804 0.01 . 1 . . . . . 30 MET HN . 50650 1 149 . 1 . 1 30 30 MET HA H 1 4.178 0.01 . 1 . . . . . 30 MET HA . 50650 1 150 . 1 . 1 30 30 MET CA C 13 57.182 0.10 . 1 . . . . . 30 MET CA . 50650 1 151 . 1 . 1 30 30 MET CB C 13 29.860 0.10 . 1 . . . . . 30 MET CB . 50650 1 152 . 1 . 1 30 30 MET N N 15 120.133 0.10 . 1 . . . . . 30 MET N . 50650 1 153 . 1 . 1 31 31 ARG H H 1 6.788 0.01 . 1 . . . . . 31 ARG HN . 50650 1 154 . 1 . 1 31 31 ARG HA H 1 4.300 0.01 . 1 . . . . . 31 ARG HA . 50650 1 155 . 1 . 1 31 31 ARG C C 13 178.590 0.10 . 1 . . . . . 31 ARG CO . 50650 1 156 . 1 . 1 31 31 ARG CA C 13 58.809 0.10 . 1 . . . . . 31 ARG CA . 50650 1 157 . 1 . 1 31 31 ARG CB C 13 30.524 0.10 . 1 . . . . . 31 ARG CB . 50650 1 158 . 1 . 1 31 31 ARG N N 15 116.937 0.10 . 1 . . . . . 31 ARG N . 50650 1 159 . 1 . 1 32 32 ARG H H 1 8.464 0.01 . 1 . . . . . 32 ARG HN . 50650 1 160 . 1 . 1 32 32 ARG HA H 1 4.122 0.01 . 1 . . . . . 32 ARG HA . 50650 1 161 . 1 . 1 32 32 ARG C C 13 175.850 0.10 . 1 . . . . . 32 ARG CO . 50650 1 162 . 1 . 1 32 32 ARG CA C 13 59.464 0.10 . 1 . . . . . 32 ARG CA . 50650 1 163 . 1 . 1 32 32 ARG CB C 13 30.794 0.10 . 1 . . . . . 32 ARG CB . 50650 1 164 . 1 . 1 32 32 ARG N N 15 121.368 0.10 . 1 . . . . . 32 ARG N . 50650 1 165 . 1 . 1 33 33 ARG H H 1 7.985 0.01 . 1 . . . . . 33 ARG HN . 50650 1 166 . 1 . 1 33 33 ARG HA H 1 4.404 0.01 . 1 . . . . . 33 ARG HA . 50650 1 167 . 1 . 1 33 33 ARG C C 13 176.430 0.10 . 1 . . . . . 33 ARG CO . 50650 1 168 . 1 . 1 33 33 ARG CA C 13 53.616 0.10 . 1 . . . . . 33 ARG CA . 50650 1 169 . 1 . 1 33 33 ARG CB C 13 28.594 0.10 . 1 . . . . . 33 ARG CB . 50650 1 170 . 1 . 1 33 33 ARG N N 15 123.702 0.10 . 1 . . . . . 33 ARG N . 50650 1 171 . 1 . 1 34 34 GLY H H 1 7.649 0.01 . 1 . . . . . 34 GLY HN . 50650 1 172 . 1 . 1 34 34 GLY HA2 H 1 4.108 0.01 . 1 . . . . . 34 GLY HA . 50650 1 173 . 1 . 1 34 34 GLY HA3 H 1 4.108 0.01 . 1 . . . . . 34 GLY HA . 50650 1 174 . 1 . 1 34 34 GLY C C 13 175.270 0.10 . 1 . . . . . 34 GLY CO . 50650 1 175 . 1 . 1 34 34 GLY CA C 13 46.965 0.10 . 1 . . . . . 34 GLY CA . 50650 1 176 . 1 . 1 34 34 GLY N N 15 116.617 0.10 . 1 . . . . . 34 GLY N . 50650 1 177 . 1 . 1 35 35 LEU H H 1 8.150 0.01 . 1 . . . . . 35 LEU HN . 50650 1 178 . 1 . 1 35 35 LEU HA H 1 4.753 0.01 . 1 . . . . . 35 LEU HA . 50650 1 179 . 1 . 1 35 35 LEU C C 13 173.280 0.10 . 1 . . . . . 35 LEU CO . 50650 1 180 . 1 . 1 35 35 LEU CA C 13 54.208 0.10 . 1 . . . . . 35 LEU CA . 50650 1 181 . 1 . 1 35 35 LEU CB C 13 41.079 0.10 . 1 . . . . . 35 LEU CB . 50650 1 182 . 1 . 1 35 35 LEU N N 15 119.820 0.10 . 1 . . . . . 35 LEU N . 50650 1 183 . 1 . 1 36 36 THR H H 1 7.272 0.01 . 1 . . . . . 36 THR HN . 50650 1 184 . 1 . 1 36 36 THR HA H 1 4.718 0.01 . 1 . . . . . 36 THR HA . 50650 1 185 . 1 . 1 36 36 THR C C 13 172.650 0.10 . 1 . . . . . 36 THR CO . 50650 1 186 . 1 . 1 36 36 THR CA C 13 60.550 0.10 . 1 . . . . . 36 THR CA . 50650 1 187 . 1 . 1 36 36 THR CB C 13 69.422 0.10 . 1 . . . . . 36 THR CB . 50650 1 188 . 1 . 1 36 36 THR N N 15 102.490 0.10 . 1 . . . . . 36 THR N . 50650 1 189 . 1 . 1 37 37 SER H H 1 7.492 0.01 . 1 . . . . . 37 SER HN . 50650 1 190 . 1 . 1 37 37 SER HA H 1 4.859 0.01 . 1 . . . . . 37 SER HA . 50650 1 191 . 1 . 1 37 37 SER CA C 13 54.729 0.10 . 1 . . . . . 37 SER CA . 50650 1 192 . 1 . 1 37 37 SER N N 15 115.160 0.10 . 1 . . . . . 37 SER N . 50650 1 193 . 1 . 1 38 38 PRO C C 13 172.464 0.10 . 1 . . . . . 38 PRO CO . 50650 1 194 . 1 . 1 38 38 PRO CA C 13 63.177 0.10 . 1 . . . . . 38 PRO CA . 50650 1 195 . 1 . 1 38 38 PRO CB C 13 33.849 0.10 . 1 . . . . . 38 PRO CB . 50650 1 196 . 1 . 1 39 39 CYS H H 1 7.995 0.01 . 1 . . . . . 39 CYS HN . 50650 1 197 . 1 . 1 39 39 CYS CA C 13 55.522 0.10 . 1 . . . . . 39 CYS CA . 50650 1 198 . 1 . 1 39 39 CYS N N 15 114.630 0.10 . 1 . . . . . 39 CYS N . 50650 1 199 . 1 . 1 40 40 LYS H H 1 7.860 0.01 . 1 . . . . . 40 LYS HN . 50650 1 200 . 1 . 1 40 40 LYS C C 13 175.770 0.10 . 1 . . . . . 40 LYS CO . 50650 1 201 . 1 . 1 40 40 LYS CA C 13 56.550 0.10 . 1 . . . . . 40 LYS CA . 