data_52150 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52150 _Entry.Title ; Solution structure of thioredoxin from Pisum sativum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-26 _Entry.Accession_date 2023-09-26 _Entry.Last_release_date 2023-09-26 _Entry.Original_release_date 2023-09-26 _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 'Jose Luis' Neira . . . . 52150 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52150 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 304 52150 '15N chemical shifts' 112 52150 '1H chemical shifts' 723 52150 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 . . 2024-02-22 2023-09-26 update BMRB 'update entry citation' 52150 1 . . 2024-02-08 2023-09-26 original author 'original release' 52150 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8QON 'Solution structure of thioredoxin from Pisum sativum' 52150 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52150 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38296131 _Citation.DOI 10.1016/j.ijbiomac.2024.129781 _Citation.Full_citation . _Citation.Title ; Three-dimensional solution structure, dynamics and binding of thioredoxin m from Pisum sativum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Biol. Macromol.' _Citation.Journal_name_full 'International journal of biological macromolecules' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-0003 _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 129781 _Citation.Page_last 129781 _Citation.Year 2024 _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 Jose Neira J. L. . . 52150 1 2 Martina Palomino-Schatzlein M. . . . 52150 1 3 Virginia Rejas V. . . . 52150 1 4 Jose Traverso J. A. . . 52150 1 5 Manual Rico M. . . . 52150 1 6 Julio Lopez-Gorge J. . . . 52150 1 7 Ana Chueca A. . . . 52150 1 8 Ana Camara-Artigas A. . . . 52150 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52150 _Assembly.ID 1 _Assembly.Name Thioredoxin _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 Thioredoxin 1 $entity_1 . . yes native no no . . . 52150 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52150 _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 ; AVNEVQVVNDSSWDELVIGS ETPVLVDFWAPWCGPCRMIA PIIDELAKEYAGKIKCYKLN TDESPNTATKYGIRSIPTVL FFKNGEKKDSVIGAVPKATL SEKVEKYI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Ala is the first. Ile is the last' _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 108 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Redox processes' 52150 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 . ALA . 52150 1 2 . VAL . 52150 1 3 . ASN . 52150 1 4 . GLU . 52150 1 5 . VAL . 52150 1 6 . GLN . 52150 1 7 . VAL . 52150 1 8 . VAL . 52150 1 9 . ASN . 52150 1 10 . ASP . 52150 1 11 . SER . 52150 1 12 . SER . 52150 1 13 . TRP . 52150 1 14 . ASP . 52150 1 15 . GLU . 52150 1 16 . LEU . 52150 1 17 . VAL . 52150 1 18 . ILE . 52150 1 19 . GLY . 52150 1 20 . SER . 52150 1 21 . GLU . 52150 1 22 . THR . 52150 1 23 . PRO . 52150 1 24 . VAL . 52150 1 25 . LEU . 52150 1 26 . VAL . 52150 1 27 . ASP . 52150 1 28 . PHE . 52150 1 29 . TRP . 52150 1 30 . ALA . 52150 1 31 . PRO . 52150 1 32 . TRP . 52150 1 33 . CYS . 52150 1 34 . GLY . 52150 1 35 . PRO . 52150 1 36 . CYS . 52150 1 37 . ARG . 52150 1 38 . MET . 52150 1 39 . ILE . 52150 1 40 . ALA . 52150 1 41 . PRO . 52150 1 42 . ILE . 52150 1 43 . ILE . 52150 1 44 . ASP . 52150 1 45 . GLU . 52150 1 46 . LEU . 52150 1 47 . ALA . 52150 1 48 . LYS . 52150 1 49 . GLU . 52150 1 50 . TYR . 52150 1 51 . ALA . 52150 1 52 . GLY . 52150 1 53 . LYS . 52150 1 54 . ILE . 52150 1 55 . LYS . 52150 1 56 . CYS . 52150 1 57 . TYR . 52150 1 58 . LYS . 52150 1 59 . LEU . 52150 1 60 . ASN . 52150 1 61 . THR . 52150 1 62 . ASP . 52150 1 63 . GLU . 52150 1 64 . SER . 52150 1 65 . PRO . 52150 1 66 . ASN . 52150 1 67 . THR . 52150 1 68 . ALA . 52150 1 69 . THR . 52150 1 70 . LYS . 52150 1 71 . TYR . 52150 1 72 . GLY . 52150 1 73 . ILE . 52150 1 74 . ARG . 52150 1 75 . SER . 52150 1 76 . ILE . 52150 1 77 . PRO . 52150 1 78 . THR . 52150 1 79 . VAL . 52150 1 80 . LEU . 52150 1 81 . PHE . 52150 1 82 . PHE . 52150 1 83 . LYS . 52150 1 84 . ASN . 52150 1 85 . GLY . 52150 1 86 . GLU . 52150 1 87 . LYS . 52150 1 88 . LYS . 52150 1 89 . ASP . 52150 1 90 . SER . 52150 1 91 . VAL . 52150 1 92 . ILE . 52150 1 93 . GLY . 52150 1 94 . ALA . 52150 1 95 . VAL . 52150 1 96 . PRO . 52150 1 97 . LYS . 52150 1 98 . ALA . 52150 1 99 . THR . 52150 1 100 . LEU . 52150 1 101 . SER . 52150 1 102 . GLU . 52150 1 103 . LYS . 52150 1 104 . VAL . 52150 1 105 . GLU . 52150 1 106 . LYS . 52150 1 107 . TYR . 52150 1 108 . ILE . 52150 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 . ALA 1 1 52150 1 . VAL 2 2 52150 1 . ASN 3 3 52150 1 . GLU 4 4 52150 1 . VAL 5 5 52150 1 . GLN 6 6 52150 1 . VAL 7 7 52150 1 . VAL 8 8 52150 1 . ASN 9 9 52150 1 . ASP 10 10 52150 1 . SER 11 11 52150 1 . SER 12 12 52150 1 . TRP 13 13 52150 1 . ASP 14 14 52150 1 . GLU 15 15 52150 1 . LEU 16 16 52150 1 . VAL 17 17 52150 1 . ILE 18 18 52150 1 . GLY 19 19 52150 1 . SER 20 20 52150 1 . GLU 21 21 52150 1 . THR 22 22 52150 1 . PRO 23 23 52150 1 . VAL 24 24 52150 1 . LEU 25 25 52150 1 . VAL 26 26 52150 1 . ASP 27 27 52150 1 . PHE 28 28 52150 1 . TRP 29 29 52150 1 . ALA 30 30 52150 1 . PRO 31 31 52150 1 . TRP 32 32 52150 1 . CYS 33 33 52150 1 . GLY 34 34 52150 1 . PRO 35 35 52150 1 . CYS 36 36 52150 1 . ARG 37 37 52150 1 . MET 38 38 52150 1 . ILE 39 39 52150 1 . ALA 40 40 52150 1 . PRO 41 41 52150 1 . ILE 42 42 52150 1 . ILE 43 43 52150 1 . ASP 44 44 52150 1 . GLU 45 45 52150 1 . LEU 46 46 52150 1 . ALA 47 47 52150 1 . LYS 48 48 52150 1 . GLU 49 49 52150 1 . TYR 50 50 52150 1 . ALA 51 51 52150 1 . GLY 52 52 52150 1 . LYS 53 53 52150 1 . ILE 54 54 52150 1 . LYS 55 55 52150 1 . CYS 56 56 52150 1 . TYR 57 57 52150 1 . LYS 58 58 52150 1 . LEU 59 59 52150 1 . ASN 60 60 52150 1 . THR 61 61 52150 1 . ASP 62 62 52150 1 . GLU 63 63 52150 1 . SER 64 64 52150 1 . PRO 65 65 52150 1 . ASN 66 66 52150 1 . THR 67 67 52150 1 . ALA 68 68 52150 1 . THR 69 69 52150 1 . LYS 70 70 52150 1 . TYR 71 71 52150 1 . GLY 72 72 52150 1 . ILE 73 73 52150 1 . ARG 74 74 52150 1 . SER 75 75 52150 1 . ILE 76 76 52150 1 . PRO 77 77 52150 1 . THR 78 78 52150 1 . VAL 79 79 52150 1 . LEU 80 80 52150 1 . PHE 81 81 52150 1 . PHE 82 82 52150 1 . LYS 83 83 52150 1 . ASN 84 84 52150 1 . GLY 85 85 52150 1 . GLU 86 86 52150 1 . LYS 87 87 52150 1 . LYS 88 88 52150 1 . ASP 89 89 52150 1 . SER 90 90 52150 1 . VAL 91 91 52150 1 . ILE 92 92 52150 1 . GLY 93 93 52150 1 . ALA 94 94 52150 1 . VAL 95 95 52150 1 . PRO 96 96 52150 1 . LYS 97 97 52150 1 . ALA 98 98 52150 1 . THR 99 99 52150 1 . LEU 100 100 52150 1 . SER 101 101 52150 1 . GLU 102 102 52150 1 . LYS 103 103 52150 1 . VAL 104 104 52150 1 . GLU 105 105 52150 1 . LYS 106 106 52150 1 . TYR 107 107 52150 1 . ILE 108 108 52150 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 52150 _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 . 3888 organism . 'Pisum sativum' 'garden pea' . . Eukaryota Viridiplantae Pisum sativum . . . . . . . . . . . . . 52150 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 52150 _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 BL21 . . plasmid . . pETm11 . . . 52150 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52150 _Sample.ID 1 _Sample.Name Thioredoxin _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 Thioredoxin 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 52150 1 2 Thioredoxin '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2 . . mM . . . . 52150 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52150 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 52150 _Sample_condition_list.ID 1 _Sample_condition_list.Name Thioredoxin _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' 0.050 . M 52150 1 pH 5.8 . pH 52150 1 pressure 1 . atm 52150 1 temperature 303 . K 52150 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52150 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52150 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52150 _Software.ID 2 _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 acquisition . 52150 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 52150 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance' _NMR_spectrometer.Details '500 MHz (acquired in 2001)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 52150 _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 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52150 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52150 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52150 1 4 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52150 1 5 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52150 1 6 '2d noesy' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52150 1 7 '2d tocsy' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52150 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52150 _Computing_platform.ID 1 _Computing_platform.Name Bruker _Computing_platform.Reference_ID . _Computing_platform.Site 'PC- Windows' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ save_computing_platform_2 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_2 _Computing_platform.Entry_ID 52150 _Computing_platform.ID 2 _Computing_platform.Name Sparky _Computing_platform.Reference_ID . _Computing_platform.Site 'PC- Windows' _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 52150 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name thioredoxin _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 . . . . . 52150 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52150 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52150 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 52150 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Thioredoxin _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 52150 1 2 '3D HNCO' . . . 52150 1 3 '3D HNCACB' . . . 52150 1 4 '3D HBHA(CO)NH' . . . 52150 1 5 '3D HCCH-TOCSY' . . . 52150 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 . . 52150 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 ALA H H 1 8.48 0.01 . 1 . . . . . 1 ALA H . 52150 1 2 . 1 . 1 1 1 ALA HA H 1 4.53 0.01 . 1 . . . . . 1 ALA HA . 52150 1 3 . 1 . 1 1 1 ALA HB1 H 1 1.48 0.01 . 1 . . . . . 1 ALA MB . 52150 1 4 . 1 . 1 1 1 ALA HB2 H 1 1.48 0.01 . 1 . . . . . 1 ALA MB . 52150 1 5 . 1 . 1 1 1 ALA HB3 H 1 1.48 0.01 . 1 . . . . . 1 ALA MB . 52150 1 6 . 1 . 1 1 1 ALA C C 13 177.53 0.01 . 1 . . . . . 1 ALA C . 52150 1 7 . 1 . 1 1 1 ALA CA C 13 52.01 0.01 . 1 . . . . . 1 ALA CA . 52150 1 8 . 1 . 1 1 1 ALA CB C 13 18.91 0.01 . 1 . . . . . 1 ALA CB . 52150 1 9 . 1 . 1 1 1 ALA N N 15 126.22 0.01 . 1 . . . . . 1 ALA N . 52150 1 10 . 1 . 1 2 2 VAL H H 1 8.26 0.01 . 1 . . . . . 2 VAL H . 52150 1 11 . 1 . 1 2 2 VAL HA H 1 4.73 0.01 . 1 . . . . . 2 VAL HA . 52150 1 12 . 1 . 1 2 2 VAL HB H 1 2.25 0.01 . 1 . . . . . 2 VAL HB . 52150 1 13 . 1 . 1 2 2 VAL HG11 H 1 1.18 0.01 . 2 . . . . . 2 VAL MG1 . 52150 1 14 . 1 . 1 2 2 VAL HG12 H 1 1.18 0.01 . 2 . . . . . 2 VAL MG1 . 52150 1 15 . 1 . 1 2 2 VAL HG13 H 1 1.18 0.01 . 2 . . . . . 2 VAL MG1 . 52150 1 16 . 1 . 1 2 2 VAL HG21 H 1 0.74 0.01 . 2 . . . . . 2 VAL MG2 . 52150 1 17 . 1 . 1 2 2 VAL HG22 H 1 0.74 0.01 . 2 . . . . . 2 VAL MG2 . 52150 1 18 . 1 . 1 2 2 VAL HG23 H 1 0.74 0.01 . 2 . . . . . 2 VAL MG2 . 52150 1 19 . 1 . 1 2 2 VAL C C 13 175.64 0.01 . 1 . . . . . 2 VAL C . 52150 1 20 . 1 . 1 2 2 VAL CA C 13 62.71 0.01 . 1 . . . . . 2 VAL CA . 52150 1 21 . 1 . 1 2 2 VAL CB C 13 33.1 0.01 . 1 . . . . . 2 VAL CB . 52150 1 22 . 1 . 1 2 2 VAL N N 15 119.03 0.01 . 1 . . . . . 2 VAL N . 52150 1 23 . 1 . 1 3 3 ASN H H 1 8.57 0.01 . 1 . . . . . 3 ASN H . 52150 1 24 . 1 . 1 3 3 ASN HA H 1 4.90 0.01 . 1 . . . . . 3 ASN HA . 52150 1 25 . 1 . 1 3 3 ASN HB2 H 1 2.85 0.01 . 2 . . . . . 3 ASN HB2 . 52150 1 26 . 1 . 