50650 1 202 . 1 . 1 40 40 LYS CB C 13 33.399 0.10 . 1 . . . . . 40 LYS CB . 50650 1 203 . 1 . 1 40 40 LYS N N 15 127.189 0.01 . 1 . . . . . 40 LYS N . 50650 1 204 . 1 . 1 41 41 ASP H H 1 8.756 0.01 . 1 . . . . . 41 ASP HN . 50650 1 205 . 1 . 1 41 41 ASP HA H 1 4.422 0.01 . 1 . . . . . 41 ASP HA . 50650 1 206 . 1 . 1 41 41 ASP C C 13 173.100 0.10 . 1 . . . . . 41 ASP CO . 50650 1 207 . 1 . 1 41 41 ASP CA C 13 57.305 0.10 . 1 . . . . . 41 ASP CA . 50650 1 208 . 1 . 1 41 41 ASP CB C 13 40.579 0.10 . 1 . . . . . 41 ASP CB . 50650 1 209 . 1 . 1 41 41 ASP N N 15 125.676 0.10 . 1 . . . . . 41 ASP N . 50650 1 210 . 1 . 1 42 42 ILE H H 1 7.812 0.01 . 1 . . . . . 42 ILE HN . 50650 1 211 . 1 . 1 42 42 ILE HA H 1 5.331 0.01 . 1 . . . . . 42 ILE HA . 50650 1 212 . 1 . 1 42 42 ILE C C 13 173.230 0.10 . 1 . . . . . 42 ILE CO . 50650 1 213 . 1 . 1 42 42 ILE CA C 13 59.457 0.10 . 1 . . . . . 42 ILE CA . 50650 1 214 . 1 . 1 42 42 ILE CB C 13 40.796 0.10 . 1 . . . . . 42 ILE CB . 50650 1 215 . 1 . 1 42 42 ILE N N 15 117.269 0.10 . 1 . . . . . 42 ILE N . 50650 1 216 . 1 . 1 43 43 ASN H H 1 8.448 0.01 . 1 . . . . . 43 ASN HN . 50650 1 217 . 1 . 1 43 43 ASN HA H 1 4.828 0.01 . 1 . . . . . 43 ASN HA . 50650 1 218 . 1 . 1 43 43 ASN CA C 13 54.545 0.10 . 1 . . . . . 43 ASN CA . 50650 1 219 . 1 . 1 43 43 ASN CB C 13 44.446 0.10 . 1 . . . . . 43 ASN CB . 50650 1 220 . 1 . 1 43 43 ASN N N 15 121.761 0.10 . 1 . . . . . 43 ASN N . 50650 1 221 . 1 . 1 44 44 THR H H 1 8.406 0.01 . 1 . . . . . 44 THR HN . 50650 1 222 . 1 . 1 44 44 THR HA H 1 4.914 0.01 . 1 . . . . . 44 THR HA . 50650 1 223 . 1 . 1 44 44 THR CA C 13 62.575 0.10 . 1 . . . . . 44 THR CA . 50650 1 224 . 1 . 1 44 44 THR CB C 13 69.835 0.10 . 1 . . . . . 44 THR CB . 50650 1 225 . 1 . 1 44 44 THR N N 15 124.741 0.10 . 1 . . . . . 44 THR N . 50650 1 226 . 1 . 1 45 45 PHE H H 1 9.020 0.01 . 1 . . . . . 45 PHE HN . 50650 1 227 . 1 . 1 45 45 PHE HA H 1 4.524 0.01 . 1 . . . . . 45 PHE HA . 50650 1 228 . 1 . 1 45 45 PHE C C 13 175.600 0.10 . 1 . . . . . 45 PHE CO . 50650 1 229 . 1 . 1 45 45 PHE CA C 13 56.819 0.10 . 1 . . . . . 45 PHE CA . 50650 1 230 . 1 . 1 45 45 PHE CB C 13 42.688 0.10 . 1 . . . . . 45 PHE CB . 50650 1 231 . 1 . 1 45 45 PHE N N 15 124.670 0.10 . 1 . . . . . 45 PHE N . 50650 1 232 . 1 . 1 46 46 ILE H H 1 9.021 0.01 . 1 . . . . . 46 ILE HN . 50650 1 233 . 1 . 1 46 46 ILE HA H 1 4.124 0.01 . 1 . . . . . 46 ILE HA . 50650 1 234 . 1 . 1 46 46 ILE C C 13 175.580 0.10 . 1 . . . . . 46 ILE CO . 50650 1 235 . 1 . 1 46 46 ILE CA C 13 60.312 0.10 . 1 . . . . . 46 ILE CA . 50650 1 236 . 1 . 1 46 46 ILE CB C 13 40.321 0.10 . 1 . . . . . 46 ILE CB . 50650 1 237 . 1 . 1 46 46 ILE N N 15 121.495 0.10 . 1 . . . . . 46 ILE N . 50650 1 238 . 1 . 1 47 47 HIS H H 1 8.320 0.01 . 1 . . . . . 47 HIS HN . 50650 1 239 . 1 . 1 47 47 HIS HA H 1 5.604 0.01 . 1 . . . . . 47 HIS HA . 50650 1 240 . 1 . 1 47 47 HIS C C 13 175.600 0.10 . 1 . . . . . 47 HIS CO . 50650 1 241 . 1 . 1 47 47 HIS CA C 13 52.403 0.10 . 1 . . . . . 47 HIS CA . 50650 1 242 . 1 . 1 47 47 HIS CB C 13 30.493 0.10 . 1 . . . . . 47 HIS CB . 50650 1 243 . 1 . 1 47 47 HIS N N 15 124.465 0.10 . 1 . . . . . 47 HIS N . 50650 1 244 . 1 . 1 48 48 GLY H H 1 8.502 0.01 . 1 . . . . . 48 GLY HN . 50650 1 245 . 1 . 1 48 48 GLY HA2 H 1 4.850 0.01 . 1 . . . . . 48 GLY HA . 50650 1 246 . 1 . 1 48 48 GLY HA3 H 1 4.850 0.01 . 1 . . . . . 48 GLY HA . 50650 1 247 . 1 . 1 48 48 GLY CA C 13 44.698 0.10 . 1 . . . . . 48 GLY CA . 50650 1 248 . 1 . 1 48 48 GLY N N 15 108.023 0.10 . 1 . . . . . 48 GLY N . 50650 1 249 . 1 . 1 50 50 LYS C C 13 176.160 0.10 . 1 . . . . . 50 LYS CO . 50650 1 250 . 1 . 1 50 50 LYS CA C 13 60.069 0.10 . 1 . . . . . 50 LYS CA . 50650 1 251 . 1 . 1 50 50 LYS CB C 13 32.272 0.10 . 1 . . . . . 50 LYS CB . 50650 1 252 . 1 . 1 51 51 ARG H H 1 8.777 0.01 . 1 . . . . . 51 ARG HN . 50650 1 253 . 1 . 1 51 51 ARG C C 13 176.190 0.10 . 1 . . . . . 51 ARG CO . 50650 1 254 . 1 . 1 51 51 ARG CA C 13 59.659 0.10 . 1 . . . . . 51 ARG CA . 50650 1 255 . 1 . 