1 3 3 ASN HB3 H 1 2.97 0.01 . 2 . . . . . 3 ASN HB3 . 52150 1 27 . 1 . 1 3 3 ASN HD21 H 1 6.96 0.01 . 2 . . . . . 3 ASN HD21 . 52150 1 28 . 1 . 1 3 3 ASN HD22 H 1 7.72 0.01 . 2 . . . . . 3 ASN HD22 . 52150 1 29 . 1 . 1 3 3 ASN C C 13 179.01 0.01 . 1 . . . . . 3 ASN C . 52150 1 30 . 1 . 1 3 3 ASN CA C 13 54.30 0.01 . 1 . . . . . 3 ASN CA . 52150 1 31 . 1 . 1 3 3 ASN CB C 13 35.01 0.01 . 1 . . . . . 3 ASN CB . 52150 1 32 . 1 . 1 3 3 ASN N N 15 124.47 0.01 . 1 . . . . . 3 ASN N . 52150 1 33 . 1 . 1 3 3 ASN ND2 N 15 111.95 0.01 . 1 . . . . . 3 ASN ND2 . 52150 1 34 . 1 . 1 4 4 GLU H H 1 7.88 0.01 . 1 . . . . . 4 GLU H . 52150 1 35 . 1 . 1 4 4 GLU HA H 1 4.49 0.01 . 1 . . . . . 4 GLU HA . 52150 1 36 . 1 . 1 4 4 GLU HB2 H 1 2.05 0.01 . 2 . . . . . 4 GLU HB2 . 52150 1 37 . 1 . 1 4 4 GLU HB3 H 1 1.95 0.01 . 2 . . . . . 4 GLU HB3 . 52150 1 38 . 1 . 1 4 4 GLU HG2 H 1 2.22 0.01 . 2 . . . . . 4 GLU HG2 . 52150 1 39 . 1 . 1 4 4 GLU HG3 H 1 2.54 0.01 . 2 . . . . . 4 GLU HG3 . 52150 1 40 . 1 . 1 4 4 GLU C C 13 175.91 0.01 . 1 . . . . . 4 GLU C . 52150 1 41 . 1 . 1 4 4 GLU CA C 13 55.51 0.01 . 1 . . . . . 4 GLU CA . 52150 1 42 . 1 . 1 4 4 GLU CB C 13 32.10 0.01 . 1 . . . . . 4 GLU CB . 52150 1 43 . 1 . 1 4 4 GLU N N 15 117.46 0.01 . 1 . . . . . 4 GLU N . 52150 1 44 . 1 . 1 5 5 VAL H H 1 8.60 0.01 . 1 . . . . . 5 VAL H . 52150 1 45 . 1 . 1 5 5 VAL HA H 1 3.94 0.01 . 1 . . . . . 5 VAL HA . 52150 1 46 . 1 . 1 5 5 VAL HB H 1 1.86 0.01 . 1 . . . . . 5 VAL HB . 52150 1 47 . 1 . 1 5 5 VAL HG11 H 1 0.72 0.01 . 2 . . . . . 5 VAL MG1 . 52150 1 48 . 1 . 1 5 5 VAL HG12 H 1 0.72 0.01 . 2 . . . . . 5 VAL MG1 . 52150 1 49 . 1 . 1 5 5 VAL HG13 H 1 0.72 0.01 . 2 . . . . . 5 VAL MG1 . 52150 1 50 . 1 . 1 5 5 VAL HG21 H 1 0.93 0.01 . 2 . . . . . 5 VAL MG2 . 52150 1 51 . 1 . 1 5 5 VAL HG22 H 1 0.93 0.01 . 2 . . . . . 5 VAL MG2 . 52150 1 52 . 1 . 1 5 5 VAL HG23 H 1 0.93 0.01 . 2 . . . . . 5 VAL MG2 . 52150 1 53 . 1 . 1 5 5 VAL C C 13 175.91 0.01 . 1 . . . . . 5 VAL C . 52150 1 54 . 1 . 1 5 5 VAL CA C 13 62.50 0.01 . 1 . . . . . 5 VAL CA . 52150 1 55 . 1 . 1 5 5 VAL CB C 13 31.61 0.01 . 1 . . . . . 5 VAL CB . 52150 1 56 . 1 . 1 5 5 VAL N N 15 123.72 0.01 . 1 . . . . . 5 VAL N . 52150 1 57 . 1 . 1 6 6 GLN H H 1 8.14 0.01 . 1 . . . . . 6 GLN H . 52150 1 58 . 1 . 1 6 6 GLN HA H 1 4.78 0.01 . 1 . . . . . 6 GLN HA . 52150 1 59 . 1 . 1 6 6 GLN HB2 H 1 2.06 0.01 . 2 . . . . . 6 GLN HB2 . 52150 1 60 . 1 . 1 6 6 GLN HB3 H 1 2.53 0.01 . 2 . . . . . 6 GLN HB3 . 52150 1 61 . 1 . 1 6 6 GLN HG2 H 1 2.36 0.01 . 2 . . . . . 6 GLN HG2 . 52150 1 62 . 1 . 1 6 6 GLN HG3 H 1 2.45 0.01 . 2 . . . . . 6 GLN HG3 . 52150 1 63 . 1 . 1 6 6 GLN C C 13 175.10 0.01 . 1 . . . . . 6 GLN C . 52150 1 64 . 1 . 1 6 6 GLN CA C 13 55.10 0.01 . 1 . . . . . 6 GLN CA . 52150 1 65 . 1 . 1 6 6 GLN N N 15 126.53 0.01 . 1 . . . . . 6 GLN N . 52150 1 66 . 1 . 1 7 7 VAL H H 1 8.54 0.01 . 1 . . . . . 7 VAL H . 52150 1 67 . 1 . 1 7 7 VAL HA H 1 4.51 0.01 . 1 . . . . . 7 VAL HA . 52150 1 68 . 1 . 1 7 7 VAL HB H 1 2.17 0.01 . 1 . . . . . 7 VAL HB . 52150 1 69 . 1 . 1 7 7 VAL HG11 H 1 1.15 0.01 . 2 . . . . . 7 VAL MG1 . 52150 1 70 . 1 . 1 7 7 VAL HG12 H 1 1.15 0.01 . 2 . . . . . 7 VAL MG1 . 52150 1 71 . 1 . 1 7 7 VAL HG13 H 1 1.15 0.01 . 2 . . . . . 7 VAL MG1 . 52150 1 72 . 1 . 1 7 7 VAL HG21 H 1 1.25 0.01 . 2 . . . . . 7 VAL MG2 . 52150 1 73 . 1 . 1 7 7 VAL HG22 H 1 1.25 0.01 . 2 . . . . . 7 VAL MG2 . 52150 1 74 . 1 . 1 7 7 VAL HG23 H 1 1.25 0.01 . 2 . . . . . 7 VAL MG2 . 52150 1 75 . 1 . 1 7 7 VAL C C 13 175.59 0.01 . 1 . . . . . 7 VAL C . 52150 1 76 . 1 . 1 7 7 VAL CA C 13 63.12 0.01 . 1 . . . . . 7 VAL CA . 52150 1 77 . 1 . 1 7 7 VAL CB C 13 33.4 0.01 . 1 . . . . . 7 VAL CB . 52150 1 78 . 1 . 1 7 7 VAL N N 15 121.47 0.01 . 1 . . . . . 7 VAL N . 52150 1 79 . 1 . 1 8 8 VAL H H 1 8.59 0.01 . 1 . . . . . 8 VAL H . 52150 1 80 . 1 . 1 8 8 VAL HA H 1 4.53 0.01 . 1 . . . . . 8 VAL HA . 52150 1 81 . 1 . 1 8 8 VAL HB H 1 1.55 0.01 . 1 . . . . . 8 VAL HB . 52150 1 82 . 1 . 1 8 8 VAL HG11 H 1 0.88 0.01 . 2 . . . . . 8 VAL MG1 . 52150 1 83 . 1 . 1 8 8 VAL HG12 H 1 0.88 0.01 . 2 . . . . . 8 VAL MG1 . 52150 1 84 . 1 . 1 8 8 VAL HG13 H 1 0.88 0.01 . 2 . . . . . 8 VAL MG1 . 52150 1 85 . 1 . 1 8 8 VAL HG21 H 1 1.06 0.01 . 2 . . . . . 8 VAL MG2 . 52150 1 86 . 1 . 1 8 8 VAL HG22 H 1 1.06 0.01 . 2 . . . . . 8 VAL MG2 . 52150 1 87 . 1 . 1 8 8 VAL HG23 H 1 1.06 0.01 . 2 . . . . . 8 VAL MG2 . 52150 1 88 . 1 . 1 8 8 VAL C C 13 171.54 0.01 . 1 . . . . . 8 VAL C . 52150 1 89 . 1 . 1 8 8 VAL CA C 13 58.9 0.01 . 1 . . . . . 8 VAL CA . 52150 1 90 . 1 . 1 8 8 VAL CB C 13 34.9 0.01 . 1 . . . . . 8 VAL CB . 52150 1 91 . 1 . 1 8 8 VAL N N 15 124.03 0.01 . 1 . . . . . 8 VAL N . 52150 1 92 . 1 . 1 9 9 ASN H H 1 7.78 0.01 . 1 . . . . . 9 ASN H . 52150 1 93 . 1 . 1 9 9 ASN HA H 1 5.23 0.01 . 1 . . . . . 9 ASN HA . 52150 1 94 . 1 . 1 9 9 ASN HB2 H 1 2.82 0.01 . 2 . . . . . 9 ASN HB2 . 52150 1 95 . 1 . 1 9 9 ASN HB3 H 1 3.54 0.01 . 2 . . . . . 9 ASN HB3 . 52150 1 96 . 1 . 1 9 9 ASN HD21 H 1 7.02 0.01 . 2 . . . . . 9 ASN HD21 . 52150 1 97 . 1 . 1 9 9 ASN HD22 H 1 7.68 0.01 . 2 . . . . . 9 ASN HD22 . 52150 1 98 . 1 . 1 9 9 ASN C C 13 175.26 0.01 . 1 . . . . . 9 ASN C . 52150 1 99 . 1 . 1 9 9 ASN CA C 13 52.10 0.01 . 1 . . . . . 9 ASN CA . 52150 1 100 . 1 . 1 9 9 ASN CB C 13 40.2 0.01 . 1 . . . . . 9 ASN CB . 52150 1 101 . 1 . 1 9 9 ASN N N 15 123.10 0.01 . 1 . . . . . 9 ASN N . 52150 1 102 . 1 . 1 9 9 ASN ND2 N 15 111.6 0.01 . 1 . . . . . 9 ASN ND2 . 52150 1 103 . 1 . 1 10 10 ASP H H 1 8.16 0.01 . 1 . . . . . 10 ASP H . 52150 1 104 . 1 . 1 10 10 ASP HA H 1 4.65 0.01 . 1 . . . . . 10 ASP HA . 52150 1 105 . 1 . 1 10 10 ASP HB2 H 1 2.80 0.01 . 2 . . . . . 10 ASP HB2 . 52150 1 106 . 1 . 1 10 10 ASP HB3 H 1 2.94 0.01 . 2 . . . . . 10 ASP HB3 . 52150 1 107 . 1 . 1 10 10 ASP C C 13 178.70 0.01 . 1 . . . . . 10 ASP C . 52150 1 108 . 1 . 1 10 10 ASP CA C 13 57.88 0.01 . 1 . . . . . 10 ASP CA . 52150 1 109 . 1 . 1 10 10 ASP CB C 13 40.83 0.01 . 1 . . . . . 10 ASP CB . 52150 1 110 . 1 . 1 10 10 ASP N N 15 115.59 0.01 . 1 . . . . . 10 ASP N . 52150 1 111 . 1 . 1 11 11 SER H H 1 8.41 0.01 . 1 . . . . . 11 SER H . 52150 1 112 . 1 . 1 11 11 SER HA H 1 4.46 0.01 . 1 . . . . . 11 SER HA . 52150 1 113 . 1 . 1 11 11 SER HB2 H 1 4.02 0.01 . 2 . . . . . 11 SER HB2 . 52150 1 114 . 1 . 1 11 11 SER HB3 H 1 4.12 0.01 . 2 . . . . . 11 SER HB3 . 52150 1 115 . 1 . 1 11 11 SER C C 13 175.32 0.01 . 1 . . . . . 11 SER C . 52150 1 116 . 1 . 1 11 11 SER CA C 13 60.41 0.01 . 1 . . . . . 11 SER CA . 52150 1 117 . 1 . 1 11 11 SER CB C 13 63.21 0.01 . 1 . . . . . 11 SER CB . 52150 1 118 . 1 . 1 11 11 SER N N 15 113.19 0.01 . 1 . . . . . 11 SER N . 52150 1 119 . 1 . 1 12 12 SER H H 1 8.17 0.01 . 1 . . . . . 12 SER H . 52150 1 120 . 1 . 1 12 12 SER HA H 1 4.92 0.01 . 1 . . . . . 12 SER HA . 52150 1 121 . 1 . 1 12 12 SER HB2 H 1 3.90 0.01 . 2 . . . . . 12 SER HB2 . 52150 1 122 . 1 . 1 12 12 SER HB3 H 1 4.29 0.01 . 2 . . . . . 12 SER HB3 . 52150 1 123 . 1 . 1 12 12 SER C C 13 174.45 0.01 . 1 . . . . . 12 SER C . 52150 1 124 . 1 . 1 12 12 SER CA C 13 60.21 0.01 . 1 . . . . . 12 SER CA . 52150 1 125 . 1 . 1 12 12 SER CB C 13 64.56 0.01 . 1 . . . . . 12 SER CB . 52150 1 126 . 1 . 1 12 12 SER N N 15 115.04 0.01 . 1 . . . . . 12 SER N . 52150 1 127 . 1 . 1 13 13 TRP H H 1 7.83 0.01 . 1 . . . . . 13 TRP H . 52150 1 128 . 1 . 1 13 13 TRP HA H 1 3.73 0.01 . 1 . . . . . 13 TRP HA . 52150 1 129 . 1 . 1 13 13 TRP HB2 H 1 3.16 0.01 . 2 . . . . . 13 TRP HB2 . 52150 1 130 . 1 . 1 13 13 TRP HB3 H 1 3.62 0.01 . 2 . . . . . 13 TRP HB3 . 52150 1 131 . 1 . 1 13 13 TRP HD1 H 1 7.22 0.01 . 1 . . . . . 13 TRP HD1 . 52150 1 132 . 1 . 1 13 13 TRP HE1 H 1 9.22 0.01 . 1 . . . . . 13 TRP HE1 . 52150 1 133 . 1 . 1 13 13 TRP HE3 H 1 6.72 0.01 . 1 . . . . . 13 TRP HE3 . 52150 1 134 . 1 . 1 13 13 TRP HZ2 H 1 6.86 0.01 . 1 . . . . . 13 TRP HZ2 . 52150 1 135 . 1 . 1 13 13 TRP HZ3 H 1 6.57 0.01 . 1 . . . . . 13 TRP HZ3 . 52150 1 136 . 1 . 1 13 13 TRP HH2 H 1 6.61 0.01 . 1 . . . . . 13 TRP HH2 . 52150 1 137 . 1 . 1 13 13 TRP C C 13 177.48 0.01 . 1 . . . . . 13 TRP C . 52150 1 138 . 1 . 1 13 13 TRP CA C 13 61.3 0.01 . 1 . . . . . 13 TRP CA . 52150 1 139 . 1 . 1 13 13 TRP CB C 13 29.5 0.01 . 1 . . . . . 13 TRP CB . 52150 1 140 . 1 . 1 13 13 TRP N N 15 124.34 0.01 . 1 . . . . . 13 TRP N . 52150 1 141 . 1 . 1 13 13 TRP NE1 N 15 126.15 0.01 . 1 . . . . . 13 TRP NE1 . 52150 1 142 . 1 . 1 14 14 ASP H H 1 8.87 0.01 . 1 . . . . . 14 ASP H . 52150 1 143 . 1 . 1 14 14 ASP HA H 1 4.38 0.01 . 1 . . . . . 14 ASP HA . 52150 1 144 . 1 . 1 14 14 ASP HB2 H 1 2.62 0.01 . 2 . . . . . 14 ASP HB2 . 52150 1 145 . 1 . 1 14 14 ASP HB3 H 1 2.79 0.01 . 2 . . . . . 14 ASP HB3 . 52150 1 146 . 1 . 1 14 14 ASP C C 13 176.57 0.01 . 1 . . . . . 14 ASP C . 52150 1 147 . 1 . 1 14 14 ASP CA C 13 57.77 0.01 . 1 . . . . . 14 ASP CA . 52150 1 148 . 1 . 1 14 14 ASP CB C 13 39.54 0.01 . 1 . . . . . 14 ASP CB . 52150 1 149 . 1 . 1 14 14 ASP N N 15 118.50 0.01 . 1 . . . . . 14 ASP N . 52150 1 150 . 1 . 1 15 15 GLU H H 1 8.22 0.01 . 1 . . . . . 15 GLU H . 52150 1 151 . 1 . 1 15 15 GLU HA H 1 4.28 0.01 . 1 . . . . . 15 GLU HA . 52150 1 152 . 1 . 1 15 15 GLU HB2 H 1 1.96 0.01 . 2 . . . . . 15 GLU HB2 . 52150 1 153 . 1 . 1 15 15 GLU HB3 H 1 2.11 0.01 . 2 . . . . . 15 GLU HB3 . 52150 1 154 . 1 . 1 15 15 GLU HG2 H 1 1.90 0.01 . 2 . . . . . 15 GLU HG2 . 52150 1 155 . 1 . 1 15 15 GLU HG3 H 1 2.31 0.01 . 2 . . . . . 15 GLU HG3 . 52150 1 156 . 1 . 1 15 15 GLU C C 13 177.69 0.01 . 1 . . . . . 15 GLU C . 52150 1 157 . 1 . 1 15 15 GLU CA C 13 58.60 0.01 . 1 . . . . . 15 GLU CA . 52150 1 158 . 1 . 1 15 15 GLU CB C 13 30.10 0.01 . 1 . . . . . 15 GLU CB . 52150 1 159 . 1 . 1 15 15 GLU N N 15 120.59 0.01 . 1 . . . . . 15 GLU N . 52150 1 160 . 1 . 1 16 16 LEU H H 1 8.05 0.01 . 1 . . . . . 16 LEU H . 52150 1 161 . 1 . 1 16 16 LEU HA H 1 4.04 0.01 . 1 . . . . . 16 LEU HA . 52150 1 162 . 1 . 1 16 16 LEU HB2 H 1 1.82 0.01 . 2 . . . . . 16 LEU HB2 . 52150 1 163 . 1 . 1 16 16 LEU HB3 H 1 1.95 0.01 . 2 . . . . . 16 LEU HB3 . 52150 1 164 . 1 . 1 16 16 LEU HG H 1 1.54 0.01 . 1 . . . . . 16 LEU HG . 52150 1 165 . 1 . 1 16 16 LEU HD11 H 1 0.83 0.01 . 2 . . . . . 16 LEU MD1 . 52150 1 166 . 1 . 1 16 16 LEU HD12 H 1 0.83 0.01 . 2 . . . . . 16 LEU MD1 . 52150 1 167 . 1 . 1 16 16 LEU HD13 H 1 0.83 0.01 . 2 . . . . . 16 LEU MD1 . 52150 1 168 . 1 . 1 16 16 LEU HD21 H 1 1.20 0.01 . 2 . . . . . 16 LEU MD2 . 52150 1 169 . 1 . 1 16 16 LEU HD22 H 1 1.20 0.01 . 2 . . . . . 16 LEU MD2 . 52150 1 170 . 1 . 1 16 16 LEU HD23 H 1 1.20 0.01 . 2 . . . . . 16 LEU MD2 . 52150 1 171 . 1 . 1 16 16 LEU C C 13 177.15 0.01 . 1 . . . . . 16 LEU C . 52150 1 172 . 1 . 1 16 16 LEU CA C 13 56.2 0.01 . 1 . . . . . 16 LEU CA . 52150 1 173 . 1 . 1 16 16 LEU CB C 13 40.60 0.01 . 1 . . . . . 16 LEU CB . 52150 1 174 . 1 . 1 16 16 LEU N N 15 114.97 0.01 . 1 . . . . . 16 LEU N . 52150 1 175 . 1 . 1 17 17 VAL H H 1 7.74 0.01 . 1 . . . . . 17 VAL H . 52150 1 176 . 1 . 1 17 17 VAL HA H 1 3.61 0.01 . 1 . . . . . 17 VAL HA . 52150 1 177 . 1 . 1 17 17 VAL HB H 1 0.21 0.01 . 1 . . . . . 17 VAL HB . 52150 1 178 . 1 . 1 17 17 VAL HG11 H 1 -0.80 0.01 . 2 . . . . . 17 VAL MG1 . 52150 1 179 . 1 . 1 17 17 VAL HG12 H 1 -0.80 0.01 . 2 . . . . . 17 VAL MG1 . 52150 1 180 . 1 . 1 17 17 VAL HG13 H 1 -0.80 0.01 . 2 . . . . . 17 VAL MG1 . 52150 1 181 . 1 . 1 17 17 VAL HG21 H 1 -0.52 0.01 . 2 . . . . . 17 VAL MG2 . 52150 1 182 . 1 . 1 17 17 VAL HG22 H 1 -0.52 0.01 . 2 . . . . . 17 VAL MG2 . 52150 1 183 . 1 . 1 17 17 VAL HG23 H 1 -0.52 0.01 . 2 . . . . . 17 VAL MG2 . 52150 1 184 . 1 . 1 17 17 VAL C C 13 176.91 0.01 . 1 . . . . . 17 VAL C . 52150 1 185 . 1 . 1 17 17 VAL CA C 13 63.40 0.01 . 1 . . . . . 17 VAL CA . 52150 1 186 . 1 . 1 17 17 VAL CB C 13 30.80 0.01 . 1 . . . . . 17 VAL CB . 52150 1 187 . 1 . 1 17 17 VAL N N 15 115.53 0.01 . 1 . . . . . 17 VAL N . 52150 1 188 . 1 . 1 18 18 ILE H H 1 6.58 0.01 . 1 . . . . . 18 ILE H . 52150 1 189 . 1 . 1 18 18 ILE HA H 1 3.49 0.01 . 