1 51 51 ARG CB C 13 29.349 0.10 . 1 . . . . . 51 ARG CB . 50650 1 256 . 1 . 1 51 51 ARG N N 15 119.677 0.10 . 1 . . . . . 51 ARG N . 50650 1 257 . 1 . 1 52 52 SER H H 1 7.805 0.01 . 1 . . . . . 52 SER HN . 50650 1 258 . 1 . 1 52 52 SER HA H 1 4.356 0.01 . 1 . . . . . 52 SER HA . 50650 1 259 . 1 . 1 52 52 SER C C 13 178.000 0.10 . 1 . . . . . 52 SER CO . 50650 1 260 . 1 . 1 52 52 SER CA C 13 61.531 0.10 . 1 . . . . . 52 SER CA . 50650 1 261 . 1 . 1 52 52 SER CB C 13 63.185 0.10 . 1 . . . . . 52 SER CB . 50650 1 262 . 1 . 1 52 52 SER N N 15 124.909 0.10 . 1 . . . . . 52 SER N . 50650 1 263 . 1 . 1 53 53 ILE H H 1 7.377 0.01 . 1 . . . . . 53 ILE HN . 50650 1 264 . 1 . 1 53 53 ILE HA H 1 3.789 0.01 . 1 . . . . . 53 ILE HA . 50650 1 265 . 1 . 1 53 53 ILE C C 13 178.180 0.10 . 1 . . . . . 53 ILE CO . 50650 1 266 . 1 . 1 53 53 ILE CA C 13 63.918 0.10 . 1 . . . . . 53 ILE CA . 50650 1 267 . 1 . 1 53 53 ILE N N 15 121.297 0.10 . 1 . . . . . 53 ILE N . 50650 1 268 . 1 . 1 54 54 LYS H H 1 7.892 0.01 . 1 . . . . . 54 LYS HN . 50650 1 269 . 1 . 1 54 54 LYS HA H 1 4.190 0.01 . 1 . . . . . 54 LYS HA . 50650 1 270 . 1 . 1 54 54 LYS C C 13 178.610 0.10 . 1 . . . . . 54 LYS CO . 50650 1 271 . 1 . 1 54 54 LYS CA C 13 60.300 0.10 . 1 . . . . . 54 LYS CA . 50650 1 272 . 1 . 1 54 54 LYS CB C 13 32.169 0.10 . 1 . . . . . 54 LYS CB . 50650 1 273 . 1 . 1 54 54 LYS N N 15 119.302 0.10 . 1 . . . . . 54 LYS N . 50650 1 274 . 1 . 1 55 55 ALA H H 1 7.587 0.01 . 1 . . . . . 55 ALA HN . 50650 1 275 . 1 . 1 55 55 ALA HA H 1 4.206 0.01 . 1 . . . . . 55 ALA HA . 50650 1 276 . 1 . 1 55 55 ALA C C 13 177.830 0.10 . 1 . . . . . 55 ALA CO . 50650 1 277 . 1 . 1 55 55 ALA CA C 13 53.464 0.10 . 1 . . . . . 55 ALA CA . 50650 1 278 . 1 . 1 55 55 ALA CB C 13 18.888 0.10 . 1 . . . . . 55 ALA CB . 50650 1 279 . 1 . 1 55 55 ALA N N 15 115.668 0.10 . 1 . . . . . 55 ALA N . 50650 1 280 . 1 . 1 56 56 ILE H H 1 7.777 0.01 . 1 . . . . . 56 ILE HN . 50650 1 281 . 1 . 1 56 56 ILE HA H 1 4.030 0.01 . 1 . . . . . 56 ILE HA . 50650 1 282 . 1 . 1 56 56 ILE C C 13 173.550 0.10 . 1 . . . . . 56 ILE CO . 50650 1 283 . 1 . 1 56 56 ILE CA C 13 63.960 0.10 . 1 . . . . . 56 ILE CA . 50650 1 284 . 1 . 1 56 56 ILE N N 15 121.666 0.10 . 1 . . . . . 56 ILE N . 50650 1 285 . 1 . 1 57 57 CYS H H 1 7.650 0.01 . 1 . . . . . 57 CYS HN . 50650 1 286 . 1 . 1 57 57 CYS HA H 1 3.983 0.01 . 1 . . . . . 57 CYS HA . 50650 1 287 . 1 . 1 57 57 CYS C C 13 176.130 0.10 . 1 . . . . . 57 CYS CO . 50650 1 288 . 1 . 1 57 57 CYS CA C 13 53.650 0.10 . 1 . . . . . 57 CYS CA . 50650 1 289 . 1 . 1 57 57 CYS CB C 13 38.904 0.10 . 1 . . . . . 57 CYS CB . 50650 1 290 . 1 . 1 57 57 CYS N N 15 124.115 0.10 . 1 . . . . . 57 CYS N . 50650 1 291 . 1 . 1 58 58 GLU H H 1 7.587 0.01 . 1 . . . . . 58 GLU HN . 50650 1 292 . 1 . 1 58 58 GLU HA H 1 4.632 0.01 . 1 . . . . . 58 GLU HA . 50650 1 293 . 1 . 1 58 58 GLU CA C 13 54.602 0.10 . 1 . . . . . 58 GLU CA . 50650 1 294 . 1 . 1 60 60 LYS C C 13 175.016 0.10 . 1 . . . . . 60 LYS CO . 50650 1 295 . 1 . 1 60 60 LYS CA C 13 58.846 0.10 . 1 . . . . . 60 LYS CA . 50650 1 296 . 1 . 1 60 60 LYS CB C 13 32.885 0.10 . 1 . . . . . 60 LYS CB . 50650 1 297 . 1 . 1 61 61 ASN H H 1 7.319 0.01 . 1 . . . . . 61 ASN HN . 50650 1 298 . 1 . 1 61 61 ASN C C 13 175.080 0.10 . 1 . . . . . 61 ASN CO . 50650 1 299 . 1 . 1 61 61 ASN CA C 13 51.802 0.10 . 1 . . . . . 61 ASN CA . 50650 1 300 . 1 . 1 61 61 ASN N N 15 120.636 0.10 . 1 . . . . . 61 ASN N . 50650 1 301 . 1 . 1 62 62 GLY H H 1 7.635 0.01 . 1 . . . . . 62 GLY HN . 50650 1 302 . 1 . 1 62 62 GLY C C 13 172.870 0.10 . 1 . . . . . 62 GLY CO . 50650 1 303 . 1 . 1 62 62 GLY CA C 13 45.449 0.10 . 1 . . . . . 62 GLY CA . 50650 1 304 . 1 . 1 62 62 GLY N N 15 109.064 0.10 . 1 . . . . . 62 GLY N . 50650 1 305 . 1 . 1 63 63 ASN H H 1 8.745 0.01 . 1 . . . . . 63 ASN HN . 50650 1 306 . 1 . 1 63 63 ASN HA H 1 5.348 0.01 . 1 . . . . . 63 ASN HA . 50650 1 307 . 1 . 1 63 63 ASN CA C 13 50.317 0.10 . 1 . . . . . 63 ASN CA . 50650 1 308 . 1 . 1 63 63 ASN N N 15 117.244 0.10 . 1 . . . . . 