1 . . . . . 18 ILE HA . 52150 1 190 . 1 . 1 18 18 ILE HB H 1 2.56 0.01 . 1 . . . . . 18 ILE HB . 52150 1 191 . 1 . 1 18 18 ILE HG12 H 1 1.48 0.01 . 2 . . . . . 18 ILE HG12 . 52150 1 192 . 1 . 1 18 18 ILE HG13 H 1 1.67 0.01 . 2 . . . . . 18 ILE HG13 . 52150 1 193 . 1 . 1 18 18 ILE HG21 H 1 0.89 0.01 . 1 . . . . . 18 ILE MG . 52150 1 194 . 1 . 1 18 18 ILE HG22 H 1 0.89 0.01 . 1 . . . . . 18 ILE MG . 52150 1 195 . 1 . 1 18 18 ILE HG23 H 1 0.89 0.01 . 1 . . . . . 18 ILE MG . 52150 1 196 . 1 . 1 18 18 ILE HD11 H 1 1.08 0.01 . 1 . . . . . 18 ILE MD . 52150 1 197 . 1 . 1 18 18 ILE HD12 H 1 1.08 0.01 . 1 . . . . . 18 ILE MD . 52150 1 198 . 1 . 1 18 18 ILE HD13 H 1 1.08 0.01 . 1 . . . . . 18 ILE MD . 52150 1 199 . 1 . 1 18 18 ILE C C 13 177.75 0.01 . 1 . . . . . 18 ILE C . 52150 1 200 . 1 . 1 18 18 ILE CA C 13 62.05 0.01 . 1 . . . . . 18 ILE CA . 52150 1 201 . 1 . 1 18 18 ILE CB C 13 34.20 0.01 . 1 . . . . . 18 ILE CB . 52150 1 202 . 1 . 1 18 18 ILE N N 15 118.02 0.01 . 1 . . . . . 18 ILE N . 52150 1 203 . 1 . 1 19 19 GLY H H 1 7.51 0.01 . 1 . . . . . 19 GLY H . 52150 1 204 . 1 . 1 19 19 GLY HA2 H 1 3.73 0.01 . 2 . . . . . 19 GLY HA2 . 52150 1 205 . 1 . 1 19 19 GLY HA3 H 1 4.21 0.01 . 2 . . . . . 19 GLY HA3 . 52150 1 206 . 1 . 1 19 19 GLY C C 13 174.22 0.01 . 1 . . . . . 19 GLY C . 52150 1 207 . 1 . 1 19 19 GLY CA C 13 44.70 0.01 . 1 . . . . . 19 GLY CA . 52150 1 208 . 1 . 1 19 19 GLY N N 15 102.78 0.01 . 1 . . . . . 19 GLY N . 52150 1 209 . 1 . 1 20 20 SER H H 1 6.48 0.01 . 1 . . . . . 20 SER H . 52150 1 210 . 1 . 1 20 20 SER HA H 1 4.31 0.01 . 1 . . . . . 20 SER HA . 52150 1 211 . 1 . 1 20 20 SER HB2 H 1 3.87 0.01 . 2 . . . . . 20 SER HB2 . 52150 1 212 . 1 . 1 20 20 SER HB3 H 1 3.95 0.01 . 2 . . . . . 20 SER HB3 . 52150 1 213 . 1 . 1 20 20 SER C C 13 176.87 0.01 . 1 . . . . . 20 SER C . 52150 1 214 . 1 . 1 20 20 SER CA C 13 57.75 0.01 . 1 . . . . . 20 SER CA . 52150 1 215 . 1 . 1 20 20 SER CB C 13 63.85 0.01 . 1 . . . . . 20 SER CB . 52150 1 216 . 1 . 1 20 20 SER N N 15 111.21 0.01 . 1 . . . . . 20 SER N . 52150 1 217 . 1 . 1 21 21 GLU H H 1 9.43 0.01 . 1 . . . . . 21 GLU H . 52150 1 218 . 1 . 1 21 21 GLU HA H 1 4.54 0.01 . 1 . . . . . 21 GLU HA . 52150 1 219 . 1 . 1 21 21 GLU HB2 H 1 2.21 0.01 . 2 . . . . . 21 GLU HB2 . 52150 1 220 . 1 . 1 21 21 GLU HB3 H 1 2.34 0.01 . 2 . . . . . 21 GLU HB3 . 52150 1 221 . 1 . 1 21 21 GLU HG2 H 1 2.43 0.01 . 2 . . . . . 21 GLU HG2 . 52150 1 222 . 1 . 1 21 21 GLU HG3 H 1 2.54 0.01 . 2 . . . . . 21 GLU HG3 . 52150 1 223 . 1 . 1 21 21 GLU C C 13 176.72 0.01 . 1 . . . . . 21 GLU C . 52150 1 224 . 1 . 1 21 21 GLU CA C 13 57.50 0.01 . 1 . . . . . 21 GLU CA . 52150 1 225 . 1 . 1 21 21 GLU CB C 13 29.60 0.01 . 1 . . . . . 21 GLU CB . 52150 1 226 . 1 . 1 21 21 GLU N N 15 129.61 0.01 . 1 . . . . . 21 GLU N . 52150 1 227 . 1 . 1 22 22 THR H H 1 7.78 0.01 . 1 . . . . . 22 THR H . 52150 1 228 . 1 . 1 22 22 THR HA H 1 4.97 0.01 . 1 . . . . . 22 THR HA . 52150 1 229 . 1 . 1 22 22 THR HB H 1 4.29 0.01 . 1 . . . . . 22 THR HB . 52150 1 230 . 1 . 1 22 22 THR HG21 H 1 1.35 0.01 . 1 . . . . . 22 THR MG . 52150 1 231 . 1 . 1 22 22 THR HG22 H 1 1.35 0.01 . 1 . . . . . 22 THR MG . 52150 1 232 . 1 . 1 22 22 THR HG23 H 1 1.35 0.01 . 1 . . . . . 22 THR MG . 52150 1 233 . 1 . 1 22 22 THR CA C 13 59.8 0.01 . 1 . . . . . 22 THR CA . 52150 1 234 . 1 . 1 22 22 THR CB C 13 70.1 0.01 . 1 . . . . . 22 THR CB . 52150 1 235 . 1 . 1 22 22 THR N N 15 113.27 0.01 . 1 . . . . . 22 THR N . 52150 1 236 . 1 . 1 23 23 PRO HA H 1 5.03 0.01 . 1 . . . . . 23 PRO HA . 52150 1 237 . 1 . 1 23 23 PRO HB2 H 1 2.53 0.01 . 2 . . . . . 23 PRO HB2 . 52150 1 238 . 1 . 1 23 23 PRO HB3 H 1 2.45 0.01 . 2 . . . . . 23 PRO HB3 . 52150 1 239 . 1 . 1 23 23 PRO HG2 H 1 2.69 0.01 . 2 . . . . . 23 PRO HG2 . 52150 1 240 . 1 . 1 23 23 PRO HG3 H 1 2.86 0.01 . 2 . . . . . 23 PRO HG3 . 52150 1 241 . 1 . 1 23 23 PRO HD2 H 1 4.14 0.01 . 2 . . . . . 23 PRO HD2 . 52150 1 242 . 1 . 1 23 23 PRO HD3 H 1 4.33 0.01 . 2 . . . . . 23 PRO HD3 . 52150 1 243 . 1 . 1 23 23 PRO C C 13 174.77 0.01 . 1 . . . . . 23 PRO C . 52150 1 244 . 1 . 1 23 23 PRO CA C 13 63.80 0.01 . 1 . . . . . 23 PRO CA . 52150 1 245 . 1 . 1 23 23 PRO CB C 13 31.60 0.01 . 1 . . . . . 23 PRO CB . 52150 1 246 . 1 . 1 23 23 PRO N N 15 137.37 0.01 . 1 . . . . . 23 PRO N . 52150 1 247 . 1 . 1 24 24 VAL H H 1 8.95 0.01 . 1 . . . . . 24 VAL H . 52150 1 248 . 1 . 1 24 24 VAL HA H 1 5.27 0.01 . 1 . . . . . 24 VAL HA . 52150 1 249 . 1 . 1 24 24 VAL HB H 1 1.99 0.01 . 1 . . . . . 24 VAL HB . 52150 1 250 . 1 . 1 24 24 VAL HG11 H 1 1.05 0.01 . 2 . . . . . 24 VAL MG1 . 52150 1 251 . 1 . 1 24 24 VAL HG12 H 1 1.05 0.01 . 2 . . . . . 24 VAL MG1 . 52150 1 252 . 1 . 1 24 24 VAL HG13 H 1 1.05 0.01 . 2 . . . . . 24 VAL MG1 . 52150 1 253 . 1 . 1 24 24 VAL HG21 H 1 1.26 0.01 . 2 . . . . . 24 VAL MG2 . 52150 1 254 . 1 . 1 24 24 VAL HG22 H 1 1.26 0.01 . 2 . . . . . 24 VAL MG2 . 52150 1 255 . 1 . 1 24 24 VAL HG23 H 1 1.26 0.01 . 2 . . . . . 24 VAL MG2 . 52150 1 256 . 1 . 1 24 24 VAL C C 13 174.22 0.01 . 1 . . . . . 24 VAL C . 52150 1 257 . 1 . 1 24 24 VAL CA C 13 60.10 0.01 . 1 . . . . . 24 VAL CA . 52150 1 258 . 1 . 1 24 24 VAL CB C 13 36.90 0.01 . 1 . . . . . 24 VAL CB . 52150 1 259 . 1 . 1 24 24 VAL N N 15 120.88 0.01 . 1 . . . . . 24 VAL N . 52150 1 260 . 1 . 1 25 25 LEU H H 1 9.08 0.01 . 1 . . . . . 25 LEU H . 52150 1 261 . 1 . 1 25 25 LEU HA H 1 5.03 0.01 . 1 . . . . . 25 LEU HA . 52150 1 262 . 1 . 1 25 25 LEU HB2 H 1 1.64 0.01 . 2 . . . . . 25 LEU HB2 . 52150 1 263 . 1 . 1 25 25 LEU HB3 H 1 1.72 0.01 . 2 . . . . . 25 LEU HB3 . 52150 1 264 . 1 . 1 25 25 LEU HG H 1 1.33 0.01 . 1 . . . . . 25 LEU HG . 52150 1 265 . 1 . 1 25 25 LEU HD11 H 1 1.16 0.01 . 2 . . . . . 25 LEU MD1 . 52150 1 266 . 1 . 1 25 25 LEU HD12 H 1 1.16 0.01 . 2 . . . . . 25 LEU MD1 . 52150 1 267 . 1 . 1 25 25 LEU HD13 H 1 1.16 0.01 . 2 . . . . . 25 LEU MD1 . 52150 1 268 . 1 . 1 25 25 LEU HD21 H 1 1.31 0.01 . 2 . . . . . 25 LEU MD2 . 52150 1 269 . 1 . 1 25 25 LEU HD22 H 1 1.31 0.01 . 2 . . . . . 25 LEU MD2 . 52150 1 270 . 1 . 1 25 25 LEU HD23 H 1 1.31 0.01 . 2 . . . . . 25 LEU MD2 . 52150 1 271 . 1 . 1 25 25 LEU C C 13 175.64 0.01 . 1 . . . . . 25 LEU C . 52150 1 272 . 1 . 1 25 25 LEU CA C 13 56.63 0.01 . 1 . . . . . 25 LEU CA . 52150 1 273 . 1 . 1 25 25 LEU CB C 13 39.40 0.01 . 1 . . . . . 25 LEU CB . 52150 1 274 . 1 . 1 25 25 LEU N N 15 128.48 0.01 . 1 . . . . . 25 LEU N . 52150 1 275 . 1 . 1 26 26 VAL H H 1 9.27 0.01 . 1 . . . . . 26 VAL H . 52150 1 276 . 1 . 1 26 26 VAL HA H 1 4.94 0.01 . 1 . . . . . 26 VAL HA . 52150 1 277 . 1 . 1 26 26 VAL HB H 1 2.21 0.01 . 1 . . . . . 26 VAL HB . 52150 1 278 . 1 . 1 26 26 VAL HG11 H 1 0.52 0.01 . 2 . . . . . 26 VAL MG1 . 52150 1 279 . 1 . 1 26 26 VAL HG12 H 1 0.52 0.01 . 2 . . . . . 26 VAL MG1 . 52150 1 280 . 1 . 1 26 26 VAL HG13 H 1 0.52 0.01 . 2 . . . . . 26 VAL MG1 . 52150 1 281 . 1 . 1 26 26 VAL HG21 H 1 0.80 0.01 . 2 . . . . . 26 VAL MG2 . 52150 1 282 . 1 . 1 26 26 VAL HG22 H 1 0.80 0.01 . 2 . . . . . 26 VAL MG2 . 52150 1 283 . 1 . 1 26 26 VAL HG23 H 1 0.80 0.01 . 2 . . . . . 26 VAL MG2 . 52150 1 284 . 1 . 1 26 26 VAL C C 13 174.17 0.01 . 1 . . . . . 26 VAL C . 52150 1 285 . 1 . 1 26 26 VAL CA C 13 60.50 0.01 . 1 . . . . . 26 VAL CA . 52150 1 286 . 1 . 1 26 26 VAL CB C 13 34.70 0.01 . 1 . . . . . 26 VAL CB . 52150 1 287 . 1 . 1 26 26 VAL N N 15 122.39 0.01 . 1 . . . . . 26 VAL N . 52150 1 288 . 1 . 1 27 27 ASP H H 1 9.16 0.01 . 1 . . . . . 27 ASP H . 52150 1 289 . 1 . 1 27 27 ASP HA H 1 5.27 0.01 . 1 . . . . . 27 ASP HA . 52150 1 290 . 1 . 1 27 27 ASP HB2 H 1 2.42 0.01 . 2 . . . . . 27 ASP HB2 . 52150 1 291 . 1 . 1 27 27 ASP HB3 H 1 3.00 0.01 . 2 . . . . . 27 ASP HB3 . 52150 1 292 . 1 . 1 27 27 ASP C C 13 174.17 0.01 . 1 . . . . . 27 ASP C . 52150 1 293 . 1 . 1 27 27 ASP CA C 13 52.01 0.01 . 1 . . . . . 27 ASP CA . 52150 1 294 . 1 . 1 27 27 ASP CB C 13 39.43 0.01 . 1 . . . . . 27 ASP CB . 52150 1 295 . 1 . 1 27 27 ASP N N 15 126.22 0.01 . 1 . . . . . 27 ASP N . 52150 1 296 . 1 . 1 28 28 PHE H H 1 9.77 0.01 . 1 . . . . . 28 PHE H . 52150 1 297 . 1 . 1 28 28 PHE HA H 1 5.52 0.01 . 1 . . . . . 28 PHE HA . 52150 1 298 . 1 . 1 28 28 PHE HB2 H 1 2.72 0.01 . 2 . . . . . 28 PHE HB2 . 52150 1 299 . 1 . 1 28 28 PHE HB3 H 1 3.70 0.01 . 2 . . . . . 28 PHE HB3 . 52150 1 300 . 1 . 1 28 28 PHE HD1 H 1 7.44 0.01 . 3 . . . . . 28 PHE HD1 . 52150 1 301 . 1 . 1 28 28 PHE HD2 H 1 7.44 0.01 . 3 . . . . . 28 PHE HD2 . 52150 1 302 . 1 . 1 28 28 PHE HE1 H 1 7.05 0.01 . 3 . . . . . 28 PHE HE1 . 52150 1 303 . 1 . 1 28 28 PHE HE2 H 1 7.05 0.01 . 3 . . . . . 28 PHE HE2 . 52150 1 304 . 1 . 1 28 28 PHE HZ H 1 7.19 0.01 . 1 . . . . . 28 PHE HZ . 52150 1 305 . 1 . 1 28 28 PHE C C 13 173.95 0.01 . 1 . . . . . 28 PHE C . 52150 1 306 . 1 . 1 28 28 PHE CA C 13 57.40 0.01 . 1 . . . . . 28 PHE CA . 52150 1 307 . 1 . 1 28 28 PHE CB C 13 44.70 0.01 . 1 . . . . . 28 PHE CB . 52150 1 308 . 1 . 1 28 28 PHE N N 15 129.06 0.01 . 1 . . . . . 28 PHE N . 52150 1 309 . 1 . 1 29 29 TRP H H 1 9.28 0.01 . 1 . . . . . 29 TRP H . 52150 1 310 . 1 . 1 29 29 TRP HA H 1 5.21 0.01 . 1 . . . . . 29 TRP HA . 52150 1 311 . 1 . 1 29 29 TRP HB2 H 1 3.07 0.01 . 2 . . . . . 29 TRP HB2 . 52150 1 312 . 1 . 1 29 29 TRP HB3 H 1 3.16 0.01 . 2 . . . . . 29 TRP HB3 . 52150 1 313 . 1 . 1 29 29 TRP HD1 H 1 7.37 0.01 . 1 . . . . . 29 TRP HD1 . 52150 1 314 . 1 . 1 29 29 TRP HE1 H 1 10.46 0.01 . 1 . . . . . 29 TRP HE1 . 52150 1 315 . 1 . 1 29 29 TRP HE3 H 1 6.95 0.01 . 1 . . . . . 29 TRP HE3 . 52150 1 316 . 1 . 1 29 29 TRP HZ2 H 1 7.63 0.01 . 1 . . . . . 29 TRP HZ2 . 52150 1 317 . 1 . 1 29 29 TRP HZ3 H 1 7.16 0.01 . 1 . . . . . 29 TRP HZ3 . 52150 1 318 . 1 . 1 29 29 TRP HH2 H 1 7.36 0.01 . 1 . . . . . 29 TRP HH2 . 52150 1 319 . 1 . 1 29 29 TRP C C 13 170.73 0.01 . 1 . . . . . 29 TRP C . 52150 1 320 . 1 . 1 29 29 TRP CA C 13 54.92 0.01 . 1 . . . . . 29 TRP CA . 52150 1 321 . 1 . 1 29 29 TRP CB C 13 32.80 0.01 . 1 . . . . . 29 TRP CB . 52150 1 322 . 1 . 1 29 29 TRP N N 15 122.39 0.01 . 1 . . . . . 29 TRP N . 52150 1 323 . 1 . 1 29 29 TRP NE1 N 15 129.89 0.01 . 1 . . . . . 29 TRP NE1 . 52150 1 324 . 1 . 1 30 30 ALA H H 1 6.52 0.01 . 1 . . . . . 30 ALA H . 52150 1 325 . 1 . 1 30 30 ALA HA H 1 3.40 0.01 . 1 . . . . . 30 ALA HA . 52150 1 326 . 1 . 1 30 30 ALA HB1 H 1 0.47 0.01 . 1 . . . . . 30 ALA MB . 52150 1 327 . 1 . 1 30 30 ALA HB2 H 1 0.47 0.01 . 1 . . . . . 30 ALA MB . 52150 1 328 . 1 . 1 30 30 ALA HB3 H 1 0.47 0.01 . 1 . . . . . 30 ALA MB . 52150 1 329 . 1 . 1 30 30 ALA N N 15 115.90 0.01 . 1 . . . . . 30 ALA N . 52150 1 330 . 1 . 1 31 31 PRO HA H 1 4.49 0.01 . 1 . . . . . 31 PRO HA . 52150 1 331 . 1 . 1 31 31 PRO HB2 H 1 2.07 0.01 . 2 . . . . . 31 PRO HB2 . 52150 1 332 . 1 . 1 31 31 PRO HB3 H 1 2.20 0.01 . 2 . . . . . 31 PRO HB3 . 52150 1 333 . 1 . 1 31 31 PRO HG2 H 1 2.39 0.01 . 2 . . . . . 31 PRO HG2 . 52150 1 334 . 1 . 1 31 31 PRO HG3 H 1 2.68 0.01 . 2 . . . . . 31 PRO HG3 . 52150 1 335 . 1 . 1 31 31 PRO HD2 H 1 3.24 0.01 . 2 . . . . . 31 PRO HD2 . 52150 1 336 . 1 . 1 31 31 PRO HD3 H 1 3.53 0.01 . 2 . . . . . 31 PRO HD3 . 52150 1 337 . 1 . 1 31 31 PRO C C 13 175.77 0.01 . 1 . . . . . 31 PRO C . 52150 1 338 . 1 . 1 31 31 PRO CA C 13 65.80 0.01 . 1 . . . . . 31 PRO CA . 52150 1 339 . 1 . 1 31 31 PRO CB C 13 32.05 0.01 . 1 . . . . . 31 PRO CB . 52150 1 340 . 1 . 1 31 31 PRO N N 15 135.90 0.01 . 1 . . . . . 31 PRO N . 52150 1 341 . 1 . 1 32 32 TRP H H 1 6.48 0.01 . 1 . . . . . 32 TRP H . 52150 1 342 . 1 . 1 32 32 TRP HA H 1 4.88 0.01 . 1 . . . . . 32 TRP HA . 52150 1 343 . 1 . 1 32 32 TRP HB2 H 1 3.32 0.01 . 2 . . . . . 32 TRP HB2 . 52150 1 344 . 1 . 1 32 32 TRP HB3 H 1 3.78 0.01 . 2 . . . . . 32 TRP HB3 . 52150 1 345 . 1 . 1 32 32 TRP HD1 H 1 7.51 0.01 . 1 . . . . . 32 TRP HD1 . 52150 1 346 . 1 . 1 32 32 TRP HE1 H 1 11.58 0.01 . 1 . . . . . 32 TRP HE1 . 52150 1 347 . 1 . 1 32 32 TRP HE3 H 1 7.49 0.01 . 1 . . . . . 32 TRP HE3 . 52150 1 348 . 1 . 1 32 32 TRP HZ2 H 1 7.59 0.01 . 1 . . . . . 32 TRP HZ2 . 52150 1 349 . 1 . 1 32 32 TRP HZ3 H 1 7.24 0.01 . 1 . . . . . 32 TRP HZ3 . 52150 1 350 . 1 . 1 32 32 TRP HH2 H 1 7.34 0.01 . 1 . . . . . 32 TRP HH2 . 52150 1 351 . 1 . 1 32 32 TRP C C 13 175.96 0.01 . 1 . . . . . 32 TRP C . 52150 1 352 . 1 . 1 32 32 TRP CA C 13 53.31 0.01 . 1 . . . . . 32 TRP CA . 52150 1 353 . 1 . 1 32 32 TRP CB C 13 28.72 0.01 . 1 . . . . . 32 TRP CB . 52150 1 354 . 1 . 1 32 32 TRP N N 15 111.21 0.01 . 1 . . . . . 32 TRP N . 52150 1 355 . 1 . 1 32 32 TRP NE1 N 15 135.98 0.01 . 1 . . . . . 32 TRP NE1 . 52150 1 356 . 1 . 1 33 33 CYS H H 1 7.05 0.01 . 1 . . . . . 33 CYS H . 52150 1 357 . 1 . 1 33 33 CYS HA H 1 4.70 0.01 . 1 . . . . . 33 CYS HA . 52150 1 358 . 1 . 1 33 33 CYS HB2 H 1 2.91 0.01 . 2 . . . . . 33 CYS HB2 . 52150 1 359 . 1 . 1 33 33 CYS HB3 H 1 3.23 0.01 . 2 . . . . . 33 CYS HB3 . 52150 1 360 . 1 . 1 33 33 CYS CA C 13 53.40 0.01 . 1 . . . . . 33 CYS CA . 52150 1 361 . 1 . 1 33 33 CYS CB C 13 44.90 0.01 . 1 . . . . . 33 CYS CB . 52150 1 362 . 1 . 1 33 33 CYS N N 15 120.59 0.01 . 1 . . . . . 33 CYS N . 52150 1 363 . 1 . 1 34 34 GLY H H 1 9.80 0.01 . 1 . . . . . 34 GLY H . 52150 1 364 . 1 . 1 34 34 GLY HA2 H 1 4.16 0.01 . 2 . . . . . 34 GLY HA2 . 52150 1 365 . 1 . 1 34 34 GLY HA3 H 1 4.42 0.01 . 2 . . . . . 34 GLY HA3 . 52150 1 366 . 1 . 1 35 35 PRO HA H 1 4.63 0.01 . 1 . . . . . 35 PRO HA . 52150 1 367 . 1 . 1 35 35 PRO HB2 H 1 1.93 0.01 . 2 . . . . . 35 PRO HB2 . 52150 1 368 . 1 . 1 35 35 PRO HG2 H 1 2.44 0.01 . 2 . . . . . 35 PRO HG2 . 52150 1 369 . 1 . 1 35 35 PRO HG3 H 1 2.46 0.01 . 2 . . . . . 35 PRO HG3 . 52150 1 370 . 1 . 1 35 35 PRO HD2 H 1 4.21 0.01 . 2 . . . . . 35 PRO HD2 . 52150 1 371 . 1 . 1 35 35 PRO HD3 H 1 3.99 0.01 . 2 . . . . . 35 PRO HD3 . 52150 1 372 . 1 . 1 35 35 PRO C C 13 178.09 0.01 . 1 . . . . . 35 PRO C . 52150 1 373 . 1 . 1 35 35 PRO CA C 13 64.30 0.01 . 1 . . . . . 35 PRO CA . 52150 1 374 . 1 . 1 35 35 PRO CB C 13 31.40 0.01 . 1 . . . . . 35 PRO CB . 52150 1 375 . 1 . 1 35 35 PRO N N 15 138.80 0.01 . 1 . . . . . 35 PRO N . 52150 1 376 . 1 . 1 36 36 CYS H H 1 8.27 0.01 . 1 . . . . . 36 CYS H . 52150 1 377 . 1 . 1 36 36 CYS HA H 1 4.55 0.01 . 1 . . . . . 36 CYS HA . 52150 1 378 . 1 . 1 36 36 CYS HB2 H 1 3.59 0.01 . 2 . . . . . 36 CYS HB2 . 52150 1 379 . 1 . 1 36 36 CYS HB3 H 1 4.10 0.01 . 2 . . . . . 36 CYS HB3 . 52150 1 380 . 1 . 1 36 36 CYS C C 13 177.76 0.01 . 1 . . . . . 36 CYS C . 52150 1 381 . 1 . 1 36 36 CYS CA C 13 58.60 0.01 . 1 . . . . . 36 CYS CA . 52150 1 382 . 1 . 1 36 36 CYS CB C 13 35.2 0.01 . 1 . . . . . 36 CYS CB . 52150 1 383 . 1 . 1 36 36 CYS N N 15 111.21 0.01 . 1 . . . . . 36 CYS N . 52150 1 384 . 1 . 1 37 37 ARG H H 1 8.17 0.01 . 1 . . . . . 37 ARG H . 52150 1 385 . 1 . 1 37 37 ARG HA H 1 3.88 0.01 . 1 . . . . . 37 ARG HA . 52150 1 386 . 1 . 1 37 37 ARG HB2 H 1 1.70 0.01 . 2 . . . . . 37 ARG HB2 . 52150 1 387 . 1 . 1 37 37 ARG HB3 H 1 2.18 0.01 . 2 . . . . . 37 ARG HB3 . 52150 1 388 . 1 . 1 37 37 ARG HG2 H 1 1.30 0.01 . 2 . . . . . 37 ARG HG2 . 52150 1 389 . 1 . 1 37 37 ARG HG3 H 1 1.60 0.01 . 2 . . . . . 37 ARG HG3 . 52150 1 390 . 1 . 1 37 37 ARG C C 13 178.14 0.01 . 1 . . . . . 37 ARG C . 52150 1 391 . 1 . 1 37 37 ARG CA C 13 58.40 0.01 . 1 . . . . . 37 ARG CA . 52150 1 392 . 1 . 1 37 37 ARG CB C 13 29.70 0.01 . 1 . . . . . 37 ARG CB . 52150 1 393 . 1 . 1 37 37 ARG N N 15 114.96 0.01 . 1 . . . . . 37 ARG N . 52150 1 394 . 1 . 1 38 38 MET H H 1 7.51 0.01 . 1 . . . . . 38 MET H . 52150 1 395 . 1 . 1 38 38 MET HA H 1 4.12 0.01 . 1 . . . . . 38 MET HA . 52150 1 396 . 1 . 1 38 38 MET HB2 H 1 2.37 0.01 . 2 . . . . . 38 MET HB2 . 52150 1 397 . 1 . 1 38 38 MET HB3 H 1 2.83 0.01 . 2 . . . . . 38 MET HB3 . 52150 1 398 . 1 . 1 38 38 MET HG2 H 1 2.36 0.01 . 2 . . . . . 38 MET HG2 . 52150 1 399 . 1 . 1 38 38 MET HG3 H 1 2.79 0.01 . 2 . . . . . 38 MET HG3 . 52150 1 400 . 1 . 1 38 38 MET HE1 H 1 2.06 0.01 . 1 . . . . . 38 MET ME . 52150 1 401 . 1 . 1 38 38 MET HE2 H 1 2.06 0.01 . 1 . . . . . 38 MET ME . 52150 1 402 . 1 . 1 38 38 MET HE3 H 1 2.06 0.01 . 1 . . . . . 38 MET ME . 52150 1 403 . 1 . 1 38 38 MET C C 13 177.92 0.01 . 1 . . . . . 38 MET C . 52150 1 404 . 1 . 1 38 38 MET CA C 13 57.30 0.01 . 1 . . . . . 38 MET CA . 52150 1 405 . 1 . 1 38 38 MET CB C 13 31.92 0.01 . 1 . . . . . 38 MET CB . 52150 1 406 . 1 . 1 38 38 MET N N 15 114.96 0.01 . 1 . . . . . 38 MET N . 52150 1 407 . 1 . 1 39 39 ILE H H 1 7.23 0.01 . 1 . . . . . 39 ILE H . 52150 1 408 . 1 . 1 39 39 ILE HA H 1 4.53 0.01 . 1 . . . . . 39 ILE HA . 52150 1 409 . 1 . 1 39 39 ILE HB H 1 2.16 0.01 . 1 . . . . . 39 ILE HB . 52150 1 410 . 1 . 1 39 39 ILE HG12 H 1 1.54 0.01 . 2 . . . . . 39 ILE HG12 . 52150 1 411 . 1 . 1 39 39 ILE HG13 H 1 1.22 0.01 . 2 . . . . . 39 ILE HG13 . 52150 1 412 . 1 . 1 39 39 ILE HG21 H 1 0.84 0.01 . 1 . . . . . 39 ILE MG . 52150 1 413 . 1 . 1 39 39 ILE HG22 H 1 0.84 0.01 . 1 . . . . . 39 ILE MG . 52150 1 414 . 1 . 1 39 39 ILE HG23 H 1 0.84 0.01 . 1 . . . . . 39 ILE MG . 52150 1 415 . 1 . 1 39 39 ILE HD11 H 1 1.07 0.01 . 1 . . . . . 39 ILE MD . 52150 1 416 . 1 . 1 39 39 ILE HD12 H 1 1.07 0.01 . 1 . . . . . 39 ILE MD . 52150 1 417 . 1 . 1 39 39 ILE HD13 H 1 1.07 0.01 . 1 . . . . . 39 ILE MD . 52150 1 418 . 1 . 1 39 39 ILE C C 13 176.83 0.01 . 1 . . . . . 39 ILE C . 52150 1 419 . 1 . 1 39 39 ILE CA C 13 60.61 0.01 . 1 . . . . . 39 ILE CA . 52150 1 420 . 1 . 1 39 39 ILE CB C 13 39.02 0.01 . 1 . . . . . 39 ILE CB . 52150 1 421 . 1 . 1 39 39 ILE N N 15 113.42 0.01 . 1 . . . . . 39 ILE N . 52150 1 422 . 1 . 1 40 40 ALA H H 1 7.37 0.01 . 1 . . . . . 40 ALA H . 52150 1 423 . 1 . 1 40 40 ALA HA H 1 4.03 0.01 . 1 . . . . . 40 ALA HA . 52150 1 424 . 1 . 1 40 40 ALA HB1 H 1 1.46 0.01 . 1 . . . . . 40 ALA MB . 52150 1 425 . 1 . 1 40 40 ALA HB2 H 1 1.46 0.01 . 1 . . . . . 40 ALA MB . 52150 1 426 . 1 . 1 40 40 ALA HB3 H 1 1.46 0.01 . 1 . . . . . 40 ALA MB . 52150 1 427 . 1 . 1 40 40 ALA CA C 13 57.02 0.01 . 1 . . . . . 40 ALA CA . 52150 1 428 . 1 . 1 40 40 ALA CB C 13 15.43 0.01 . 1 . . . . . 40 ALA CB . 52150 1 429 . 1 . 1 40 40 ALA N N 15 125.28 0.01 . 1 . . . . . 40 ALA N . 52150 1 430 . 1 . 1 41 41 PRO HA H 1 4.61 0.01 . 1 . . . . . 41 PRO HA . 52150 1 431 . 1 . 1 41 41 PRO HB2 H 1 1.87 0.01 . 2 . . . . . 41 PRO HB2 . 52150 1 432 . 1 . 1 41 41 PRO HB3 H 1 2.03 0.01 . 2 . . . . . 41 PRO HB3 . 52150 1 433 . 1 . 1 41 41 PRO HG2 H 1 2.48 0.01 . 2 . . . . . 41 PRO HG2 . 52150 1 434 . 1 . 1 41 41 PRO HD2 H 1 3.79 0.01 . 2 . . . . . 41 PRO HD2 . 52150 1 435 . 1 . 1 41 41 PRO HD3 H 1 3.88 0.01 . 2 . . . . . 41 PRO HD3 . 52150 1 436 . 1 . 1 41 41 PRO C C 13 179.39 0.01 . 1 . . . . . 41 PRO C . 52150 1 437 . 1 . 1 41 41 PRO CA C 13 64.83 0.01 . 1 . . . . . 41 PRO CA . 52150 1 438 . 1 . 1 41 41 PRO CB C 13 30.81 0.01 . 1 . . . . . 41 PRO CB . 52150 1 439 . 1 . 1 41 41 PRO N N 15 134.60 0.01 . 1 . . . . . 41 PRO N . 52150 1 440 . 1 . 1 42 42 ILE H H 1 7.16 0.01 . 1 . . . . . 42 ILE H . 52150 1 441 . 1 . 1 42 42 ILE HA H 1 3.91 0.01 . 1 . . . . . 42 ILE HA . 52150 1 442 . 1 . 1 42 42 ILE HB H 1 2.21 0.01 . 1 . . . . . 42 ILE HB . 52150 1 443 . 1 . 1 42 42 ILE HG12 H 1 1.32 0.01 . 2 . . . . . 42 ILE HG12 . 52150 1 444 . 1 . 1 42 42 ILE HG13 H 1 1.44 0.01 . 2 . . . . . 42 ILE HG13 . 52150 1 445 . 1 . 1 42 42 ILE HG21 H 1 1.07 0.01 . 1 . . . . . 42 ILE MG . 52150 1 446 . 1 . 1 42 42 ILE HG22 H 1 1.07 0.01 . 1 . . . . . 42 ILE MG . 52150 1 447 . 1 . 1 42 42 ILE HG23 H 1 1.07 0.01 . 1 . . . . . 42 ILE MG . 52150 1 448 . 1 . 1 42 42 ILE HD11 H 1 0.97 0.01 . 1 . . . . . 42 ILE MD . 52150 1 449 . 1 . 1 42 42 ILE HD12 H 1 0.97 0.01 . 1 . . . . . 42 ILE MD . 52150 1 450 . 1 . 1 42 42 ILE HD13 H 1 0.97 0.01 . 1 . . . . . 42 ILE MD . 52150 1 451 . 1 . 1 42 42 ILE C C 13 178.03 0.01 . 1 . . . . . 42 ILE C . 52150 1 452 . 1 . 1 42 42 ILE CA C 13 64.30 0.01 . 1 . . . . . 42 ILE CA . 52150 1 453 . 1 . 1 42 42 ILE CB C 13 37.52 0.01 . 1 . . . . . 42 ILE CB . 52150 1 454 . 1 . 1 42 42 ILE N N 15 117.70 0.01 . 1 . . . . . 42 ILE N . 52150 1 455 . 1 . 1 43 43 ILE H H 1 7.84 0.01 . 1 . . . . . 43 ILE H . 52150 1 456 . 1 . 1 43 43 ILE HA H 1 3.71 0.01 . 1 . . . . . 43 ILE HA . 52150 1 457 . 1 . 1 43 43 ILE HB H 1 2.28 0.01 . 1 . . . . . 43 ILE HB . 52150 1 458 . 1 . 1 43 43 ILE HG12 H 1 1.30 0.01 . 2 . . . . . 43 ILE HG12 . 52150 1 459 . 1 . 1 43 43 ILE HG13 H 1 1.76 0.01 . 2 . . . . . 43 ILE HG13 . 52150 1 460 . 1 . 1 43 43 ILE HG21 H 1 0.72 0.01 . 1 . . . . . 43 ILE MG . 52150 1 461 . 1 . 1 43 43 ILE HG22 H 1 0.72 0.01 . 1 . . . . . 43 ILE MG . 52150 1 462 . 1 . 1 43 43 ILE HG23 H 1 0.72 0.01 . 1 . . . . . 43 ILE MG . 52150 1 463 . 1 . 1 43 43 ILE HD11 H 1 0.91 0.01 . 1 . . . . . 43 ILE MD . 52150 1 464 . 1 . 1 43 43 ILE HD12 H 1 0.91 0.01 . 1 . . . . . 43 ILE MD . 52150 1 465 . 1 . 1 43 43 ILE HD13 H 1 0.91 0.01 . 1 . . . . . 43 ILE MD . 52150 1 466 . 1 . 1 43 43 ILE C C 13 177.54 0.01 . 1 . . . . . 43 ILE C . 52150 1 467 . 1 . 1 43 43 ILE CA C 13 62.70 0.01 . 1 . . . . . 43 ILE CA . 52150 1 468 . 1 . 1 43 43 ILE CB C 13 34.30 0.01 . 1 . . . . . 43 ILE CB . 52150 1 469 . 1 . 1 43 43 ILE N N 15 119.18 0.01 . 1 . . . . . 43 ILE N . 52150 1 470 . 1 . 1 44 44 ASP H H 1 7.52 0.01 . 1 . . . . . 44 ASP H . 52150 1 471 . 1 . 1 44 44 ASP HA H 1 4.34 0.01 . 1 . . . . . 44 ASP HA . 52150 1 472 . 1 . 1 44 44 ASP HB2 H 1 2.71 0.01 . 2 . . . . . 44 ASP HB2 . 52150 1 473 . 1 . 1 44 44 ASP HB3 H 1 2.86 0.01 . 2 . . . . . 44 ASP HB3 . 52150 1 474 . 1 . 1 44 44 ASP C C 13 178.08 0.01 . 1 . . . . . 44 ASP C . 52150 1 475 . 1 . 1 44 44 ASP CA C 13 57.50 0.01 . 1 . . . . . 44 ASP CA . 52150 1 476 . 1 . 1 44 44 ASP CB C 13 40.40 0.01 . 1 . . . . . 44 ASP CB . 52150 1 477 . 1 . 1 44 44 ASP N N 15 118.50 0.01 . 1 . . . . . 44 ASP N . 52150 1 478 . 1 . 1 45 45 GLU H H 1 7.79 0.01 . 1 . . . . . 45 GLU H . 52150 1 479 . 1 . 1 45 45 GLU HA H 1 4.13 0.01 . 1 . . . . . 45 GLU HA . 52150 1 480 . 1 . 1 45 45 GLU HB2 H 1 2.00 0.01 . 2 . . . . . 45 GLU HB2 . 52150 1 481 . 1 . 1 45 45 GLU HB3 H 1 2.17 0.01 . 2 . . . . . 45 GLU HB3 . 52150 1 482 . 1 . 1 45 45 GLU HG2 H 1 2.35 0.01 . 2 . . . . . 45 GLU HG2 . 52150 1 483 . 1 . 1 45 45 GLU HG3 H 1 2.71 0.01 . 2 . . . . . 45 GLU HG3 . 52150 1 484 . 1 . 1 45 45 GLU C C 13 179.39 0.01 . 1 . . . . . 45 GLU C . 52150 1 485 . 1 . 1 45 45 GLU CA C 13 58.80 0.01 . 1 . . . . . 45 GLU CA . 52150 1 486 . 1 . 1 45 45 GLU CB C 13 29.54 0.01 . 1 . . . . . 45 GLU CB . 52150 1 487 . 1 . 1 45 45 GLU N N 15 119.18 0.01 . 1 . . . . . 45 GLU N . 52150 1 488 . 1 . 1 46 46 LEU H H 1 8.64 0.01 . 1 . . . . . 46 LEU H . 52150 1 489 . 1 . 1 46 46 LEU HA H 1 4.23 0.01 . 1 . . . . . 46 LEU HA . 52150 1 490 . 1 . 1 46 46 LEU HB2 H 1 1.89 0.01 . 2 . . . . . 46 LEU HB2 . 52150 1 491 . 1 . 1 46 46 LEU HB3 H 1 2.06 0.01 . 2 . . . . . 46 LEU HB3 . 52150 1 492 . 1 . 1 46 46 LEU HG H 1 1.39 0.01 . 1 . . . . . 46 LEU HG . 52150 1 493 . 1 . 1 46 46 LEU HD11 H 1 0.89 0.01 . 2 . . . . . 46 LEU MD1 . 52150 1 494 . 1 . 1 46 46 LEU HD12 H 1 0.89 0.01 . 2 . . . . . 46 LEU MD1 . 52150 1 495 . 1 . 1 46 46 LEU HD13 H 1 0.89 0.01 . 2 . . . . . 46 LEU MD1 . 52150 1 496 . 1 . 1 46 46 LEU HD21 H 1 1.07 0.01 . 2 . . . . . 46 LEU MD2 . 52150 1 497 . 1 . 1 46 46 LEU HD22 H 1 1.07 0.01 . 2 . . . . . 46 LEU MD2 . 52150 1 498 . 1 . 1 46 46 LEU HD23 H 1 1.07 0.01 . 2 . . . . . 46 LEU MD2 . 52150 1 499 . 1 . 1 46 46 LEU C C 13 175.85 0.01 . 1 . . . . . 46 LEU C . 52150 1 500 . 1 . 1 46 46 LEU CA C 13 54.30 0.01 . 1 . . . . . 46 LEU CA . 52150 1 501 . 1 . 1 46 46 LEU CB C 13 41.50 0.01 . 1 . . . . . 46 LEU CB . 52150 1 502 . 1 . 1 46 46 LEU N N 15 120.47 0.01 . 1 . . . . . 46 LEU N . 52150 1 503 . 1 . 1 47 47 ALA H H 1 8.52 0.01 . 1 . . . . . 47 ALA H . 52150 1 504 . 1 . 1 47 47 ALA HA H 1 4.10 0.01 . 1 . . . . . 47 ALA HA . 52150 1 505 . 1 . 1 47 47 ALA HB1 H 1 1.45 0.01 . 1 . . . . . 47 ALA MB . 52150 1 506 . 1 . 1 47 47 ALA HB2 H 1 1.45 0.01 . 1 . . . . . 47 ALA MB . 52150 1 507 . 1 . 1 47 47 ALA HB3 H 1 1.45 0.01 . 1 . . . . . 47 ALA MB . 52150 1 508 . 