63 ASN N . 50650 1 309 . 1 . 1 66 66 ARG C C 13 176.202 0.10 . 1 . . . . . 66 ARG CO . 50650 1 310 . 1 . 1 66 66 ARG CA C 13 55.921 0.10 . 1 . . . . . 66 ARG CA . 50650 1 311 . 1 . 1 66 66 ARG CB C 13 30.911 0.10 . 1 . . . . . 66 ARG CB . 50650 1 312 . 1 . 1 67 67 GLU H H 1 8.847 0.01 . 1 . . . . . 67 GLU HN . 50650 1 313 . 1 . 1 67 67 GLU C C 13 174.870 0.10 . 1 . . . . . 67 GLU CO . 50650 1 314 . 1 . 1 67 67 GLU CA C 13 58.480 0.10 . 1 . . . . . 67 GLU CA . 50650 1 315 . 1 . 1 67 67 GLU CB C 13 28.122 0.10 . 1 . . . . . 67 GLU CB . 50650 1 316 . 1 . 1 67 67 GLU N N 15 119.127 0.10 . 1 . . . . . 67 GLU N . 50650 1 317 . 1 . 1 68 68 ASN H H 1 8.582 0.01 . 1 . . . . . 68 ASN HN . 50650 1 318 . 1 . 1 68 68 ASN HA H 1 4.861 0.01 . 1 . . . . . 68 ASN HA . 50650 1 319 . 1 . 1 68 68 ASN C C 13 177.170 0.10 . 1 . . . . . 68 ASN CO . 50650 1 320 . 1 . 1 68 68 ASN CA C 13 53.689 0.10 . 1 . . . . . 68 ASN CA . 50650 1 321 . 1 . 1 68 68 ASN CB C 13 38.068 0.10 . 1 . . . . . 68 ASN CB . 50650 1 322 . 1 . 1 68 68 ASN N N 15 118.228 0.10 . 1 . . . . . 68 ASN N . 50650 1 323 . 1 . 1 69 69 LEU H H 1 8.378 0.01 . 1 . . . . . 69 LEU HN . 50650 1 324 . 1 . 1 69 69 LEU HA H 1 5.021 0.01 . 1 . . . . . 69 LEU HA . 50650 1 325 . 1 . 1 69 69 LEU C C 13 173.320 0.10 . 1 . . . . . 69 LEU CO . 50650 1 326 . 1 . 1 69 69 LEU CA C 13 54.217 0.10 . 1 . . . . . 69 LEU CA . 50650 1 327 . 1 . 1 69 69 LEU CB C 13 43.724 0.10 . 1 . . . . . 69 LEU CB . 50650 1 328 . 1 . 1 69 69 LEU N N 15 120.082 0.10 . 1 . . . . . 69 LEU N . 50650 1 329 . 1 . 1 70 70 ARG H H 1 9.401 0.01 . 1 . . . . . 70 ARG HN . 50650 1 330 . 1 . 1 70 70 ARG HA H 1 4.984 0.01 . 1 . . . . . 70 ARG HA . 50650 1 331 . 1 . 1 70 70 ARG C C 13 173.290 0.10 . 1 . . . . . 70 ARG CO . 50650 1 332 . 1 . 1 70 70 ARG CA C 13 54.835 0.10 . 1 . . . . . 70 ARG CA . 50650 1 333 . 1 . 1 70 70 ARG CB C 13 34.234 0.10 . 1 . . . . . 70 ARG CB . 50650 1 334 . 1 . 1 70 70 ARG N N 15 122.561 0.10 . 1 . . . . . 70 ARG N . 50650 1 335 . 1 . 1 71 71 ILE H H 1 8.963 0.01 . 1 . . . . . 71 ILE HN . 50650 1 336 . 1 . 1 71 71 ILE HA H 1 5.282 0.01 . 1 . . . . . 71 ILE HA . 50650 1 337 . 1 . 1 71 71 ILE C C 13 174.480 0.10 . 1 . . . . . 71 ILE CO . 50650 1 338 . 1 . 1 71 71 ILE CA C 13 57.580 0.10 . 1 . . . . . 71 ILE CA . 50650 1 339 . 1 . 1 71 71 ILE N N 15 120.343 0.10 . 1 . . . . . 71 ILE N . 50650 1 340 . 1 . 1 72 72 SER H H 1 9.069 0.01 . 1 . . . . . 72 SER HN . 50650 1 341 . 1 . 1 72 72 SER HA H 1 4.968 0.01 . 1 . . . . . 72 SER HA . 50650 1 342 . 1 . 1 72 72 SER CA C 13 58.459 0.10 . 1 . . . . . 72 SER CA . 50650 1 343 . 1 . 1 72 72 SER N N 15 122.294 0.10 . 1 . . . . . 72 SER N . 50650 1 344 . 1 . 1 73 73 LYS C C 13 173.621 0.10 . 1 . . . . . 73 LYS CO . 50650 1 345 . 1 . 1 73 73 LYS CA C 13 58.482 0.10 . 1 . . . . . 73 LYS CA . 50650 1 346 . 1 . 1 73 73 LYS CB C 13 32.997 0.10 . 1 . . . . . 73 LYS CB . 50650 1 347 . 1 . 1 74 74 SER H H 1 8.185 0.01 . 1 . . . . . 74 SER HN . 50650 1 348 . 1 . 1 74 74 SER HA H 1 4.498 0.01 . 1 . . . . . 74 SER HA . 50650 1 349 . 1 . 1 74 74 SER CA C 13 56.998 0.10 . 1 . . . . . 74 SER CA . 50650 1 350 . 1 . 1 74 74 SER CB C 13 64.638 0.10 . 1 . . . . . 74 SER CB . 50650 1 351 . 1 . 1 74 74 SER N N 15 113.240 0.10 . 1 . . . . . 74 SER N . 50650 1 352 . 1 . 1 75 75 SER H H 1 8.313 0.01 . 1 . . . . . 75 SER HN . 50650 1 353 . 1 . 1 75 75 SER HA H 1 4.681 0.01 . 1 . . . . . 75 SER HA . 50650 1 354 . 1 . 1 75 75 SER C C 13 176.416 0.10 . 1 . . . . . 75 SER CO . 50650 1 355 . 1 . 1 75 75 SER CA C 13 58.201 0.10 . 1 . . . . . 75 SER CA . 50650 1 356 . 1 . 1 75 75 SER CB C 13 63.521 0.10 . 1 . . . . . 75 SER CB . 50650 1 357 . 1 . 1 75 75 SER N N 15 113.240 0.10 . 1 . . . . . 75 SER N . 50650 1 358 . 1 . 1 76 76 PHE H H 1 8.550 0.01 . 1 . . . . . 76 PHE HN . 50650 1 359 . 1 . 1 76 76 PHE HA H 1 4.736 0.01 . 1 . . . . . 76 PHE HA . 50650 1 360 . 1 . 1 76 76 PHE C C 13 174.880 0.10 . 1 . . . . . 76 PHE CO . 50650 1 361 . 1 . 1 76 76 PHE CA C 13 57.173 0.10 . 1 . . . . . 76 PHE CA . 50650 1 362 . 