1 . 1 47 47 ALA C C 13 180.09 0.01 . 1 . . . . . 47 ALA C . 52150 1 509 . 1 . 1 47 47 ALA CA C 13 54.70 0.01 . 1 . . . . . 47 ALA CA . 52150 1 510 . 1 . 1 47 47 ALA CB C 13 18.60 0.01 . 1 . . . . . 47 ALA CB . 52150 1 511 . 1 . 1 47 47 ALA N N 15 121.34 0.01 . 1 . . . . . 47 ALA N . 52150 1 512 . 1 . 1 48 48 LYS H H 1 7.28 0.01 . 1 . . . . . 48 LYS H . 52150 1 513 . 1 . 1 48 48 LYS HA H 1 4.28 0.01 . 1 . . . . . 48 LYS HA . 52150 1 514 . 1 . 1 48 48 LYS HB2 H 1 1.98 0.01 . 2 . . . . . 48 LYS HB2 . 52150 1 515 . 1 . 1 48 48 LYS HB3 H 1 2.07 0.01 . 2 . . . . . 48 LYS HB3 . 52150 1 516 . 1 . 1 48 48 LYS HG2 H 1 1.49 0.01 . 4 . . . . . 48 LYS HG2 . 52150 1 517 . 1 . 1 48 48 LYS C C 13 179.51 0.01 . 1 . . . . . 48 LYS C . 52150 1 518 . 1 . 1 48 48 LYS CA C 13 58.30 0.01 . 1 . . . . . 48 LYS CA . 52150 1 519 . 1 . 1 48 48 LYS CB C 13 32.60 0.01 . 1 . . . . . 48 LYS CB . 52150 1 520 . 1 . 1 48 48 LYS N N 15 114.93 0.01 . 1 . . . . . 48 LYS N . 52150 1 521 . 1 . 1 49 49 GLU H H 1 8.67 0.01 . 1 . . . . . 49 GLU H . 52150 1 522 . 1 . 1 49 49 GLU HA H 1 3.94 0.01 . 1 . . . . . 49 GLU HA . 52150 1 523 . 1 . 1 49 49 GLU HB2 H 1 1.73 0.01 . 2 . . . . . 49 GLU HB2 . 52150 1 524 . 1 . 1 49 49 GLU HB3 H 1 2.07 0.01 . 2 . . . . . 49 GLU HB3 . 52150 1 525 . 1 . 1 49 49 GLU HG2 H 1 2.30 0.01 . 2 . . . . . 49 GLU HG2 . 52150 1 526 . 1 . 1 49 49 GLU C C 13 178.25 0.01 . 1 . . . . . 49 GLU C . 52150 1 527 . 1 . 1 49 49 GLU CA C 13 58.90 0.01 . 1 . . . . . 49 GLU CA . 52150 1 528 . 1 . 1 49 49 GLU CB C 13 30.05 0.01 . 1 . . . . . 49 GLU CB . 52150 1 529 . 1 . 1 49 49 GLU N N 15 121.08 0.01 . 1 . . . . . 49 GLU N . 52150 1 530 . 1 . 1 50 50 TYR H H 1 8.27 0.01 . 1 . . . . . 50 TYR H . 52150 1 531 . 1 . 1 50 50 TYR HA H 1 4.69 0.01 . 1 . . . . . 50 TYR HA . 52150 1 532 . 1 . 1 50 50 TYR HB2 H 1 2.70 0.01 . 2 . . . . . 50 TYR HB2 . 52150 1 533 . 1 . 1 50 50 TYR HB3 H 1 3.37 0.01 . 2 . . . . . 50 TYR HB3 . 52150 1 534 . 1 . 1 50 50 TYR HD1 H 1 7.23 0.01 . 3 . . . . . 50 TYR HD1 . 52150 1 535 . 1 . 1 50 50 TYR HD2 H 1 7.23 0.01 . 3 . . . . . 50 TYR HD2 . 52150 1 536 . 1 . 1 50 50 TYR HE1 H 1 6.84 0.01 . 3 . . . . . 50 TYR HE1 . 52150 1 537 . 1 . 1 50 50 TYR HE2 H 1 6.84 0.01 . 3 . . . . . 50 TYR HE2 . 52150 1 538 . 1 . 1 50 50 TYR C C 13 174.60 0.01 . 1 . . . . . 50 TYR C . 52150 1 539 . 1 . 1 50 50 TYR CA C 13 57.42 0.01 . 1 . . . . . 50 TYR CA . 52150 1 540 . 1 . 1 50 50 TYR CB C 13 37.46 0.01 . 1 . . . . . 50 TYR CB . 52150 1 541 . 1 . 1 50 50 TYR N N 15 114.47 0.01 . 1 . . . . . 50 TYR N . 52150 1 542 . 1 . 1 51 51 ALA H H 1 6.94 0.01 . 1 . . . . . 51 ALA H . 52150 1 543 . 1 . 1 51 51 ALA HA H 1 4.42 0.01 . 1 . . . . . 51 ALA HA . 52150 1 544 . 1 . 1 51 51 ALA HB1 H 1 1.62 0.01 . 1 . . . . . 51 ALA MB . 52150 1 545 . 1 . 1 51 51 ALA HB2 H 1 1.62 0.01 . 1 . . . . . 51 ALA MB . 52150 1 546 . 1 . 1 51 51 ALA HB3 H 1 1.62 0.01 . 1 . . . . . 51 ALA MB . 52150 1 547 . 1 . 1 51 51 ALA C C 13 178.79 0.01 . 1 . . . . . 51 ALA C . 52150 1 548 . 1 . 1 51 51 ALA CA C 13 54.23 0.01 . 1 . . . . . 51 ALA CA . 52150 1 549 . 1 . 1 51 51 ALA CB C 13 18.51 0.01 . 1 . . . . . 51 ALA CB . 52150 1 550 . 1 . 1 51 51 ALA N N 15 124.50 0.01 . 1 . . . . . 51 ALA N . 52150 1 551 . 1 . 1 52 52 GLY H H 1 9.30 0.01 . 1 . . . . . 52 GLY H . 52150 1 552 . 1 . 1 52 52 GLY HA2 H 1 3.78 0.01 . 2 . . . . . 52 GLY HA2 . 52150 1 553 . 1 . 1 52 52 GLY HA3 H 1 4.42 0.01 . 2 . . . . . 52 GLY HA3 . 52150 1 554 . 1 . 1 52 52 GLY C C 13 174.33 0.01 . 1 . . . . . 52 GLY C . 52150 1 555 . 1 . 1 52 52 GLY CA C 13 45.40 0.01 . 1 . . . . . 52 GLY CA . 52150 1 556 . 1 . 1 52 52 GLY N N 15 112.73 0.01 . 1 . . . . . 52 GLY N . 52150 1 557 . 1 . 1 53 53 LYS H H 1 8.43 0.01 . 1 . . . . . 53 LYS H . 52150 1 558 . 1 . 1 53 53 LYS HA H 1 4.69 0.01 . 1 . . . . . 53 LYS HA . 52150 1 559 . 1 . 1 53 53 LYS HB2 H 1 2.05 0.01 . 2 . . . . . 53 LYS HB2 . 52150 1 560 . 1 . 1 53 53 LYS HB3 H 1 2.12 0.01 . 2 . . . . . 53 LYS HB3 . 52150 1 561 . 1 . 1 53 53 LYS HG2 H 1 1.43 0.01 . 2 . . . . . 53 LYS HG2 . 52150 1 562 . 1 . 1 53 53 LYS HG3 H 1 1.58 0.01 . 2 . . . . . 53 LYS HG3 . 52150 1 563 . 1 . 1 53 53 LYS C C 13 175.53 0.01 . 1 . . . . . 53 LYS C . 52150 1 564 . 1 . 1 53 53 LYS CA C 13 56.52 0.01 . 1 . . . . . 53 LYS CA . 52150 1 565 . 1 . 1 53 53 LYS CB C 13 34.63 0.01 . 1 . . . . . 53 LYS CB . 52150 1 566 . 1 . 1 53 53 LYS N N 15 118.47 0.01 . 1 . . . . . 53 LYS N . 52150 1 567 . 1 . 1 54 54 ILE H H 1 7.68 0.01 . 1 . . . . . 54 ILE H . 52150 1 568 . 1 . 1 54 54 ILE HA H 1 4.87 0.01 . 1 . . . . . 54 ILE HA . 52150 1 569 . 1 . 1 54 54 ILE HB H 1 1.71 0.01 . 1 . . . . . 54 ILE HB . 52150 1 570 . 1 . 1 54 54 ILE HG12 H 1 1.36 0.01 . 2 . . . . . 54 ILE HG12 . 52150 1 571 . 1 . 1 54 54 ILE HG13 H 1 1.60 0.01 . 2 . . . . . 54 ILE HG13 . 52150 1 572 . 1 . 1 54 54 ILE HG21 H 1 1.04 0.01 . 1 . . . . . 54 ILE MG . 52150 1 573 . 1 . 1 54 54 ILE HG22 H 1 1.04 0.01 . 1 . . . . . 54 ILE MG . 52150 1 574 . 1 . 1 54 54 ILE HG23 H 1 1.04 0.01 . 1 . . . . . 54 ILE MG . 52150 1 575 . 1 . 1 54 54 ILE HD11 H 1 0.81 0.01 . 1 . . . . . 54 ILE MD . 52150 1 576 . 1 . 1 54 54 ILE HD12 H 1 0.81 0.01 . 1 . . . . . 54 ILE MD . 52150 1 577 . 1 . 1 54 54 ILE HD13 H 1 0.81 0.01 . 1 . . . . . 54 ILE MD . 52150 1 578 . 1 . 1 54 54 ILE C C 13 173.90 0.01 . 1 . . . . . 54 ILE C . 52150 1 579 . 1 . 1 54 54 ILE CA C 13 58.42 0.01 . 1 . . . . . 54 ILE CA . 52150 1 580 . 1 . 1 54 54 ILE CB C 13 42.15 0.01 . 1 . . . . . 54 ILE CB . 52150 1 581 . 1 . 1 54 54 ILE N N 15 112.46 0.01 . 1 . . . . . 54 ILE N . 52150 1 582 . 1 . 1 55 55 LYS H H 1 8.29 0.01 . 1 . . . . . 55 LYS H . 52150 1 583 . 1 . 1 55 55 LYS HA H 1 4.70 0.01 . 1 . . . . . 55 LYS HA . 52150 1 584 . 1 . 1 55 55 LYS HB2 H 1 1.73 0.01 . 2 . . . . . 55 LYS HB2 . 52150 1 585 . 1 . 1 55 55 LYS HB3 H 1 1.88 0.01 . 2 . . . . . 55 LYS HB3 . 52150 1 586 . 1 . 1 55 55 LYS C C 13 174.82 0.01 . 1 . . . . . 55 LYS C . 52150 1 587 . 1 . 1 55 55 LYS CA C 13 54.52 0.01 . 1 . . . . . 55 LYS CA . 52150 1 588 . 1 . 1 55 55 LYS CB C 13 35.25 0.01 . 1 . . . . . 55 LYS CB . 52150 1 589 . 1 . 1 55 55 LYS N N 15 124.47 0.01 . 1 . . . . . 55 LYS N . 52150 1 590 . 1 . 1 56 56 CYS H H 1 8.84 0.01 . 1 . . . . . 56 CYS H . 52150 1 591 . 1 . 1 56 56 CYS HA H 1 5.46 0.01 . 1 . . . . . 56 CYS HA . 52150 1 592 . 1 . 1 56 56 CYS HB2 H 1 2.35 0.01 . 2 . . . . . 56 CYS HB2 . 52150 1 593 . 1 . 1 56 56 CYS HB3 H 1 3.02 0.01 . 2 . . . . . 56 CYS HB3 . 52150 1 594 . 1 . 1 56 56 CYS C C 13 173.19 0.01 . 1 . . . . . 56 CYS C . 52150 1 595 . 1 . 1 56 56 CYS CA C 13 56.65 0.01 . 1 . . . . . 56 CYS CA . 52150 1 596 . 1 . 1 56 56 CYS CB C 13 30.62 0.01 . 1 . . . . . 56 CYS CB . 52150 1 597 . 1 . 1 56 56 CYS N N 15 119.58 0.01 . 1 . . . . . 56 CYS N . 52150 1 598 . 1 . 1 57 57 TYR H H 1 9.03 0.01 . 1 . . . . . 57 TYR H . 52150 1 599 . 1 . 1 57 57 TYR HA H 1 5.80 0.01 . 1 . . . . . 57 TYR HA . 52150 1 600 . 1 . 1 57 57 TYR HB2 H 1 2.39 0.01 . 2 . . . . . 57 TYR HB2 . 52150 1 601 . 1 . 1 57 57 TYR HB3 H 1 2.88 0.01 . 2 . . . . . 57 TYR HB3 . 52150 1 602 . 1 . 1 57 57 TYR HD1 H 1 6.72 0.01 . 3 . . . . . 57 TYR HD1 . 52150 1 603 . 1 . 1 57 57 TYR HD2 H 1 6.72 0.01 . 3 . . . . . 57 TYR HD2 . 52150 1 604 . 1 . 1 57 57 TYR HE1 H 1 6.58 0.01 . 3 . . . . . 57 TYR HE1 . 52150 1 605 . 1 . 1 57 57 TYR HE2 H 1 6.58 0.01 . 3 . . . . . 57 TYR HE2 . 52150 1 606 . 1 . 1 57 57 TYR C C 13 178.35 0.01 . 1 . . . . . 57 TYR C . 52150 1 607 . 1 . 1 57 57 TYR CA C 13 60.81 0.01 . 1 . . . . . 57 TYR CA . 52150 1 608 . 1 . 1 57 57 TYR CB C 13 44.32 0.01 . 1 . . . . . 57 TYR CB . 52150 1 609 . 1 . 1 57 57 TYR N N 15 120.40 0.01 . 1 . . . . . 57 TYR N . 52150 1 610 . 1 . 1 58 58 LYS H H 1 8.86 0.01 . 1 . . . . . 58 LYS H . 52150 1 611 . 1 . 1 58 58 LYS HA H 1 5.49 0.01 . 1 . . . . . 58 LYS HA . 52150 1 612 . 1 . 1 58 58 LYS HB2 H 1 1.70 0.01 . 2 . . . . . 58 LYS HB2 . 52150 1 613 . 1 . 1 58 58 LYS HB3 H 1 1.93 0.01 . 2 . . . . . 58 LYS HB3 . 52150 1 614 . 1 . 1 58 58 LYS HG2 H 1 1.32 0.01 . 2 . . . . . 58 LYS HG2 . 52150 1 615 . 1 . 1 58 58 LYS HG3 H 1 1.53 0.01 . 2 . . . . . 58 LYS HG3 . 52150 1 616 . 1 . 1 58 58 LYS HD2 H 1 1.76 0.01 . 2 . . . . . 58 LYS HD2 . 52150 1 617 . 1 . 1 58 58 LYS C C 13 174.22 0.01 . 1 . . . . . 58 LYS C . 52150 1 618 . 1 . 1 58 58 LYS CA C 13 53.81 0.01 . 1 . . . . . 58 LYS CA . 52150 1 619 . 1 . 1 58 58 LYS CB C 13 35.25 0.01 . 1 . . . . . 58 LYS CB . 52150 1 620 . 1 . 1 58 58 LYS N N 15 117.73 0.01 . 1 . . . . . 58 LYS N . 52150 1 621 . 1 . 1 59 59 LEU H H 1 9.07 0.01 . 1 . . . . . 59 LEU H . 52150 1 622 . 1 . 1 59 59 LEU HA H 1 4.89 0.01 . 1 . . . . . 59 LEU HA . 52150 1 623 . 1 . 1 59 59 LEU HB2 H 1 1.70 0.01 . 2 . . . . . 59 LEU HB2 . 52150 1 624 . 1 . 1 59 59 LEU HB3 H 1 1.99 0.01 . 2 . . . . . 59 LEU HB3 . 52150 1 625 . 1 . 1 59 59 LEU HG H 1 1.46 0.01 . 1 . . . . . 59 LEU HG . 52150 1 626 . 1 . 1 59 59 LEU HD11 H 1 0.75 0.01 . 2 . . . . . 59 LEU MD1 . 52150 1 627 . 1 . 1 59 59 LEU HD12 H 1 0.75 0.01 . 2 . . . . . 59 LEU MD1 . 52150 1 628 . 1 . 1 59 59 LEU HD13 H 1 0.75 0.01 . 2 . . . . . 59 LEU MD1 . 52150 1 629 . 1 . 1 59 59 LEU HD21 H 1 0.91 0.01 . 2 . . . . . 59 LEU MD2 . 52150 1 630 . 1 . 1 59 59 LEU HD22 H 1 0.91 0.01 . 2 . . . . . 59 LEU MD2 . 52150 1 631 . 1 . 1 59 59 LEU HD23 H 1 0.91 0.01 . 2 . . . . . 59 LEU MD2 . 52150 1 632 . 1 . 1 59 59 LEU C C 13 172.81 0.01 . 1 . . . . . 59 LEU C . 52150 1 633 . 1 . 1 59 59 LEU CA C 13 53.60 0.01 . 1 . . . . . 59 LEU CA . 52150 1 634 . 1 . 1 59 59 LEU CB C 13 43.82 0.01 . 1 . . . . . 59 LEU CB . 52150 1 635 . 1 . 1 59 59 LEU N N 15 128.48 0.01 . 1 . . . . . 59 LEU N . 52150 1 636 . 1 . 1 60 60 ASN H H 1 9.00 0.01 . 1 . . . . . 60 ASN H . 52150 1 637 . 1 . 1 60 60 ASN HA H 1 4.35 0.01 . 1 . . . . . 60 ASN HA . 52150 1 638 . 1 . 1 60 60 ASN HB2 H 1 2.61 0.01 . 2 . . . . . 60 ASN HB2 . 52150 1 639 . 1 . 1 60 60 ASN HB3 H 1 3.04 0.01 . 2 . . . . . 60 ASN HB3 . 52150 1 640 . 1 . 1 60 60 ASN C C 13 177.77 0.01 . 1 . . . . . 60 ASN C . 52150 1 641 . 1 . 1 60 60 ASN CA C 13 50.12 0.01 . 1 . . . . . 60 ASN CA . 52150 1 642 . 1 . 1 60 60 ASN CB C 13 37.60 0.01 . 1 . . . . . 60 ASN CB . 52150 1 643 . 1 . 1 60 60 ASN N N 15 127.10 0.01 . 1 . . . . . 60 ASN N . 52150 1 644 . 1 . 1 61 61 THR H H 1 9.38 0.01 . 1 . . . . . 61 THR H . 52150 1 645 . 1 . 1 61 61 THR HA H 1 3.68 0.01 . 1 . . . . . 61 THR HA . 52150 1 646 . 1 . 1 61 61 THR HB H 1 4.25 0.01 . 1 . . . . . 61 THR HB . 52150 1 647 . 1 . 1 61 61 THR HG21 H 1 1.43 0.01 . 1 . . . . . 61 THR MG . 52150 1 648 . 1 . 1 61 61 THR HG22 H 1 1.43 0.01 . 1 . . . . . 61 THR MG . 52150 1 649 . 1 . 1 61 61 THR HG23 H 1 1.43 0.01 . 1 . . . . . 61 THR MG . 52150 1 650 . 1 . 1 61 61 THR C C 13 176.61 0.01 . 1 . . . . . 61 THR C . 52150 1 651 . 1 . 1 61 61 THR CA C 13 64.90 0.01 . 1 . . . . . 61 THR CA . 52150 1 652 . 1 . 1 61 61 THR CB C 13 66.62 0.01 . 1 . . . . . 61 THR CB . 52150 1 653 . 1 . 1 61 61 THR N N 15 120.02 0.01 . 1 . . . . . 61 THR N . 52150 1 654 . 1 . 1 62 62 ASP H H 1 8.10 0.01 . 1 . . . . . 62 ASP H . 52150 1 655 . 1 . 1 62 62 ASP HA H 1 4.60 0.01 . 1 . . . . . 62 ASP HA . 52150 1 656 . 1 . 1 62 62 ASP HB2 H 1 2.75 0.01 . 2 . . . . . 62 ASP HB2 . 52150 1 657 . 1 . 1 62 62 ASP HB3 H 1 2.98 0.01 . 2 . . . . . 62 ASP HB3 . 52150 1 658 . 1 . 1 62 62 ASP C C 13 177.97 0.01 . 1 . . . . . 62 ASP C . 52150 1 659 . 1 . 1 62 62 ASP CA C 13 56.32 0.01 . 1 . . . . . 62 ASP CA . 52150 1 660 . 1 . 1 62 62 ASP CB C 13 40.23 0.01 . 1 . . . . . 62 ASP CB . 52150 1 661 . 1 . 1 62 62 ASP N N 15 120.28 0.01 . 1 . . . . . 62 ASP N . 52150 1 662 . 1 . 1 63 63 GLU H H 1 7.00 0.01 . 1 . . . . . 63 GLU H . 52150 1 663 . 1 . 1 63 63 GLU HA H 1 4.46 0.01 . 1 . . . . . 63 GLU HA . 52150 1 664 . 1 . 1 63 63 GLU HB2 H 1 2.06 0.01 . 2 . . . . . 63 GLU HB2 . 52150 1 665 . 1 . 1 63 63 GLU HB3 H 1 2.39 0.01 . 2 . . . . . 63 GLU HB3 . 52150 1 666 . 1 . 1 63 63 GLU HG2 H 1 2.42 0.01 . 2 . . . . . 63 GLU HG2 . 52150 1 667 . 1 . 1 63 63 GLU C C 13 176.83 0.01 . 1 . . . . . 