1 . 1 76 76 PHE CB C 13 42.935 0.10 . 1 . . . . . 76 PHE CB . 50650 1 363 . 1 . 1 76 76 PHE N N 15 120.662 0.10 . 1 . . . . . 76 PHE N . 50650 1 364 . 1 . 1 77 77 GLN H H 1 9.286 0.01 . 1 . . . . . 77 GLN HN . 50650 1 365 . 1 . 1 77 77 GLN HA H 1 5.031 0.01 . 1 . . . . . 77 GLN HA . 50650 1 366 . 1 . 1 77 77 GLN C C 13 174.890 0.10 . 1 . . . . . 77 GLN CO . 50650 1 367 . 1 . 1 77 77 GLN CA C 13 56.424 0.10 . 1 . . . . . 77 GLN CA . 50650 1 368 . 1 . 1 77 77 GLN CB C 13 28.474 0.10 . 1 . . . . . 77 GLN CB . 50650 1 369 . 1 . 1 77 77 GLN N N 15 120.728 0.10 . 1 . . . . . 77 GLN N . 50650 1 370 . 1 . 1 78 78 VAL H H 1 8.572 0.01 . 1 . . . . . 78 VAL HN . 50650 1 371 . 1 . 1 78 78 VAL HA H 1 5.294 0.01 . 1 . . . . . 78 VAL HA . 50650 1 372 . 1 . 1 78 78 VAL C C 13 173.400 0.10 . 1 . . . . . 78 VAL CO . 50650 1 373 . 1 . 1 78 78 VAL CA C 13 58.427 0.10 . 1 . . . . . 78 VAL CA . 50650 1 374 . 1 . 1 78 78 VAL CB C 13 36.333 0.10 . 1 . . . . . 78 VAL CB . 50650 1 375 . 1 . 1 78 78 VAL N N 15 115.241 0.10 . 1 . . . . . 78 VAL N . 50650 1 376 . 1 . 1 79 79 THR HA H 1 4.836 0.10 . 1 . . . . . 79 THR HA . 50650 1 377 . 1 . 1 79 79 THR C C 13 173.170 0.10 . 1 . . . . . 79 THR CO . 50650 1 378 . 1 . 1 79 79 THR CA C 13 63.977 0.10 . 1 . . . . . 79 THR CA . 50650 1 379 . 1 . 1 79 79 THR CB C 13 70.091 0.10 . 1 . . . . . 79 THR CB . 50650 1 380 . 1 . 1 79 79 THR N N 15 121.881 0.10 . 1 . . . . . 79 THR N . 50650 1 381 . 1 . 1 80 80 THR H H 1 9.031 0.10 . 1 . . . . . 80 THR HN . 50650 1 382 . 1 . 1 80 80 THR HA H 1 4.685 0.10 . 1 . . . . . 80 THR HA . 50650 1 383 . 1 . 1 80 80 THR CA C 13 62.592 0.10 . 1 . . . . . 80 THR CA . 50650 1 384 . 1 . 1 80 80 THR CB C 13 69.607 0.10 . 1 . . . . . 80 THR CB . 50650 1 385 . 1 . 1 80 80 THR N N 15 125.242 0.10 . 1 . . . . . 80 THR N . 50650 1 386 . 1 . 1 81 81 CYS H H 1 9.093 0.01 . 1 . . . . . 81 CYS HN . 50650 1 387 . 1 . 1 81 81 CYS HA H 1 5.338 0.01 . 1 . . . . . 81 CYS HA . 50650 1 388 . 1 . 1 81 81 CYS CA C 13 52.506 0.10 . 1 . . . . . 81 CYS CA . 50650 1 389 . 1 . 1 81 81 CYS N N 15 126.714 0.10 . 1 . . . . . 81 CYS N . 50650 1 390 . 1 . 1 83 83 LEU C C 13 175.095 0.10 . 1 . . . . . 83 LEU CO . 50650 1 391 . 1 . 1 83 83 LEU CA C 13 55.915 0.10 . 1 . . . . . 83 LEU CA . 50650 1 392 . 1 . 1 83 83 LEU CB C 13 43.661 0.10 . 1 . . . . . 83 LEU CB . 50650 1 393 . 1 . 1 84 84 HIS H H 1 8.746 0.01 . 1 . . . . . 84 HIS HN . 50650 1 394 . 1 . 1 84 84 HIS HA H 1 4.771 0.01 . 1 . . . . . 84 HIS HA . 50650 1 395 . 1 . 1 84 84 HIS N N 15 127.901 0.10 . 1 . . . . . 84 HIS N . 50650 1 396 . 1 . 1 86 86 GLY H H 1 8.034 0.01 . 1 . . . . . 86 GLY HN . 50650 1 397 . 1 . 1 86 86 GLY C C 13 173.910 0.10 . 1 . . . . . 86 GLY CO . 50650 1 398 . 1 . 1 86 86 GLY CA C 13 45.813 0.10 . 1 . . . . . 86 GLY CA . 50650 1 399 . 1 . 1 86 86 GLY N N 15 106.233 0.10 . 1 . . . . . 86 GLY N . 50650 1 400 . 1 . 1 87 87 SER H H 1 7.900 0.01 . 1 . . . . . 87 SER HN . 50650 1 401 . 1 . 1 87 87 SER HA H 1 4.858 0.01 . 1 . . . . . 87 SER HA . 50650 1 402 . 1 . 1 87 87 SER N N 15 115.873 0.10 . 1 . . . . . 87 SER N . 50650 1 403 . 1 . 1 88 88 PRO C C 13 173.330 0.10 . 1 . . . . . 88 PRO CO . 50650 1 404 . 1 . 1 88 88 PRO CA C 13 63.000 0.10 . 1 . . . . . 88 PRO CA . 50650 1 405 . 1 . 1 88 88 PRO CB C 13 31.430 0.10 . 1 . . . . . 88 PRO CB . 50650 1 406 . 1 . 1 89 89 TRP H H 1 7.295 0.01 . 1 . . . . . 89 TRP HN . 50650 1 407 . 1 . 1 89 89 TRP HA H 1 5.172 0.01 . 1 . . . . . 89 TRP HA . 50650 1 408 . 1 . 1 89 89 TRP CA C 13 53.950 0.10 . 1 . . . . . 89 TRP CA . 50650 1 409 . 1 . 1 89 89 TRP N N 15 120.052 0.10 . 1 . . . . . 89 TRP N . 50650 1 410 . 1 . 1 91 91 PRO C C 13 173.844 0.10 . 1 . . . . . 91 PRO CO . 50650 1 411 . 1 . 1 91 91 PRO CA C 13 62.411 0.10 . 1 . . . . . 91 PRO CA . 50650 1 412 . 1 . 1 91 91 PRO CB C 13 34.286 0.10 . 1 . . . . . 91 PRO CB . 50650 1 413 . 1 . 1 92 92 CYS H H 1 9.012 0.01 . 1 . . . . . 92 CYS HN . 50650 1 414 . 1 . 1 92 92 CYS HA H 1 4.563 0.01 . 1 . . . . . 92 CYS HA . 50650 1 415 . 1 . 1 92 92 CYS C C 13 174.110 0.10 . 1 . . . . . 92 CYS CO . 50650 1 416 . 1 . 1 92 92 CYS CA C 13 53.711 0.10 . 1 . . . . . 92 CYS CA . 50650 1 417 . 1 . 1 92 92 CYS CB C 13 40.357 0.10 . 1 . . . . . 92 CYS CB . 50650 1 418 . 1 . 1 92 92 CYS N N 15 124.028 0.10 . 1 . . . . . 92 CYS N . 50650 1 419 . 1 . 1 93 93 GLN H H 1 8.692 0.01 . 1 . . . . . 93 GLN HN . 50650 1 420 . 1 . 1 93 93 GLN C C 13 174.090 0.10 . 1 . . . . . 93 GLN CO . 50650 1 421 . 1 . 1 93 93 GLN CA C 13 54.931 0.10 . 1 . . . . . 93 GLN CA . 50650 1 422 . 1 . 1 93 93 GLN CB C 13 30.200 0.10 . 1 . . . . . 93 GLN CB . 50650 1 423 . 1 . 1 93 93 GLN N N 15 125.723 0.10 . 1 . . . . . 93 GLN N . 50650 1 424 . 1 . 1 94 94 TYR H H 1 8.726 0.01 . 1 . . . . . 94 TYR HN . 50650 1 425 . 1 . 1 94 94 TYR HA H 1 5.075 0.01 . 1 . . . . . 94 TYR HA . 50650 1 426 . 1 . 1 94 94 TYR C C 13 176.870 0.10 . 1 . . . . . 94 TYR CO . 50650 1 427 . 1 . 1 94 94 TYR CA C 13 58.485 0.10 . 1 . . . . . 94 TYR CA . 50650 1 428 . 1 . 1 94 94 TYR N N 15 119.581 0.10 . 1 . . . . . 94 TYR N . 50650 1 429 . 1 . 1 95 95 ARG H H 1 9.001 0.01 . 1 . . . . . 95 ARG HN . 50650 1 430 . 1 . 1 95 95 ARG HA H 1 4.943 0.01 . 1 . . . . . 95 ARG HA . 50650 1 431 . 1 . 1 95 95 ARG CA C 13 53.037 0.10 . 1 . . . . . 95 ARG CA . 50650 1 432 . 1 . 1 95 95 ARG CB C 13 32.239 0.10 . 1 . . . . . 95 ARG CB . 50650 1 433 . 1 . 1 95 95 ARG N N 15 118.117 0.10 . 1 . . . . . 95 ARG N . 50650 1 434 . 1 . 1 96 96 ALA H H 1 9.100 0.01 . 1 . . . . . 96 ALA HN . 50650 1 435 . 1 . 1 96 96 ALA HA H 1 5.527 0.01 . 1 . . . . . 96 ALA HA . 50650 1 436 . 1 . 1 96 96 ALA C C 13 174.280 0.10 . 1 . . . . . 96 ALA CO . 50650 1 437 . 1 . 1 96 96 ALA CA C 13 51.626 0.10 . 1 . . . . . 96 ALA CA . 50650 1 438 . 1 . 1 96 96 ALA CB C 13 22.724 0.10 . 1 . . . . . 96 ALA CB . 50650 1 439 . 1 . 1 96 96 ALA N N 15 129.386 0.10 . 1 . . . . . 96 ALA N . 50650 1 440 . 1 . 1 97 97 THR H H 1 9.213 0.01 . 1 . . . . . 97 THR HN . 50650 1 441 . 1 . 1 97 97 THR HA H 1 4.623 0.01 . 1 . . . . . 97 THR HA . 50650 1 442 . 1 . 1 97 97 THR C C 13 176.760 0.10 . 1 . . . . . 97 THR CO . 50650 1 443 . 1 . 1 97 97 THR CA C 13 62.661 0.10 . 1 . . . . . 97 THR CA . 50650 1 444 . 1 . 1 97 97 THR CB C 13 71.513 0.10 . 1 . . . . . 97 THR CB . 50650 1 445 . 1 . 1 97 97 THR N N 15 117.432 0.10 . 1 . . . . . 97 THR N . 50650 1 446 . 1 . 1 98 98 ALA H H 1 9.435 0.01 . 1 . . . . . 98 ALA HN . 50650 1 447 . 1 . 1 98 98 ALA CA C 13 51.430 0.10 . 1 . . . . . 98 ALA CA . 50650 1 448 . 1 . 1 98 98 ALA CB C 13 19.927 0.10 . 1 . . . . . 98 ALA CB . 50650 1 449 . 1 . 1 98 98 ALA N N 15 134.754 0.10 . 1 . . . . . 98 ALA N . 50650 1 450 . 1 . 1 99 99 GLY H H 1 8.661 0.01 . 1 . . . . . 99 GLY HN . 50650 1 451 . 1 . 1 99 99 GLY HA2 H 1 4.632 0.01 . 1 . . . . . 99 GLY HA . 50650 1 452 . 1 . 1 99 99 GLY HA3 H 1 4.632 0.01 . 1 . . . . . 99 GLY HA . 50650 1 453 . 1 . 1 99 99 GLY C C 13 176.120 0.10 . 1 . . . . . 99 GLY CO . 50650 1 454 . 1 . 1 99 99 GLY CA C 13 45.276 0.10 . 1 . . . . . 99 GLY CA . 50650 1 455 . 1 . 1 99 99 GLY N N 15 108.880 0.10 . 1 . . . . . 99 GLY N . 50650 1 456 . 1 . 1 100 100 PHE H H 1 8.507 0.01 . 1 . . . . . 100 PHE HN . 50650 1 457 . 1 . 1 100 100 PHE HA H 1 5.796 0.01 . 1 . . . . . 100 PHE HA . 50650 1 458 . 1 . 1 100 100 PHE C C 13 175.420 0.10 . 1 . . . . . 100 PHE CO . 50650 1 459 . 1 . 1 100 100 PHE CA C 13 56.177 0.10 . 1 . . . . . 100 PHE CA . 50650 1 460 . 1 . 1 100 100 PHE CB C 13 40.091 0.10 . 1 . . . . . 100 PHE CB . 50650 1 461 . 1 . 1 100 100 PHE N N 15 122.421 0.10 . 1 . . . . . 100 PHE N . 50650 1 462 . 1 . 1 101 101 ARG H H 1 8.785 0.01 . 1 . . . . . 101 ARG HN . 50650 1 463 . 1 . 1 101 101 ARG HA H 1 4.824 0.01 . 1 . . . . . 101 ARG HA . 50650 1 464 . 1 . 1 101 101 ARG C C 13 174.070 0.10 . 1 . . . . . 101 ARG CO . 50650 1 465 . 1 . 1 101 101 ARG CA C 13 54.579 0.10 . 1 . . . . . 101 ARG CA . 50650 1 466 . 1 . 1 101 101 ARG CB C 13 33.590 0.10 . 1 . . . . . 101 ARG CB . 50650 1 467 . 1 . 1 101 101 ARG N N 15 121.259 0.10 . 1 . . . . . 101 ARG N . 50650 1 468 . 1 . 1 102 102 ASN H H 1 8.236 0.01 . 