63 GLU C . 52150 1 668 . 1 . 1 63 63 GLU CA C 13 55.82 0.01 . 1 . . . . . 63 GLU CA . 52150 1 669 . 1 . 1 63 63 GLU CB C 13 31.43 0.01 . 1 . . . . . 63 GLU CB . 52150 1 670 . 1 . 1 63 63 GLU N N 15 117.87 0.01 . 1 . . . . . 63 GLU N . 52150 1 671 . 1 . 1 64 64 SER H H 1 7.87 0.01 . 1 . . . . . 64 SER H . 52150 1 672 . 1 . 1 64 64 SER HA H 1 5.11 0.01 . 1 . . . . . 64 SER HA . 52150 1 673 . 1 . 1 64 64 SER HB2 H 1 3.96 0.01 . 2 . . . . . 64 SER HB2 . 52150 1 674 . 1 . 1 64 64 SER HB3 H 1 4.17 0.01 . 2 . . . . . 64 SER HB3 . 52150 1 675 . 1 . 1 64 64 SER CA C 13 56.05 0.01 . 1 . . . . . 64 SER CA . 52150 1 676 . 1 . 1 64 64 SER CB C 13 64.03 0.01 . 1 . . . . . 64 SER CB . 52150 1 677 . 1 . 1 64 64 SER N N 15 116.30 0.01 . 1 . . . . . 64 SER N . 52150 1 678 . 1 . 1 65 65 PRO HA H 1 4.47 0.01 . 1 . . . . . 65 PRO HA . 52150 1 679 . 1 . 1 65 65 PRO HB2 H 1 2.03 0.01 . 2 . . . . . 65 PRO HB2 . 52150 1 680 . 1 . 1 65 65 PRO HB3 H 1 2.16 0.01 . 2 . . . . . 65 PRO HB3 . 52150 1 681 . 1 . 1 65 65 PRO HG2 H 1 2.28 0.01 . 2 . . . . . 65 PRO HG2 . 52150 1 682 . 1 . 1 65 65 PRO HG3 H 1 2.46 0.01 . 2 . . . . . 65 PRO HG3 . 52150 1 683 . 1 . 1 65 65 PRO HD2 H 1 3.30 0.01 . 2 . . . . . 65 PRO HD2 . 52150 1 684 . 1 . 1 65 65 PRO HD3 H 1 3.81 0.01 . 2 . . . . . 65 PRO HD3 . 52150 1 685 . 1 . 1 65 65 PRO C C 13 180.31 0.01 . 1 . . . . . 65 PRO C . 52150 1 686 . 1 . 1 65 65 PRO CA C 13 63.70 0.01 . 1 . . . . . 65 PRO CA . 52150 1 687 . 1 . 1 65 65 PRO CB C 13 31.72 0.01 . 1 . . . . . 65 PRO CB . 52150 1 688 . 1 . 1 65 65 PRO N N 15 134.90 0.01 . 1 . . . . . 65 PRO N . 52150 1 689 . 1 . 1 66 66 ASN H H 1 9.55 0.01 . 1 . . . . . 66 ASN H . 52150 1 690 . 1 . 1 66 66 ASN HA H 1 4.53 0.01 . 1 . . . . . 66 ASN HA . 52150 1 691 . 1 . 1 66 66 ASN HB2 H 1 2.73 0.01 . 2 . . . . . 66 ASN HB2 . 52150 1 692 . 1 . 1 66 66 ASN HB3 H 1 2.85 0.01 . 2 . . . . . 66 ASN HB3 . 52150 1 693 . 1 . 1 66 66 ASN C C 13 178.95 0.01 . 1 . . . . . 66 ASN C . 52150 1 694 . 1 . 1 66 66 ASN CA C 13 56.62 0.01 . 1 . . . . . 66 ASN CA . 52150 1 695 . 1 . 1 66 66 ASN CB C 13 37.23 0.01 . 1 . . . . . 66 ASN CB . 52150 1 696 . 1 . 1 66 66 ASN N N 15 121.12 0.01 . 1 . . . . . 66 ASN N . 52150 1 697 . 1 . 1 67 67 THR H H 1 9.30 0.01 . 1 . . . . . 67 THR H . 52150 1 698 . 1 . 1 67 67 THR HA H 1 3.58 0.01 . 1 . . . . . 67 THR HA . 52150 1 699 . 1 . 1 67 67 THR HB H 1 3.74 0.01 . 1 . . . . . 67 THR HB . 52150 1 700 . 1 . 1 67 67 THR HG21 H 1 0.02 0.01 . 1 . . . . . 67 THR MG . 52150 1 701 . 1 . 1 67 67 THR HG22 H 1 0.02 0.01 . 1 . . . . . 67 THR MG . 52150 1 702 . 1 . 1 67 67 THR HG23 H 1 0.02 0.01 . 1 . . . . . 67 THR MG . 52150 1 703 . 1 . 1 67 67 THR C C 13 175.85 0.01 . 1 . . . . . 67 THR C . 52150 1 704 . 1 . 1 67 67 THR CA C 13 67.4 0.01 . 1 . . . . . 67 THR CA . 52150 1 705 . 1 . 1 67 67 THR CB C 13 67.4 0.01 . 1 . . . . . 67 THR CB . 52150 1 706 . 1 . 1 67 67 THR N N 15 121.12 0.01 . 1 . . . . . 67 THR N . 52150 1 707 . 1 . 1 68 68 ALA H H 1 7.38 0.01 . 1 . . . . . 68 ALA H . 52150 1 708 . 1 . 1 68 68 ALA HA H 1 4.02 0.01 . 1 . . . . . 68 ALA HA . 52150 1 709 . 1 . 1 68 68 ALA HB1 H 1 1.50 0.01 . 1 . . . . . 68 ALA MB . 52150 1 710 . 1 . 1 68 68 ALA HB2 H 1 1.50 0.01 . 1 . . . . . 68 ALA MB . 52150 1 711 . 1 . 1 68 68 ALA HB3 H 1 1.50 0.01 . 1 . . . . . 68 ALA MB . 52150 1 712 . 1 . 1 68 68 ALA C C 13 178.95 0.01 . 1 . . . . . 68 ALA C . 52150 1 713 . 1 . 1 68 68 ALA CA C 13 55.51 0.01 . 1 . . . . . 68 ALA CA . 52150 1 714 . 1 . 1 68 68 ALA CB C 13 17.43 0.01 . 1 . . . . . 68 ALA CB . 52150 1 715 . 1 . 1 68 68 ALA N N 15 122.14 0.01 . 1 . . . . . 68 ALA N . 52150 1 716 . 1 . 1 69 69 THR H H 1 8.17 0.01 . 1 . . . . . 69 THR H . 52150 1 717 . 1 . 1 69 69 THR HA H 1 4.07 0.01 . 1 . . . . . 69 THR HA . 52150 1 718 . 1 . 1 69 69 THR HB H 1 4.29 0.01 . 1 . . . . . 69 THR HB . 52150 1 719 . 1 . 1 69 69 THR HG21 H 1 1.31 0.01 . 1 . . . . . 69 THR MG . 52150 1 720 . 1 . 1 69 69 THR HG22 H 1 1.31 0.01 . 1 . . . . . 69 THR MG . 52150 1 721 . 1 . 1 69 69 THR HG23 H 1 1.31 0.01 . 1 . . . . . 69 THR MG . 52150 1 722 . 1 . 1 69 69 THR C C 13 177.97 0.01 . 1 . . . . . 69 THR C . 52150 1 723 . 1 . 1 69 69 THR CA C 13 66.32 0.01 . 1 . . . . . 69 THR CA . 52150 1 724 . 1 . 1 69 69 THR CB C 13 68.82 0.01 . 1 . . . . . 69 THR CB . 52150 1 725 . 1 . 1 69 69 THR N N 15 113.09 0.01 . 1 . . . . . 69 THR N . 52150 1 726 . 1 . 1 70 70 LYS H H 1 8.22 0.01 . 1 . . . . . 70 LYS H . 52150 1 727 . 1 . 1 70 70 LYS HA H 1 3.90 0.01 . 1 . . . . . 70 LYS HA . 52150 1 728 . 1 . 1 70 70 LYS HB2 H 1 1.63 0.01 . 2 . . . . . 70 LYS HB2 . 52150 1 729 . 1 . 1 70 70 LYS HB3 H 1 1.89 0.01 . 2 . . . . . 70 LYS HB3 . 52150 1 730 . 1 . 1 70 70 LYS HG2 H 1 0.60 0.01 . 2 . . . . . 70 LYS HG2 . 52150 1 731 . 1 . 1 70 70 LYS HG3 H 1 1.17 0.01 . 2 . . . . . 70 LYS HG3 . 52150 1 732 . 1 . 1 70 70 LYS HD2 H 1 0.85 0.01 . 2 . . . . . 70 LYS HD2 . 52150 1 733 . 1 . 1 70 70 LYS HD3 H 1 1.51 0.01 . 2 . . . . . 70 LYS HD3 . 52150 1 734 . 1 . 1 70 70 LYS C C 13 177.80 0.01 . 1 . . . . . 70 LYS C . 52150 1 735 . 1 . 1 70 70 LYS CA C 13 59.20 0.01 . 1 . . . . . 70 LYS CA . 52150 1 736 . 1 . 1 70 70 LYS CB C 13 32.02 0.01 . 1 . . . . . 70 LYS CB . 52150 1 737 . 1 . 1 70 70 LYS N N 15 124.68 0.01 . 1 . . . . . 70 LYS N . 52150 1 738 . 1 . 1 71 71 TYR H H 1 7.32 0.01 . 1 . . . . . 71 TYR H . 52150 1 739 . 1 . 1 71 71 TYR HA H 1 4.56 0.01 . 1 . . . . . 71 TYR HA . 52150 1 740 . 1 . 1 71 71 TYR HB2 H 1 2.39 0.01 . 2 . . . . . 71 TYR HB2 . 52150 1 741 . 1 . 1 71 71 TYR HB3 H 1 3.44 0.01 . 2 . . . . . 71 TYR HB3 . 52150 1 742 . 1 . 1 71 71 TYR HD1 H 1 7.06 0.01 . 3 . . . . . 71 TYR HD1 . 52150 1 743 . 1 . 1 71 71 TYR HD2 H 1 7.06 0.01 . 3 . . . . . 71 TYR HD2 . 52150 1 744 . 1 . 1 71 71 TYR HE1 H 1 6.47 0.01 . 3 . . . . . 71 TYR HE1 . 52150 1 745 . 1 . 1 71 71 TYR HE2 H 1 6.47 0.01 . 3 . . . . . 71 TYR HE2 . 52150 1 746 . 1 . 1 71 71 TYR C C 13 175.05 0.01 . 1 . . . . . 71 TYR C . 52150 1 747 . 1 . 1 71 71 TYR CA C 13 58.61 0.01 . 1 . . . . . 71 TYR CA . 52150 1 748 . 1 . 1 71 71 TYR CB C 13 37.60 0.01 . 1 . . . . . 71 TYR CB . 52150 1 749 . 1 . 1 71 71 TYR N N 15 112.09 0.01 . 1 . . . . . 71 TYR N . 52150 1 750 . 1 . 1 72 72 GLY H H 1 7.78 0.01 . 1 . . . . . 72 GLY H . 52150 1 751 . 1 . 1 72 72 GLY HA2 H 1 3.88 0.01 . 2 . . . . . 72 GLY HA2 . 52150 1 752 . 1 . 1 72 72 GLY HA3 H 1 3.98 0.01 . 2 . . . . . 72 GLY HA3 . 52150 1 753 . 1 . 1 72 72 GLY C C 13 176.67 0.01 . 1 . . . . . 72 GLY C . 52150 1 754 . 1 . 1 72 72 GLY CA C 13 47.21 0.01 . 1 . . . . . 72 GLY CA . 52150 1 755 . 1 . 1 72 72 GLY N N 15 109.34 0.01 . 1 . . . . . 72 GLY N . 52150 1 756 . 1 . 1 73 73 ILE H H 1 8.20 0.01 . 1 . . . . . 73 ILE H . 52150 1 757 . 1 . 1 73 73 ILE HA H 1 4.03 0.01 . 1 . . . . . 73 ILE HA . 52150 1 758 . 1 . 1 73 73 ILE HB H 1 1.98 0.01 . 1 . . . . . 73 ILE HB . 52150 1 759 . 1 . 1 73 73 ILE HG12 H 1 0.61 0.01 . 2 . . . . . 73 ILE HG12 . 52150 1 760 . 1 . 1 73 73 ILE HG13 H 1 1.34 0.01 . 2 . . . . . 73 ILE HG13 . 52150 1 761 . 1 . 1 73 73 ILE HG21 H 1 0.13 0.01 . 1 . . . . . 73 ILE MG . 52150 1 762 . 1 . 1 73 73 ILE HG22 H 1 0.13 0.01 . 1 . . . . . 73 ILE MG . 52150 1 763 . 1 . 1 73 73 ILE HG23 H 1 0.13 0.01 . 1 . . . . . 73 ILE MG . 52150 1 764 . 1 . 1 73 73 ILE HD11 H 1 0.73 0.01 . 1 . . . . . 73 ILE MD . 52150 1 765 . 1 . 1 73 73 ILE HD12 H 1 0.73 0.01 . 1 . . . . . 73 ILE MD . 52150 1 766 . 1 . 1 73 73 ILE HD13 H 1 0.73 0.01 . 1 . . . . . 73 ILE MD . 52150 1 767 . 1 . 1 73 73 ILE C C 13 176.13 0.01 . 1 . . . . . 73 ILE C . 52150 1 768 . 1 . 1 73 73 ILE CA C 13 59.02 0.01 . 1 . . . . . 73 ILE CA . 52150 1 769 . 1 . 1 73 73 ILE CB C 13 33.82 0.01 . 1 . . . . . 73 ILE CB . 52150 1 770 . 1 . 1 73 73 ILE N N 15 119.46 0.01 . 1 . . . . . 73 ILE N . 52150 1 771 . 1 . 1 74 74 ARG H H 1 8.40 0.01 . 1 . . . . . 74 ARG H . 52150 1 772 . 1 . 1 74 74 ARG HA H 1 4.59 0.01 . 1 . . . . . 74 ARG HA . 52150 1 773 . 1 . 1 74 74 ARG HB2 H 1 1.86 0.01 . 2 . . . . . 74 ARG HB2 . 52150 1 774 . 1 . 1 74 74 ARG HB3 H 1 2.06 0.01 . 2 . . . . . 74 ARG HB3 . 52150 1 775 . 1 . 1 74 74 ARG HG2 H 1 1.57 0.01 . 2 . . . . . 74 ARG HG2 . 52150 1 776 . 1 . 1 74 74 ARG HG3 H 1 1.69 0.01 . 2 . . . . . 74 ARG HG3 . 52150 1 777 . 1 . 1 74 74 ARG C C 13 177.21 0.01 . 1 . . . . . 74 ARG C . 52150 1 778 . 1 . 1 74 74 ARG CA C 13 55.32 0.01 . 1 . . . . . 74 ARG CA . 52150 1 779 . 1 . 1 74 74 ARG CB C 13 31.51 0.01 . 1 . . . . . 74 ARG CB . 52150 1 780 . 1 . 1 74 74 ARG N N 15 128.09 0.01 . 1 . . . . . 74 ARG N . 52150 1 781 . 1 . 1 75 75 SER H H 1 7.90 0.01 . 1 . . . . . 75 SER H . 52150 1 782 . 1 . 1 75 75 SER HA H 1 4.89 0.01 . 1 . . . . . 75 SER HA . 52150 1 783 . 1 . 1 75 75 SER HB2 H 1 3.80 0.01 . 2 . . . . . 75 SER HB2 . 52150 1 784 . 1 . 1 75 75 SER HB3 H 1 4.08 0.01 . 2 . . . . . 75 SER HB3 . 52150 1 785 . 1 . 1 75 75 SER C C 13 172.21 0.01 . 1 . . . . . 75 SER C . 52150 1 786 . 1 . 1 75 75 SER CA C 13 57.12 0.01 . 1 . . . . . 75 SER CA . 52150 1 787 . 1 . 1 75 75 SER CB C 13 64.52 0.01 . 1 . . . . . 75 SER CB . 52150 1 788 . 1 . 1 75 75 SER N N 15 114.65 0.01 . 1 . . . . . 75 SER N . 52150 1 789 . 1 . 1 76 76 ILE H H 1 8.44 0.01 . 1 . . . . . 76 ILE H . 52150 1 790 . 1 . 1 76 76 ILE HA H 1 4.65 0.01 . 1 . . . . . 76 ILE HA . 52150 1 791 . 1 . 1 76 76 ILE HB H 1 1.93 0.01 . 1 . . . . . 76 ILE HB . 52150 1 792 . 1 . 1 76 76 ILE HG12 H 1 1.42 0.01 . 2 . . . . . 76 ILE HG12 . 52150 1 793 . 1 . 1 76 76 ILE HG13 H 1 1.66 0.01 . 2 . . . . . 76 ILE HG13 . 52150 1 794 . 1 . 1 76 76 ILE HG21 H 1 0.81 0.01 . 1 . . . . . 76 ILE MG . 52150 1 795 . 1 . 1 76 76 ILE HG22 H 1 0.81 0.01 . 1 . . . . . 76 ILE MG . 52150 1 796 . 1 . 1 76 76 ILE HG23 H 1 0.81 0.01 . 1 . . . . . 76 ILE MG . 52150 1 797 . 1 . 1 76 76 ILE HD11 H 1 1.01 0.01 . 1 . . . . . 76 ILE MD . 52150 1 798 . 1 . 1 76 76 ILE HD12 H 1 1.01 0.01 . 1 . . . . . 76 ILE MD . 52150 1 799 . 1 . 1 76 76 ILE HD13 H 1 1.01 0.01 . 1 . . . . . 76 ILE MD . 52150 1 800 . 1 . 1 76 76 ILE CA C 13 57.92 0.01 . 1 . . . . . 76 ILE CA . 52150 1 801 . 1 . 1 76 76 ILE CB C 13 40.63 0.01 . 1 . . . . . 76 ILE CB . 52150 1 802 . 1 . 1 76 76 ILE N N 15 116.21 0.01 . 1 . . . . . 76 ILE N . 52150 1 803 . 1 . 1 77 77 PRO HA H 1 5.17 0.01 . 1 . . . . . 77 PRO HA . 52150 1 804 . 1 . 1 77 77 PRO HB2 H 1 2.33 0.01 . 2 . . . . . 77 PRO HB2 . 52150 1 805 . 1 . 1 77 77 PRO HB3 H 1 2.98 0.01 . 2 . . . . . 77 PRO HB3 . 52150 1 806 . 1 . 1 77 77 PRO HG2 H 1 1.90 0.01 . 2 . . . . . 77 PRO HG2 . 52150 1 807 . 1 . 1 77 77 PRO HD2 H 1 3.18 0.01 . 2 . . . . . 77 PRO HD2 . 52150 1 808 . 1 . 1 77 77 PRO HD3 H 1 3.37 0.01 . 2 . . . . . 77 PRO HD3 . 52150 1 809 . 1 . 1 77 77 PRO C C 13 177.05 0.01 . 1 . . . . . 77 PRO C . 52150 1 810 . 1 . 1 77 77 PRO CA C 13 62.62 0.01 . 1 . . . . . 77 PRO CA . 52150 1 811 . 1 . 1 77 77 PRO CB C 13 34.82 0.01 . 1 . . . . . 77 PRO CB . 52150 1 812 . 1 . 1 77 77 PRO N N 15 134.43 0.01 . 1 . . . . . 77 PRO N . 52150 1 813 . 1 . 1 78 78 THR H H 1 8.04 0.01 . 1 . . . . . 78 THR H . 52150 1 814 . 1 . 1 78 78 THR HA H 1 5.25 0.01 . 1 . . . . . 78 THR HA . 52150 1 815 . 1 . 1 78 78 THR HB H 1 3.96 0.01 . 1 . . . . . 78 THR HB . 52150 1 816 . 1 . 1 78 78 THR HG21 H 1 1.18 0.01 . 1 . . . . . 78 THR MG . 52150 1 817 . 1 . 1 78 78 THR HG22 H 1 1.18 0.01 . 1 . . . . . 78 THR MG . 52150 1 818 . 1 . 1 78 78 THR HG23 H 1 1.18 0.01 . 1 . . . . . 78 THR MG . 52150 1 819 . 1 . 1 78 78 THR C C 13 172.10 0.01 . 1 . . . . . 78 THR C . 52150 1 820 . 1 . 1 78 78 THR CA C 13 63.81 0.01 . 1 . . . . . 78 THR CA . 52150 1 821 . 1 . 1 78 78 THR CB C 13 73.52 0.01 . 1 . . . . . 78 THR CB . 52150 1 822 . 1 . 1 78 78 THR N N 15 119.34 0.01 . 1 . . . . . 78 THR N . 52150 1 823 . 1 . 1 79 79 VAL H H 1 9.52 0.01 . 1 . . . . . 79 VAL H . 52150 1 824 . 1 . 1 79 79 VAL HA H 1 5.59 0.01 . 1 . . . . . 79 VAL HA . 52150 1 825 . 1 . 1 79 79 VAL HB H 1 2.09 0.01 . 1 . . . . . 79 VAL HB . 52150 1 826 . 1 . 1 79 79 VAL HG11 H 1 0.60 0.01 . 2 . . . . . 79 VAL MG1 . 52150 1 827 . 1 . 