1 . . . . . 102 ASN HN . 50650 1 469 . 1 . 1 102 102 ASN HA H 1 4.695 0.01 . 1 . . . . . 102 ASN HA . 50650 1 470 . 1 . 1 102 102 ASN C C 13 173.470 0.10 . 1 . . . . . 102 ASN CO . 50650 1 471 . 1 . 1 102 102 ASN CA C 13 54.388 0.10 . 1 . . . . . 102 ASN CA . 50650 1 472 . 1 . 1 102 102 ASN CB C 13 38.130 0.10 . 1 . . . . . 102 ASN CB . 50650 1 473 . 1 . 1 102 102 ASN N N 15 119.007 0.10 . 1 . . . . . 102 ASN N . 50650 1 474 . 1 . 1 103 103 VAL H H 1 8.316 0.01 . 1 . . . . . 103 VAL HN . 50650 1 475 . 1 . 1 103 103 VAL HA H 1 4.502 0.01 . 1 . . . . . 103 VAL HA . 50650 1 476 . 1 . 1 103 103 VAL C C 13 173.440 0.10 . 1 . . . . . 103 VAL CO . 50650 1 477 . 1 . 1 103 103 VAL CA C 13 60.370 0.10 . 1 . . . . . 103 VAL CA . 50650 1 478 . 1 . 1 103 103 VAL CB C 13 34.790 0.10 . 1 . . . . . 103 VAL CB . 50650 1 479 . 1 . 1 103 103 VAL N N 15 113.592 0.10 . 1 . . . . . 103 VAL N . 50650 1 480 . 1 . 1 104 104 VAL H H 1 7.877 0.01 . 1 . . . . . 104 VAL HN . 50650 1 481 . 1 . 1 104 104 VAL HA H 1 5.203 0.01 . 1 . . . . . 104 VAL HA . 50650 1 482 . 1 . 1 104 104 VAL C C 13 174.280 0.10 . 1 . . . . . 104 VAL CO . 50650 1 483 . 1 . 1 104 104 VAL CA C 13 60.808 0.10 . 1 . . . . . 104 VAL CA . 50650 1 484 . 1 . 1 104 104 VAL CB C 13 33.474 0.10 . 1 . . . . . 104 VAL CB . 50650 1 485 . 1 . 1 104 104 VAL N N 15 122.832 0.10 . 1 . . . . . 104 VAL N . 50650 1 486 . 1 . 1 105 105 VAL H H 1 8.993 0.01 . 1 . . . . . 105 VAL HN . 50650 1 487 . 1 . 1 105 105 VAL HA H 1 5.439 0.01 . 1 . . . . . 105 VAL HA . 50650 1 488 . 1 . 1 105 105 VAL C C 13 177.000 0.10 . 1 . . . . . 105 VAL CO . 50650 1 489 . 1 . 1 105 105 VAL CA C 13 57.876 0.10 . 1 . . . . . 105 VAL CA . 50650 1 490 . 1 . 1 105 105 VAL N N 15 119.638 0.10 . 1 . . . . . 105 VAL N . 50650 1 491 . 1 . 1 106 106 ALA H H 1 8.362 0.01 . 1 . . . . . 106 ALA HN . 50650 1 492 . 1 . 1 106 106 ALA HA H 1 5.015 0.01 . 1 . . . . . 106 ALA HA . 50650 1 493 . 1 . 1 106 106 ALA C C 13 177.010 0.10 . 1 . . . . . 106 ALA CO . 50650 1 494 . 1 . 1 106 106 ALA CA C 13 50.722 0.10 . 1 . . . . . 106 ALA CA . 50650 1 495 . 1 . 1 106 106 ALA CB C 13 21.685 0.10 . 1 . . . . . 106 ALA CB . 50650 1 496 . 1 . 1 106 106 ALA N N 15 120.646 0.10 . 1 . . . . . 106 ALA N . 50650 1 497 . 1 . 1 107 107 CYS H H 1 8.877 0.01 . 1 . . . . . 107 CYS HN . 50650 1 498 . 1 . 1 107 107 CYS HA H 1 5.542 0.01 . 1 . . . . . 107 CYS HA . 50650 1 499 . 1 . 1 107 107 CYS C C 13 176.366 0.10 . 1 . . . . . 107 CYS CO . 50650 1 500 . 1 . 1 107 107 CYS CA C 13 55.960 0.10 . 1 . . . . . 107 CYS CA . 50650 1 501 . 1 . 1 107 107 CYS CB C 13 48.255 0.10 . 1 . . . . . 107 CYS CB . 50650 1 502 . 1 . 1 107 107 CYS N N 15 119.690 0.10 . 1 . . . . . 107 CYS N . 50650 1 503 . 1 . 1 108 108 GLU H H 1 9.260 0.01 . 1 . . . . . 108 GLU HN . 50650 1 504 . 1 . 1 108 108 GLU HA H 1 4.469 0.01 . 1 . . . . . 108 GLU HA . 50650 1 505 . 1 . 1 108 108 GLU CA C 13 56.047 0.10 . 1 . . . . . 108 GLU CA . 50650 1 506 . 1 . 1 108 108 GLU N N 15 122.544 0.10 . 1 . . . . . 108 GLU N . 50650 1 507 . 1 . 1 109 109 ASN C C 13 172.570 0.10 . 1 . . . . . 109 ASN CO . 50650 1 508 . 1 . 1 109 109 ASN CA C 13 54.350 0.10 . 1 . . . . . 109 ASN CA . 50650 1 509 . 1 . 1 109 109 ASN CB C 13 37.770 0.10 . 1 . . . . . 109 ASN CB . 50650 1 510 . 1 . 1 110 110 GLY H H 1 8.691 0.01 . 1 . . . . . 110 GLY HN . 50650 1 511 . 1 . 1 110 110 GLY HA2 H 1 4.074 0.01 . 1 . . . . . 110 GLY HA . 50650 1 512 . 1 . 1 110 110 GLY HA3 H 1 4.074 0.01 . 1 . . . . . 110 GLY HA . 50650 1 513 . 1 . 1 110 110 GLY C C 13 174.120 0.10 . 1 . . . . . 110 GLY CO . 50650 1 514 . 1 . 1 110 110 GLY CA C 13 45.245 0.10 . 1 . . . . . 110 GLY CA . 50650 1 515 . 1 . 1 110 110 GLY N N 15 102.440 0.10 . 1 . . . . . 110 GLY N . 50650 1 516 . 1 . 1 111 111 LEU H H 1 7.464 0.01 . 1 . . . . . 111 LEU HN . 50650 1 517 . 1 . 1 111 111 LEU HA H 1 4.720 0.01 . 1 . . . . . 111 LEU HA . 50650 1 518 . 1 . 1 111 111 LEU CA C 13 56.016 0.10 . 1 . . . . . 111 LEU CA . 50650 1 519 . 1 . 1 111 111 LEU N N 15 118.491 0.10 . 1 . . . . . 