1 79 79 VAL HG12 H 1 0.60 0.01 . 2 . . . . . 79 VAL MG1 . 52150 1 828 . 1 . 1 79 79 VAL HG13 H 1 0.60 0.01 . 2 . . . . . 79 VAL MG1 . 52150 1 829 . 1 . 1 79 79 VAL HG21 H 1 1.11 0.01 . 2 . . . . . 79 VAL MG2 . 52150 1 830 . 1 . 1 79 79 VAL HG22 H 1 1.11 0.01 . 2 . . . . . 79 VAL MG2 . 52150 1 831 . 1 . 1 79 79 VAL HG23 H 1 1.11 0.01 . 2 . . . . . 79 VAL MG2 . 52150 1 832 . 1 . 1 79 79 VAL C C 13 175.37 0.01 . 1 . . . . . 79 VAL C . 52150 1 833 . 1 . 1 79 79 VAL CA C 13 60.22 0.01 . 1 . . . . . 79 VAL CA . 52150 1 834 . 1 . 1 79 79 VAL CB C 13 33.85 0.01 . 1 . . . . . 79 VAL CB . 52150 1 835 . 1 . 1 79 79 VAL N N 15 127.30 0.01 . 1 . . . . . 79 VAL N . 52150 1 836 . 1 . 1 80 80 LEU H H 1 9.11 0.01 . 1 . . . . . 80 LEU H . 52150 1 837 . 1 . 1 80 80 LEU HA H 1 5.34 0.01 . 1 . . . . . 80 LEU HA . 52150 1 838 . 1 . 1 80 80 LEU HB2 H 1 1.83 0.01 . 2 . . . . . 80 LEU HB2 . 52150 1 839 . 1 . 1 80 80 LEU HB3 H 1 2.08 0.01 . 2 . . . . . 80 LEU HB3 . 52150 1 840 . 1 . 1 80 80 LEU HG H 1 1.46 0.01 . 1 . . . . . 80 LEU HG . 52150 1 841 . 1 . 1 80 80 LEU HD11 H 1 0.71 0.01 . 2 . . . . . 80 LEU MD1 . 52150 1 842 . 1 . 1 80 80 LEU HD12 H 1 0.71 0.01 . 2 . . . . . 80 LEU MD1 . 52150 1 843 . 1 . 1 80 80 LEU HD13 H 1 0.71 0.01 . 2 . . . . . 80 LEU MD1 . 52150 1 844 . 1 . 1 80 80 LEU HD21 H 1 0.90 0.01 . 2 . . . . . 80 LEU MD2 . 52150 1 845 . 1 . 1 80 80 LEU HD22 H 1 0.90 0.01 . 2 . . . . . 80 LEU MD2 . 52150 1 846 . 1 . 1 80 80 LEU HD23 H 1 0.90 0.01 . 2 . . . . . 80 LEU MD2 . 52150 1 847 . 1 . 1 80 80 LEU C C 13 173.90 0.01 . 1 . . . . . 80 LEU C . 52150 1 848 . 1 . 1 80 80 LEU CA C 13 52.87 0.01 . 1 . . . . . 80 LEU CA . 52150 1 849 . 1 . 1 80 80 LEU CB C 13 46.39 0.01 . 1 . . . . . 80 LEU CB . 52150 1 850 . 1 . 1 80 80 LEU N N 15 124.34 0.01 . 1 . . . . . 80 LEU N . 52150 1 851 . 1 . 1 81 81 PHE H H 1 7.87 0.01 . 1 . . . . . 81 PHE H . 52150 1 852 . 1 . 1 81 81 PHE HA H 1 5.34 0.01 . 1 . . . . . 81 PHE HA . 52150 1 853 . 1 . 1 81 81 PHE HB2 H 1 2.44 0.01 . 2 . . . . . 81 PHE HB2 . 52150 1 854 . 1 . 1 81 81 PHE HB3 H 1 2.50 0.01 . 2 . . . . . 81 PHE HB3 . 52150 1 855 . 1 . 1 81 81 PHE HD1 H 1 7.04 0.01 . 3 . . . . . 81 PHE HD1 . 52150 1 856 . 1 . 1 81 81 PHE HD2 H 1 7.04 0.01 . 3 . . . . . 81 PHE HD2 . 52150 1 857 . 1 . 1 81 81 PHE HE1 H 1 7.13 0.01 . 3 . . . . . 81 PHE HE1 . 52150 1 858 . 1 . 1 81 81 PHE HE2 H 1 7.13 0.01 . 3 . . . . . 81 PHE HE2 . 52150 1 859 . 1 . 1 81 81 PHE HZ H 1 6.92 0.01 . 1 . . . . . 81 PHE HZ . 52150 1 860 . 1 . 1 81 81 PHE C C 13 174.77 0.01 . 1 . . . . . 81 PHE C . 52150 1 861 . 1 . 1 81 81 PHE CA C 13 56.10 0.01 . 1 . . . . . 81 PHE CA . 52150 1 862 . 1 . 1 81 81 PHE CB C 13 41.50 0.01 . 1 . . . . . 81 PHE CB . 52150 1 863 . 1 . 1 81 81 PHE N N 15 117.46 0.01 . 1 . . . . . 81 PHE N . 52150 1 864 . 1 . 1 82 82 PHE H H 1 9.71 0.01 . 1 . . . . . 82 PHE H . 52150 1 865 . 1 . 1 82 82 PHE HA H 1 5.40 0.01 . 1 . . . . . 82 PHE HA . 52150 1 866 . 1 . 1 82 82 PHE HB2 H 1 2.69 0.01 . 2 . . . . . 82 PHE HB2 . 52150 1 867 . 1 . 1 82 82 PHE HB3 H 1 2.86 0.01 . 2 . . . . . 82 PHE HB3 . 52150 1 868 . 1 . 1 82 82 PHE HD1 H 1 6.75 0.01 . 3 . . . . . 82 PHE HD1 . 52150 1 869 . 1 . 1 82 82 PHE HD2 H 1 6.75 0.01 . 3 . . . . . 82 PHE HD2 . 52150 1 870 . 1 . 1 82 82 PHE HE1 H 1 7.29 0.01 . 3 . . . . . 82 PHE HE1 . 52150 1 871 . 1 . 1 82 82 PHE HE2 H 1 7.29 0.01 . 3 . . . . . 82 PHE HE2 . 52150 1 872 . 1 . 1 82 82 PHE HZ H 1 7.05 0.01 . 1 . . . . . 82 PHE HZ . 52150 1 873 . 1 . 1 82 82 PHE C C 13 175.09 0.01 . 1 . . . . . 82 PHE C . 52150 1 874 . 1 . 1 82 82 PHE CA C 13 56.15 0.01 . 1 . . . . . 82 PHE CA . 52150 1 875 . 1 . 1 82 82 PHE CB C 13 43.52 0.01 . 1 . . . . . 82 PHE CB . 52150 1 876 . 1 . 1 82 82 PHE N N 15 121.65 0.01 . 1 . . . . . 82 PHE N . 52150 1 877 . 1 . 1 83 83 LYS H H 1 8.63 0.01 . 1 . . . . . 83 LYS H . 52150 1 878 . 1 . 1 83 83 LYS HA H 1 4.57 0.01 . 1 . . . . . 83 LYS HA . 52150 1 879 . 1 . 1 83 83 LYS HB2 H 1 1.77 0.01 . 2 . . . . . 83 LYS HB2 . 52150 1 880 . 1 . 1 83 83 LYS HB3 H 1 2.07 0.01 . 2 . . . . . 83 LYS HB3 . 52150 1 881 . 1 . 1 83 83 LYS HG2 H 1 1.45 0.01 . 2 . . . . . 83 LYS HG2 . 52150 1 882 . 1 . 1 83 83 LYS HD2 H 1 1.64 0.01 . 2 . . . . . 83 LYS HD2 . 52150 1 883 . 1 . 1 83 83 LYS C C 13 176.07 0.01 . 1 . . . . . 83 LYS C . 52150 1 884 . 1 . 1 83 83 LYS CA C 13 57.15 0.01 . 1 . . . . . 83 LYS CA . 52150 1 885 . 1 . 1 83 83 LYS CB C 13 36.52 0.01 . 1 . . . . . 83 LYS CB . 52150 1 886 . 1 . 1 83 83 LYS N N 15 119.03 0.01 . 1 . . . . . 83 LYS N . 52150 1 887 . 1 . 1 84 84 ASN H H 1 9.57 0.01 . 1 . . . . . 84 ASN H . 52150 1 888 . 1 . 1 84 84 ASN HA H 1 4.70 0.01 . 1 . . . . . 84 ASN HA . 52150 1 889 . 1 . 1 84 84 ASN HB2 H 1 2.97 0.01 . 2 . . . . . 84 ASN HB2 . 52150 1 890 . 1 . 1 84 84 ASN HB3 H 1 3.30 0.01 . 2 . . . . . 84 ASN HB3 . 52150 1 891 . 1 . 1 84 84 ASN C C 13 175.34 0.01 . 1 . . . . . 84 ASN C . 52150 1 892 . 1 . 1 84 84 ASN CA C 13 54.71 0.01 . 1 . . . . . 84 ASN CA . 52150 1 893 . 1 . 1 84 84 ASN CB C 13 37.22 0.01 . 1 . . . . . 84 ASN CB . 52150 1 894 . 1 . 1 84 84 ASN N N 15 126.26 0.01 . 1 . . . . . 84 ASN N . 52150 1 895 . 1 . 1 85 85 GLY H H 1 9.31 0.01 . 1 . . . . . 85 GLY H . 52150 1 896 . 1 . 1 85 85 GLY HA2 H 1 3.94 0.01 . 2 . . . . . 85 GLY HA2 . 52150 1 897 . 1 . 1 85 85 GLY HA3 H 1 4.42 0.01 . 2 . . . . . 85 GLY HA3 . 52150 1 898 . 1 . 1 85 85 GLY C C 13 173.41 0.01 . 1 . . . . . 85 GLY C . 52150 1 899 . 1 . 1 85 85 GLY CA C 13 46.20 0.01 . 1 . . . . . 85 GLY CA . 52150 1 900 . 1 . 1 85 85 GLY N N 15 104.21 0.01 . 1 . . . . . 85 GLY N . 52150 1 901 . 1 . 1 86 86 GLU H H 1 7.90 0.01 . 1 . . . . . 86 GLU H . 52150 1 902 . 1 . 1 86 86 GLU HA H 1 4.93 0.01 . 1 . . . . . 86 GLU HA . 52150 1 903 . 1 . 1 86 86 GLU HB2 H 1 2.16 0.01 . 2 . . . . . 86 GLU HB2 . 52150 1 904 . 1 . 1 86 86 GLU HB3 H 1 2.25 0.01 . 2 . . . . . 86 GLU HB3 . 52150 1 905 . 1 . 1 86 86 GLU HG2 H 1 2.36 0.01 . 2 . . . . . 86 GLU HG2 . 52150 1 906 . 1 . 1 86 86 GLU HG3 H 1 2.45 0.01 . 2 . . . . . 86 GLU HG3 . 52150 1 907 . 1 . 1 86 86 GLU C C 13 175.20 0.01 . 1 . . . . . 86 GLU C . 52150 1 908 . 1 . 1 86 86 GLU CA C 13 54.12 0.01 . 1 . . . . . 86 GLU CA . 52150 1 909 . 1 . 1 86 86 GLU CB C 13 33.15 0.01 . 1 . . . . . 86 GLU CB . 52150 1 910 . 1 . 1 86 86 GLU N N 15 119.65 0.01 . 1 . . . . . 86 GLU N . 52150 1 911 . 1 . 1 87 87 LYS H H 1 8.99 0.01 . 1 . . . . . 87 LYS H . 52150 1 912 . 1 . 1 87 87 LYS HA H 1 3.50 0.01 . 1 . . . . . 87 LYS HA . 52150 1 913 . 1 . 1 87 87 LYS HB2 H 1 1.73 0.01 . 2 . . . . . 87 LYS HB2 . 52150 1 914 . 1 . 1 87 87 LYS HB3 H 1 1.94 0.01 . 2 . . . . . 87 LYS HB3 . 52150 1 915 . 1 . 1 87 87 LYS HG2 H 1 1.31 0.01 . 2 . . . . . 87 LYS HG2 . 52150 1 916 . 1 . 1 87 87 LYS HG3 H 1 1.65 0.01 . 2 . . . . . 87 LYS HG3 . 52150 1 917 . 1 . 1 87 87 LYS C C 13 176.29 0.01 . 1 . . . . . 87 LYS C . 52150 1 918 . 1 . 1 87 87 LYS CA C 13 56.21 0.01 . 1 . . . . . 87 LYS CA . 52150 1 919 . 1 . 1 87 87 LYS CB C 13 31.10 0.01 . 1 . . . . . 87 LYS CB . 52150 1 920 . 1 . 1 87 87 LYS N N 15 125.39 0.01 . 1 . . . . . 87 LYS N . 52150 1 921 . 1 . 1 88 88 LYS H H 1 9.20 0.01 . 1 . . . . . 88 LYS H . 52150 1 922 . 1 . 1 88 88 LYS HA H 1 4.53 0.01 . 1 . . . . . 88 LYS HA . 52150 1 923 . 1 . 1 88 88 LYS HB2 H 1 1.05 0.01 . 2 . . . . . 88 LYS HB2 . 52150 1 924 . 1 . 1 88 88 LYS HB3 H 1 1.97 0.01 . 2 . . . . . 88 LYS HB3 . 52150 1 925 . 1 . 1 88 88 LYS HG2 H 1 1.72 0.01 . 2 . . . . . 88 LYS HG2 . 52150 1 926 . 1 . 1 88 88 LYS C C 13 176.02 0.01 . 1 . . . . . 88 LYS C . 52150 1 927 . 1 . 1 88 88 LYS CA C 13 54.02 0.01 . 1 . . . . . 88 LYS CA . 52150 1 928 . 1 . 1 88 88 LYS CB C 13 33.21 0.01 . 1 . . . . . 88 LYS CB . 52150 1 929 . 1 . 1 88 88 LYS N N 15 127.36 0.01 . 1 . . . . . 88 LYS N . 52150 1 930 . 1 . 1 89 89 ASP H H 1 7.65 0.01 . 1 . . . . . 89 ASP H . 52150 1 931 . 1 . 1 89 89 ASP HA H 1 4.89 0.01 . 1 . . . . . 89 ASP HA . 52150 1 932 . 1 . 1 89 89 ASP HB2 H 1 2.40 0.01 . 2 . . . . . 89 ASP HB2 . 52150 1 933 . 1 . 1 89 89 ASP HB3 H 1 2.63 0.01 . 2 . . . . . 89 ASP HB3 . 52150 1 934 . 1 . 1 89 89 ASP C C 13 174.39 0.01 . 1 . . . . . 89 ASP C . 52150 1 935 . 1 . 1 89 89 ASP CA C 13 52.71 0.01 . 1 . . . . . 89 ASP CA . 52150 1 936 . 1 . 1 89 89 ASP CB C 13 44.72 0.01 . 1 . . . . . 89 ASP CB . 52150 1 937 . 1 . 1 89 89 ASP N N 15 115.60 0.01 . 1 . . . . . 89 ASP N . 52150 1 938 . 1 . 1 90 90 SER H H 1 9.33 0.01 . 1 . . . . . 90 SER H . 52150 1 939 . 1 . 1 90 90 SER HA H 1 5.68 0.01 . 1 . . . . . 90 SER HA . 52150 1 940 . 1 . 1 90 90 SER HB2 H 1 3.72 0.01 . 2 . . . . . 90 SER HB2 . 52150 1 941 . 1 . 1 90 90 SER HB3 H 1 3.84 0.01 . 2 . . . . . 90 SER HB3 . 52150 1 942 . 1 . 1 90 90 SER C C 13 173.19 0.01 . 1 . . . . . 90 SER C . 52150 1 943 . 1 . 1 90 90 SER CA C 13 56.71 0.01 . 1 . . . . . 90 SER CA . 52150 1 944 . 1 . 1 90 90 SER CB C 13 66.53 0.01 . 1 . . . . . 90 SER CB . 52150 1 945 . 1 . 1 90 90 SER N N 15 113.45 0.01 . 1 . . . . . 90 SER N . 52150 1 946 . 1 . 1 91 91 VAL H H 1 9.33 0.01 . 1 . . . . . 91 VAL H . 52150 1 947 . 1 . 1 91 91 VAL HA H 1 4.48 0.01 . 1 . . . . . 91 VAL HA . 52150 1 948 . 1 . 1 91 91 VAL HB H 1 2.19 0.01 . 1 . . . . . 91 VAL HB . 52150 1 949 . 1 . 1 91 91 VAL HG11 H 1 1.01 0.01 . 2 . . . . . 91 VAL MG1 . 52150 1 950 . 1 . 1 91 91 VAL HG12 H 1 1.01 0.01 . 2 . . . . . 91 VAL MG1 . 52150 1 951 . 1 . 1 91 91 VAL HG13 H 1 1.01 0.01 . 2 . . . . . 91 VAL MG1 . 52150 1 952 . 1 . 1 91 91 VAL HG21 H 1 1.13 0.01 . 2 . . . . . 91 VAL MG2 . 52150 1 953 . 1 . 1 91 91 VAL HG22 H 1 1.13 0.01 . 2 . . . . . 91 VAL MG2 . 52150 1 954 . 1 . 1 91 91 VAL HG23 H 1 1.13 0.01 . 2 . . . . . 91 VAL MG2 . 52150 1 955 . 1 . 1 91 91 VAL C C 13 174.50 0.01 . 1 . . . . . 91 VAL C . 52150 1 956 . 1 . 1 91 91 VAL CA C 13 61.71 0.01 . 1 . . . . . 91 VAL CA . 52150 1 957 . 1 . 1 91 91 VAL CB C 13 35.23 0.01 . 1 . . . . . 91 VAL CB . 52150 1 958 . 1 . 1 91 91 VAL N N 15 122.43 0.01 . 1 . . . . . 91 VAL N . 52150 1 959 . 1 . 1 92 92 ILE H H 1 8.92 0.01 . 1 . . . . . 92 ILE H . 52150 1 960 . 1 . 1 92 92 ILE HA H 1 4.70 0.01 . 1 . . . . . 92 ILE HA . 52150 1 961 . 1 . 1 92 92 ILE HB H 1 1.87 0.01 . 1 . . . . . 92 ILE HB . 52150 1 962 . 1 . 1 92 92 ILE HG12 H 1 1.37 0.01 . 2 . . . . . 92 ILE HG12 . 52150 1 963 . 1 . 1 92 92 ILE HG13 H 1 1.47 0.01 . 2 . . . . . 92 ILE HG13 . 52150 1 964 . 1 . 1 92 92 ILE HG21 H 1 1.01 0.01 . 1 . . . . . 92 ILE MG . 52150 1 965 . 1 . 1 92 92 ILE HG22 H 1 1.01 0.01 . 1 . . . . . 92 ILE MG . 52150 1 966 . 1 . 1 92 92 ILE HG23 H 1 1.01 0.01 . 1 . . . . . 92 ILE MG . 52150 1 967 . 1 . 1 92 92 ILE HD11 H 1 1.01 0.01 . 1 . . . . . 92 ILE MD . 52150 1 968 . 1 . 1 92 92 ILE HD12 H 1 1.01 0.01 . 1 . . . . . 92 ILE MD . 52150 1 969 . 1 . 1 92 92 ILE HD13 H 1 1.01 0.01 . 1 . . . . . 92 ILE MD . 52150 1 970 . 1 . 1 92 92 ILE C C 13 175.96 0.01 . 1 . . . . . 92 ILE C . 52150 1 971 . 1 . 1 92 92 ILE CA C 13 61.62 0.01 . 1 . . . . . 92 ILE CA . 52150 1 972 . 1 . 1 92 92 ILE CB C 13 39.71 0.01 . 1 . . . . . 92 ILE CB . 52150 1 973 . 1 . 1 92 92 ILE N N 15 129.11 0.01 . 1 . . . . . 92 ILE N . 52150 1 974 . 1 . 1 93 93 GLY H H 1 8.31 0.01 . 1 . . . . . 93 GLY H . 52150 1 975 . 1 . 1 93 93 GLY HA2 H 1 3.72 0.01 . 2 . . . . . 93 GLY HA2 . 52150 1 976 . 1 . 1 93 93 GLY HA3 H 1 4.48 0.01 . 2 . . . . . 93 GLY HA3 . 52150 1 977 . 1 . 1 93 93 GLY C C 13 172.27 0.01 . 1 . . . . . 93 GLY C . 52150 1 978 . 1 . 1 93 93 GLY CA C 13 43.5 0.01 . 1 . . . . . 93 GLY CA . 52150 1 979 . 1 . 1 93 93 GLY N N 15 113.77 0.01 . 1 . . . . . 93 GLY N . 52150 1 980 . 1 . 1 94 94 ALA H H 1 8.48 0.01 . 1 . . . . . 94 ALA H . 52150 1 981 . 1 . 1 94 94 ALA HA H 1 4.28 0.01 . 1 . . . . . 94 ALA HA . 52150 1 982 . 1 . 1 94 94 ALA HB1 H 1 1.41 0.01 . 1 . . . . . 94 ALA MB . 52150 1 983 . 1 . 1 94 94 ALA HB2 H 1 1.41 0.01 . 1 . . . . . 94 ALA MB . 52150 1 984 . 1 . 1 94 94 ALA HB3 H 1 1.41 0.01 . 1 . . . . . 94 ALA MB . 52150 1 985 . 1 . 1 94 94 ALA C C 13 176.94 0.01 . 1 . . . . . 94 ALA C . 52150 1 986 . 1 . 1 94 94 ALA CA C 13 52.10 0.01 . 1 . . . . . 94 ALA CA . 52150 1 987 . 1 . 1 94 94 ALA CB C 13 17.60 0.01 . 1 . . . . . 94 ALA CB . 52150 1 988 . 1 . 1 94 94 ALA N N 15 120.61 0.01 . 1 . . . . . 94 ALA N . 52150 1 989 . 1 . 1 95 95 VAL H H 1 6.95 0.01 . 1 . . . . . 95 VAL H . 52150 1 990 . 1 . 1 95 95 VAL HA H 1 4.90 0.01 . 1 . . . . . 95 VAL HA . 52150 1 991 . 1 . 1 95 95 VAL HB H 1 2.39 0.01 . 1 . . . . . 95 VAL HB . 52150 1 992 . 1 . 1 95 95 VAL HG11 H 1 0.78 0.01 . 2 . . . . . 95 VAL MG1 . 52150 1 993 . 1 . 1 95 95 VAL HG12 H 1 0.78 0.01 . 2 . . . . . 95 VAL MG1 . 52150 1 994 . 1 . 1 95 95 VAL HG13 H 1 0.78 0.01 . 2 . . . . . 95 VAL MG1 . 52150 1 995 . 1 . 1 95 95 VAL CA C 13 58.52 0.01 . 1 . . . . . 95 VAL CA . 52150 1 996 . 1 . 1 95 95 VAL CB C 13 32.53 0.01 . 1 . . . . . 95 VAL CB . 52150 1 997 . 1 . 1 95 95 VAL N N 15 116.34 0.01 . 1 . . . . . 95 VAL N . 52150 1 998 . 1 . 1 96 96 PRO HA H 1 4.73 0.01 . 1 . . . . . 96 PRO HA . 52150 1 999 . 1 . 1 96 96 PRO HB2 H 1 2.08 0.01 . 2 . . . . . 96 PRO HB2 . 52150 1 1000 . 1 . 1 96 96 PRO HB3 H 1 2.57 0.01 . 2 . . . . . 96 PRO HB3 . 52150 1 1001 . 1 . 1 96 96 PRO HG2 H 1 2.41 0.01 . 2 . . . . . 96 PRO HG2 . 52150 1 1002 . 1 . 1 96 96 PRO HG3 H 1 2.87 0.01 . 2 . . . . . 96 PRO HG3 . 52150 1 1003 . 1 . 1 96 96 PRO HD2 H 1 3.80 0.01 . 2 . . . . . 96 PRO HD2 . 52150 1 1004 . 1 . 1 96 96 PRO C C 13 177.32 0.01 . 1 . . . . . 96 PRO C . 52150 1 1005 . 1 . 1 96 96 PRO CA C 13 61.22 0.01 . 1 . . . . . 96 PRO CA . 52150 1 1006 . 1 . 1 96 96 PRO CB C 13 32.51 0.01 . 1 . . . . . 96 PRO CB . 52150 1 1007 . 1 . 1 96 96 PRO N N 15 131.51 0.01 . 1 . . . . . 96 PRO N . 52150 1 1008 . 1 . 1 97 97 LYS H H 1 9.05 0.01 . 1 . . . . . 97 LYS H . 52150 1 1009 . 1 . 1 97 97 LYS HA H 1 3.88 0.01 . 1 . . . . . 97 LYS HA . 52150 1 1010 . 1 . 1 97 97 LYS HB2 H 1 2.04 0.01 . 2 . . . . . 97 LYS HB2 . 52150 1 1011 . 1 . 1 97 97 LYS HB3 H 1 2.12 0.01 . 2 . . . . . 97 LYS HB3 . 52150 1 1012 . 1 . 1 97 97 LYS HG2 H 1 1.56 0.01 . 2 . . . . . 97 LYS HG2 . 52150 1 1013 . 1 . 1 97 97 LYS HD2 H 1 1.62 0.01 . 2 . . . . . 97 LYS HD2 . 52150 1 1014 . 1 . 1 97 97 LYS HD3 H 1 1.69 0.01 . 2 . . . . . 97 LYS HD3 . 52150 1 1015 . 1 . 1 97 97 LYS C C 13 178.34 0.01 . 1 . . . . . 97 LYS C . 52150 1 1016 . 1 . 1 97 97 LYS CA C 13 55.31 0.01 . 1 . . . . . 97 LYS CA . 52150 1 1017 . 1 . 1 97 97 LYS CB C 13 29.72 0.01 . 1 . . . . . 97 LYS CB . 52150 1 1018 . 1 . 1 97 97 LYS N N 15 121.84 0.01 . 1 . . . . . 97 LYS N . 52150 1 1019 . 1 . 1 98 98 ALA H H 1 8.89 0.01 . 1 . . . . . 98 ALA H . 52150 1 1020 . 1 . 1 98 98 ALA HA H 1 4.28 0.01 . 1 . . . . . 98 ALA HA . 52150 1 1021 . 1 . 1 98 98 ALA HB1 H 1 1.57 0.01 . 1 . . . . . 98 ALA MB . 52150 1 1022 . 1 . 1 98 98 ALA HB2 H 1 1.57 0.01 . 1 . . . . . 98 ALA MB . 52150 1 1023 . 1 . 1 98 98 ALA HB3 H 1 1.57 0.01 . 1 . . . . . 98 ALA MB . 52150 1 1024 . 1 . 1 98 98 ALA C C 13 179.88 0.01 . 1 . . . . . 98 ALA C . 52150 1 1025 . 1 . 1 98 98 ALA CA C 13 55.05 0.01 . 1 . . . . . 98 ALA CA . 52150 1 1026 . 1 . 1 98 98 ALA CB C 13 18.31 0.01 . 1 . . . . . 98 ALA CB . 52150 1 1027 . 1 . 1 98 98 ALA N N 15 118.40 0.01 . 1 . . . . . 98 ALA N . 52150 1 1028 . 1 . 1 99 99 THR H H 1 7.45 0.01 . 1 . . . . . 99 THR H . 52150 1 1029 . 1 . 1 99 99 THR HA H 1 3.98 0.01 . 1 . . . . . 99 THR HA . 52150 1 1030 . 1 . 1 99 99 THR HB H 1 4.25 0.01 . 1 . . . . . 99 THR HB . 52150 1 1031 . 1 . 1 99 99 THR HG21 H 1 1.30 0.01 . 1 . . . . . 99 THR MG . 52150 1 1032 . 1 . 1 99 99 THR HG22 H 1 1.30 0.01 . 1 . . . . . 99 THR MG . 52150 1 1033 . 1 . 1 99 99 THR HG23 H 1 1.30 0.01 . 1 . . . . . 99 THR MG . 52150 1 1034 . 1 . 1 99 99 THR C C 13 176.56 0.01 . 1 . . . . . 99 THR C . 52150 1 1035 . 1 . 1 99 99 THR CA C 13 66.32 0.01 . 1 . . . . . 99 THR CA . 52150 1 1036 . 1 . 1 99 99 THR CB C 13 68.81 0.01 . 1 . . . . . 99 THR CB . 52150 1 1037 . 1 . 1 99 99 THR N N 15 113.86 0.01 . 1 . . . . . 99 THR N . 52150 1 1038 . 1 . 1 100 100 LEU H H 1 7.26 0.01 . 1 . . . . . 100 LEU H . 52150 1 1039 . 1 . 1 100 100 LEU HA H 1 4.28 0.01 . 1 . . . . . 100 LEU HA . 52150 1 1040 . 1 . 1 100 100 LEU HB2 H 1 1.41 0.01 . 2 . . . . . 100 LEU HB2 . 52150 1 1041 . 1 . 1 100 100 LEU HB3 H 1 2.17 0.01 . 2 . . . . . 100 LEU HB3 . 52150 1 1042 . 1 . 1 100 100 LEU HG H 1 1.76 0.01 . 1 . . . . . 100 LEU HG . 52150 1 1043 . 1 . 1 100 100 LEU HD11 H 1 0.91 0.01 . 2 . . . . . 100 LEU MD1 . 52150 1 1044 . 1 . 1 100 100 LEU HD12 H 1 0.91 0.01 . 2 . . . . . 100 LEU MD1 . 52150 1 1045 . 1 . 1 100 100 LEU HD13 H 1 0.91 0.01 . 2 . . . . . 100 LEU MD1 . 52150 1 1046 . 1 . 1 100 100 LEU HD21 H 1 1.09 0.01 . 2 . . . . . 100 LEU MD2 . 52150 1 1047 . 1 . 1 100 100 LEU HD22 H 1 1.09 0.01 . 2 . . . . . 100 LEU MD2 . 52150 1 1048 . 1 . 1 100 100 LEU HD23 H 1 1.09 0.01 . 2 . . . . . 100 LEU MD2 . 52150 1 1049 . 1 . 1 100 100 LEU C C 13 178.56 0.01 . 1 . . . . . 100 LEU C . 52150 1 1050 . 1 . 1 100 100 LEU CA C 13 57.72 0.01 . 1 . . . . . 100 LEU CA . 52150 1 1051 . 1 . 1 100 100 LEU CB C 13 43.02 0.01 . 1 . . . . . 100 LEU CB . 52150 1 1052 . 1 . 1 100 100 LEU N N 15 119.03 0.01 . 1 . . . . . 100 LEU N . 52150 1 1053 . 1 . 1 101 101 SER H H 1 9.39 0.01 . 1 . . . . . 101 SER H . 52150 1 1054 . 1 . 1 101 101 SER HA H 1 4.41 0.01 . 1 . . . . . 101 SER HA . 52150 1 1055 . 1 . 1 101 101 SER HB2 H 1 4.03 0.01 . 2 . . . . . 101 SER HB2 . 52150 1 1056 . 1 . 1 101 101 SER HB3 H 1 4.21 0.01 . 2 . . . . . 101 SER HB3 . 52150 1 1057 . 1 . 1 101 101 SER C C 13 175.47 0.01 . 1 . . . . . 101 SER C . 52150 1 1058 . 1 . 1 101 101 SER CA C 13 62.61 0.01 . 1 . . . . . 101 SER CA . 52150 1 1059 . 1 . 1 101 101 SER N N 15 116.21 0.01 . 1 . . . . . 101 SER N . 52150 1 1060 . 1 . 1 102 102 GLU H H 1 7.75 0.01 . 1 . . . . . 102 GLU H . 52150 1 1061 . 1 . 1 102 102 GLU HA H 1 4.03 0.01 . 1 . . . . . 102 GLU HA . 52150 1 1062 . 1 . 1 102 102 GLU HB2 H 1 2.25 0.01 . 2 . . . . . 102 GLU HB2 . 52150 1 1063 . 1 . 1 102 102 GLU HB3 H 1 2.18 0.01 . 2 . . . . . 102 GLU HB3 . 52150 1 1064 . 1 . 1 102 102 GLU HG2 H 1 2.50 0.01 . 2 . . . . . 102 GLU HG2 . 52150 1 1065 . 1 . 1 102 102 GLU HG3 H 1 2.41 0.01 . 2 . . . . . 102 GLU HG3 . 52150 1 1066 . 1 . 1 102 102 GLU C C 13 178.99 0.01 . 1 . . . . . 102 GLU C . 52150 1 1067 . 1 . 1 102 102 GLU CA C 13 59.72 0.01 . 1 . . . . . 102 GLU CA . 52150 1 1068 . 1 . 1 102 102 GLU CB C 13 29.13 0.01 . 1 . . . . . 102 GLU CB . 52150 1 1069 . 1 . 1 102 102 GLU N N 15 120.59 0.01 . 1 . . . . . 102 GLU N . 52150 1 1070 . 1 . 1 103 103 LYS H H 1 6.93 0.01 . 1 . . . . . 103 LYS H . 52150 1 1071 . 1 . 1 103 103 LYS HA H 1 4.03 0.01 . 1 . . . . . 103 LYS HA . 52150 1 1072 . 1 . 1 103 103 LYS HB2 H 1 1.84 0.01 . 2 . . . . . 103 LYS HB2 . 52150 1 1073 . 1 . 1 103 103 LYS HB3 H 1 1.96 0.01 . 2 . . . . . 103 LYS HB3 . 52150 1 1074 . 1 . 1 103 103 LYS HG2 H 1 1.43 0.01 . 2 . . . . . 103 LYS HG2 . 52150 1 1075 . 1 . 1 103 103 LYS HG3 H 1 1.59 0.01 . 2 . . . . . 103 LYS HG3 . 52150 1 1076 . 1 . 1 103 103 LYS C C 13 177.64 0.01 . 1 . . . . . 103 LYS C . 52150 1 1077 . 1 . 1 103 103 LYS CA C 13 58.04 0.01 . 1 . . . . . 103 LYS CA . 52150 1 1078 . 1 . 1 103 103 LYS CB C 13 32.62 0.01 . 1 . . . . . 103 LYS CB . 52150 1 1079 . 1 . 1 103 103 LYS N N 15 116.21 0.01 . 1 . . . . . 103 LYS N . 52150 1 1080 . 1 . 1 104 104 VAL H H 1 8.08 0.01 . 1 . . . . . 104 VAL H . 52150 1 1081 . 1 . 1 104 104 VAL HA H 1 3.38 0.01 . 1 . . . . . 104 VAL HA . 52150 1 1082 . 1 . 1 104 104 VAL HB H 1 2.05 0.01 . 1 . . . . . 104 VAL HB . 52150 1 1083 . 1 . 1 104 104 VAL HG11 H 1 0.16 0.01 . 2 . . . . . 104 VAL MG1 . 52150 1 1084 . 1 . 1 104 104 VAL HG12 H 1 0.16 0.01 . 2 . . . . . 104 VAL MG1 . 52150 1 1085 . 1 . 1 104 104 VAL HG13 H 1 0.16 0.01 . 2 . . . . . 104 VAL MG1 . 52150 1 1086 . 1 . 1 104 104 VAL HG21 H 1 1.05 0.01 . 2 . . . . . 104 VAL MG2 . 52150 1 1087 . 1 . 1 104 104 VAL HG22 H 1 1.05 0.01 . 2 . . . . . 104 VAL MG2 . 52150 1 1088 . 1 . 1 104 104 VAL HG23 H 1 1.05 0.01 . 2 . . . . . 104 VAL MG2 . 52150 1 1089 . 1 . 1 104 104 VAL C C 13 178.14 0.01 . 1 . . . . . 104 VAL C . 52150 1 1090 . 1 . 1 104 104 VAL CA C 13 67.41 0.01 . 1 . . . . . 104 VAL CA . 52150 1 1091 . 1 . 1 104 104 VAL CB C 13 31.42 0.01 . 1 . . . . . 104 VAL CB . 52150 1 1092 . 1 . 1 104 104 VAL N N 15 118.40 0.01 . 1 . . . . . 104 VAL N . 52150 1 1093 . 1 . 1 105 105 GLU H H 1 7.88 0.01 . 1 . . . . . 105 GLU H . 52150 1 1094 . 1 . 1 105 105 GLU HA H 1 3.80 0.01 . 1 . . . . . 105 GLU HA . 52150 1 1095 . 1 . 1 105 105 GLU HB2 H 1 2.04 0.01 . 2 . . . . . 105 GLU HB2 . 52150 1 1096 . 1 . 1 105 105 GLU HB3 H 1 2.16 0.01 . 2 . . . . . 105 GLU HB3 . 52150 1 1097 . 1 . 1 105 105 GLU HG2 H 1 2.28 0.01 . 2 . . . . . 105 GLU HG2 . 52150 1 1098 . 1 . 1 105 105 GLU HG3 H 1 2.58 0.01 . 2 . . . . . 105 GLU HG3 . 52150 1 1099 . 1 . 1 105 105 GLU C C 13 177.58 0.01 . 1 . . . . . 105 GLU C . 52150 1 1100 . 1 . 1 105 105 GLU CA C 13 58.81 0.01 . 1 . . . . . 105 GLU CA . 52150 1 1101 . 1 . 1 105 105 GLU CB C 13 28.92 0.01 . 1 . . . . . 105 GLU CB . 52150 1 1102 . 1 . 1 105 105 GLU N N 15 112.78 0.01 . 1 . . . . . 105 GLU N . 52150 1 1103 . 1 . 1 106 106 LYS H H 1 7.30 0.01 . 1 . . . . . 106 LYS H . 52150 1 1104 . 1 . 1 106 106 LYS HA H 1 4.04 0.01 . 1 . . . . . 106 LYS HA . 52150 1 1105 . 1 . 1 106 106 LYS HB2 H 1 1.82 0.01 . 2 . . . . . 106 LYS HB2 . 52150 1 1106 . 1 . 1 106 106 LYS HB3 H 1 2.04 0.01 . 2 . . . . . 106 LYS HB3 . 52150 1 1107 . 1 . 1 106 106 LYS HG2 H 1 1.40 0.01 . 2 . . . . . 106 LYS HG2 . 52150 1 1108 . 1 . 1 106 106 LYS HG3 H 1 1.59 0.01 . 2 . . . . . 106 LYS HG3 . 52150 1 1109 . 1 . 1 106 106 LYS HD2 H 1 1.71 0.01 . 2 . . . . . 106 LYS HD2 . 52150 1 1110 . 1 . 1 106 106 LYS C C 13 178.25 0.01 . 1 . . . . . 106 LYS C . 52150 1 1111 . 1 . 1 106 106 LYS CA C 13 57.74 0.01 . 1 . . . . . 106 LYS CA . 52150 1 1112 . 1 . 1 106 106 LYS CB C 13 31.72 0.01 . 1 . . . . . 106 LYS CB . 52150 1 1113 . 1 . 1 106 106 LYS N N 15 116.80 0.01 . 1 . . . . . 106 LYS N . 52150 1 1114 . 1 . 1 107 107 TYR H H 1 7.40 0.01 . 1 . . . . . 107 TYR H . 52150 1 1115 . 1 . 1 107 107 TYR HA H 1 4.85 0.01 . 1 . . . . . 107 TYR HA . 52150 1 1116 . 1 . 1 107 107 TYR HB2 H 1 2.57 0.01 . 2 . . . . . 107 TYR HB2 . 52150 1 1117 . 1 . 1 107 107 TYR HB3 H 1 3.46 0.01 . 2 . . . . . 107 TYR HB3 . 52150 1 1118 . 1 . 1 107 107 TYR HD1 H 1 7.12 0.01 . 3 . . . . . 107 TYR HD1 . 52150 1 1119 . 1 . 1 107 107 TYR HD2 H 1 7.12 0.01 . 3 . . . . . 107 TYR HD2 . 52150 1 1120 . 1 . 1 107 107 TYR HE1 H 1 6.87 0.01 . 3 . . . . . 107 TYR HE1 . 52150 1 1121 . 1 . 1 107 107 TYR HE2 H 1 6.87 0.01 . 3 . . . . . 107 TYR HE2 . 52150 1 1122 . 1 . 1 107 107 TYR C C 13 175.21 0.01 . 1 . . . . . 107 TYR C . 52150 1 1123 . 1 . 1 107 107 TYR CA C 13 58.82 0.01 . 1 . . . . . 107 TYR CA . 52150 1 1124 . 1 . 1 107 107 TYR CB C 13 39.93 0.01 . 1 . . . . . 107 TYR CB . 52150 1 1125 . 1 . 1 107 107 TYR N N 15 114.82 0.01 . 1 . . . . . 107 TYR N . 52150 1 1126 . 1 . 1 108 108 ILE H H 1 7.09 0.01 . 1 . . . . . 108 ILE H . 52150 1 1127 . 1 . 1 108 108 ILE HA H 1 4.31 0.01 . 1 . . . . . 108 ILE HA . 52150 1 1128 . 1 . 1 108 108 ILE HB H 1 2.27 0.01 . 1 . . . . . 108 ILE HB . 52150 1 1129 . 1 . 1 108 108 ILE HG12 H 1 1.22 0.01 . 2 . . . . . 108 ILE HG12 . 52150 1 1130 . 1 . 1 108 108 ILE HG13 H 1 1.64 0.01 . 2 . . . . . 108 ILE HG13 . 52150 1 1131 . 1 . 1 108 108 ILE HG21 H 1 0.60 0.01 . 1 . . . . . 108 ILE MG . 52150 1 1132 . 1 . 1 108 108 ILE HG22 H 1 0.60 0.01 . 1 . . . . . 108 ILE MG . 52150 1 1133 . 1 . 1 108 108 ILE HG23 H 1 0.60 0.01 . 1 . . . . . 108 ILE MG . 52150 1 1134 . 1 . 1 108 108 ILE HD11 H 1 1.02 0.01 . 1 . . . . . 108 ILE MD . 52150 1 1135 . 1 . 1 108 108 ILE HD12 H 1 1.02 0.01 . 1 . . . . . 108 ILE MD . 52150 1 1136 . 1 . 1 108 108 ILE HD13 H 1 1.02 0.01 . 1 . . . . . 108 ILE MD . 52150 1 1137 . 1 . 1 108 108 ILE CA C 13 64.03 0.01 . 1 . . . . . 108 ILE CA . 52150 1 1138 . 1 . 1 108 108 ILE CB C 13 39.92 0.01 . 1 . . . . . 108 ILE CB . 52150 1 1139 . 1 . 1 108 108 ILE N N 15 119.21 0.01 . 1 . . . . . 108 ILE N . 52150 1 stop_ save_