111 LEU N . 50650 1 520 . 1 . 1 112 112 PRO C C 13 176.200 0.10 . 1 . . . . . 112 PRO CO . 50650 1 521 . 1 . 1 112 112 PRO CA C 13 62.045 0.10 . 1 . . . . . 112 PRO CA . 50650 1 522 . 1 . 1 112 112 PRO CB C 13 30.627 0.10 . 1 . . . . . 112 PRO CB . 50650 1 523 . 1 . 1 113 113 VAL H H 1 8.280 0.01 . 1 . . . . . 113 VAL HN . 50650 1 524 . 1 . 1 113 113 VAL HA H 1 4.687 0.01 . 1 . . . . . 113 VAL HA . 50650 1 525 . 1 . 1 113 113 VAL C C 13 172.760 0.10 . 1 . . . . . 113 VAL CO . 50650 1 526 . 1 . 1 113 113 VAL CA C 13 60.270 0.10 . 1 . . . . . 113 VAL CA . 50650 1 527 . 1 . 1 113 113 VAL CB C 13 34.741 0.10 . 1 . . . . . 113 VAL CB . 50650 1 528 . 1 . 1 113 113 VAL N N 15 107.200 0.10 . 1 . . . . . 113 VAL N . 50650 1 529 . 1 . 1 114 114 HIS H H 1 7.424 0.01 . 1 . . . . . 114 HIS HN . 50650 1 530 . 1 . 1 114 114 HIS HA H 1 5.261 0.01 . 1 . . . . . 114 HIS HA . 50650 1 531 . 1 . 1 114 114 HIS CA C 13 55.918 0.10 . 1 . . . . . 114 HIS CA . 50650 1 532 . 1 . 1 114 114 HIS N N 15 120.210 0.10 . 1 . . . . . 114 HIS N . 50650 1 533 . 1 . 1 115 115 LEU H H 1 7.807 0.01 . 1 . . . . . 115 LEU HN . 50650 1 534 . 1 . 1 115 115 LEU C C 13 176.070 0.10 . 1 . . . . . 115 LEU CO . 50650 1 535 . 1 . 1 115 115 LEU CA C 13 53.107 0.10 . 1 . . . . . 115 LEU CA . 50650 1 536 . 1 . 1 115 115 LEU CB C 13 44.012 0.10 . 1 . . . . . 115 LEU CB . 50650 1 537 . 1 . 1 115 115 LEU N N 15 114.913 0.10 . 1 . . . . . 115 LEU N . 50650 1 538 . 1 . 1 116 116 ASP H H 1 7.924 0.01 . 1 . . . . . 116 ASP HN . 50650 1 539 . 1 . 1 116 116 ASP HA H 1 4.654 0.01 . 1 . . . . . 116 ASP HA . 50650 1 540 . 1 . 1 116 116 ASP C C 13 173.760 0.10 . 1 . . . . . 116 ASP CO . 50650 1 541 . 1 . 1 116 116 ASP CA C 13 53.805 0.10 . 1 . . . . . 116 ASP CA . 50650 1 542 . 1 . 1 116 116 ASP CB C 13 40.372 0.10 . 1 . . . . . 116 ASP CB . 50650 1 543 . 1 . 1 116 116 ASP N N 15 124.144 0.10 . 1 . . . . . 116 ASP N . 50650 1 544 . 1 . 1 117 117 GLN H H 1 8.676 0.01 . 1 . . . . . 117 GLN HN . 50650 1 545 . 1 . 1 117 117 GLN HA H 1 4.697 0.01 . 1 . . . . . 117 GLN HA . 50650 1 546 . 1 . 1 117 117 GLN C C 13 174.840 0.10 . 1 . . . . . 117 GLN CO . 50650 1 547 . 1 . 1 117 117 GLN CA C 13 56.600 0.10 . 1 . . . . . 117 GLN CA . 50650 1 548 . 1 . 1 117 117 GLN CB C 13 29.771 0.10 . 1 . . . . . 117 GLN CB . 50650 1 549 . 1 . 1 117 117 GLN N N 15 125.682 0.10 . 1 . . . . . 117 GLN N . 50650 1 550 . 1 . 1 118 118 SER H H 1 8.583 0.01 . 1 . . . . . 118 SER HN . 50650 1 551 . 1 . 1 118 118 SER HA H 1 4.743 0.01 . 1 . . . . . 118 SER HA . 50650 1 552 . 1 . 1 118 118 SER C C 13 176.090 0.10 . 1 . . . . . 118 SER CO . 50650 1 553 . 1 . 1 118 118 SER CA C 13 62.061 0.10 . 1 . . . . . 118 SER CA . 50650 1 554 . 1 . 1 118 118 SER CB C 13 62.352 0.10 . 1 . . . . . 118 SER CB . 50650 1 555 . 1 . 1 118 118 SER N N 15 117.676 0.10 . 1 . . . . . 118 SER N . 50650 1 556 . 1 . 1 119 119 ILE H H 1 6.662 0.01 . 1 . . . . . 119 ILE HN . 50650 1 557 . 1 . 1 119 119 ILE HA H 1 4.011 0.01 . 1 . . . . . 119 ILE HA . 50650 1 558 . 1 . 1 119 119 ILE C C 13 175.250 0.10 . 1 . . . . . 119 ILE CO . 50650 1 559 . 1 . 1 119 119 ILE CA C 13 62.589 0.10 . 1 . . . . . 119 ILE CA . 50650 1 560 . 1 . 1 119 119 ILE CB C 13 37.063 0.10 . 1 . . . . . 119 ILE CB . 50650 1 561 . 1 . 1 119 119 ILE N N 15 115.529 0.10 . 1 . . . . . 119 ILE N . 50650 1 562 . 1 . 1 120 120 PHE H H 1 7.178 0.01 . 1 . . . . . 120 PHE HN . 50650 1 563 . 1 . 1 120 120 PHE HA H 1 4.641 0.01 . 1 . . . . . 120 PHE HA . 50650 1 564 . 1 . 1 120 120 PHE C C 13 175.650 0.10 . 1 . . . . . 120 PHE CO . 50650 1 565 . 1 . 1 120 120 PHE CA C 13 57.911 0.10 . 1 . . . . . 120 PHE CA . 50650 1 566 . 1 . 1 120 120 PHE CB C 13 39.626 0.10 . 1 . . . . . 120 PHE CB . 50650 1 567 . 1 . 1 120 120 PHE N N 15 117.777 0.10 . 1 . . . . . 120 PHE N . 50650 1 568 . 1 . 1 121 121 ARG HA H 1 4.134 0.01 . 1 . . . . . 121 ARG HA . 50650 1 569 . 1 . 1 121 121 ARG CA C 13 57.228 0.10 . 1 . . . . . 121 ARG CA . 50650 1 570 . 1 . 1 121 121 ARG N N 15 118.826 0.10 . 1 . . . . . 121 ARG N . 50650 1 stop_ save_