data_30807 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30807 _Entry.Title ; The structure of anti-CRISPR AcrIE2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-25 _Entry.Accession_date 2020-10-25 _Entry.Last_release_date 2020-11-24 _Entry.Original_release_date 2020-11-24 _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 NMR' _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 A. Pawluk A. . . . 30807 2 A. Davidson A. R. . . 30807 3 K. Maxwell K. L. . . 30807 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'VIRAL PROTEIN' . 30807 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30807 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 309 30807 '15N chemical shifts' 84 30807 '1H chemical shifts' 504 30807 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-05-21 . original BMRB . 30807 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7KIX 'BMRB Entry Tracking System' 30807 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30807 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33338493 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Anti-CRISPR AcrIE2 Binds the Type I-E CRISPR-Cas Complex But Does Not Block DNA Binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 433 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 166759 _Citation.Page_last 166759 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Mejdani M. . . . 30807 1 2 A. Pawluk A. . . . 30807 1 3 K. Maxwell K. L. . . 30807 1 4 A. Davidson A. R. . . 30807 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30807 _Assembly.ID 1 _Assembly.Name 'Anti-CRISPR protein AcrIE2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 unit_1 1 $entity_1 A A yes . . . . . . 30807 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30807 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNTYLIDPRKNNDNSGERFT VDAVDITAAAKSAAQQILGE EFEGLVYRETGESNGSGMFQ AYHHLHGTNRTETTVGYPFH VMELEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10319.222 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30807 1 2 . ASN . 30807 1 3 . THR . 30807 1 4 . TYR . 30807 1 5 . LEU . 30807 1 6 . ILE . 30807 1 7 . ASP . 30807 1 8 . PRO . 30807 1 9 . ARG . 30807 1 10 . LYS . 30807 1 11 . ASN . 30807 1 12 . ASN . 30807 1 13 . ASP . 30807 1 14 . ASN . 30807 1 15 . SER . 30807 1 16 . GLY . 30807 1 17 . GLU . 30807 1 18 . ARG . 30807 1 19 . PHE . 30807 1 20 . THR . 30807 1 21 . VAL . 30807 1 22 . ASP . 30807 1 23 . ALA . 30807 1 24 . VAL . 30807 1 25 . ASP . 30807 1 26 . ILE . 30807 1 27 . THR . 30807 1 28 . ALA . 30807 1 29 . ALA . 30807 1 30 . ALA . 30807 1 31 . LYS . 30807 1 32 . SER . 30807 1 33 . ALA . 30807 1 34 . ALA . 30807 1 35 . GLN . 30807 1 36 . GLN . 30807 1 37 . ILE . 30807 1 38 . LEU . 30807 1 39 . GLY . 30807 1 40 . GLU . 30807 1 41 . GLU . 30807 1 42 . PHE . 30807 1 43 . GLU . 30807 1 44 . GLY . 30807 1 45 . LEU . 30807 1 46 . VAL . 30807 1 47 . TYR . 30807 1 48 . ARG . 30807 1 49 . GLU . 30807 1 50 . THR . 30807 1 51 . GLY . 30807 1 52 . GLU . 30807 1 53 . SER . 30807 1 54 . ASN . 30807 1 55 . GLY . 30807 1 56 . SER . 30807 1 57 . GLY . 30807 1 58 . MET . 30807 1 59 . PHE . 30807 1 60 . GLN . 30807 1 61 . ALA . 30807 1 62 . TYR . 30807 1 63 . HIS . 30807 1 64 . HIS . 30807 1 65 . LEU . 30807 1 66 . HIS . 30807 1 67 . GLY . 30807 1 68 . THR . 30807 1 69 . ASN . 30807 1 70 . ARG . 30807 1 71 . THR . 30807 1 72 . GLU . 30807 1 73 . THR . 30807 1 74 . THR . 30807 1 75 . VAL . 30807 1 76 . GLY . 30807 1 77 . TYR . 30807 1 78 . PRO . 30807 1 79 . PHE . 30807 1 80 . HIS . 30807 1 81 . VAL . 30807 1 82 . MET . 30807 1 83 . GLU . 30807 1 84 . LEU . 30807 1 85 . GLU . 30807 1 86 . HIS . 30807 1 87 . HIS . 30807 1 88 . HIS . 30807 1 89 . HIS . 30807 1 90 . HIS . 30807 1 91 . HIS . 30807 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30807 1 . ASN 2 2 30807 1 . THR 3 3 30807 1 . TYR 4 4 30807 1 . LEU 5 5 30807 1 . ILE 6 6 30807 1 . ASP 7 7 30807 1 . PRO 8 8 30807 1 . ARG 9 9 30807 1 . LYS 10 10 30807 1 . ASN 11 11 30807 1 . ASN 12 12 30807 1 . ASP 13 13 30807 1 . ASN 14 14 30807 1 . SER 15 15 30807 1 . GLY 16 16 30807 1 . GLU 17 17 30807 1 . ARG 18 18 30807 1 . PHE 19 19 30807 1 . THR 20 20 30807 1 . VAL 21 21 30807 1 . ASP 22 22 30807 1 . ALA 23 23 30807 1 . VAL 24 24 30807 1 . ASP 25 25 30807 1 . ILE 26 26 30807 1 . THR 27 27 30807 1 . ALA 28 28 30807 1 . ALA 29 29 30807 1 . ALA 30 30 30807 1 . LYS 31 31 30807 1 . SER 32 32 30807 1 . ALA 33 33 30807 1 . ALA 34 34 30807 1 . GLN 35 35 30807 1 . GLN 36 36 30807 1 . ILE 37 37 30807 1 . LEU 38 38 30807 1 . GLY 39 39 30807 1 . GLU 40 40 30807 1 . GLU 41 41 30807 1 . PHE 42 42 30807 1 . GLU 43 43 30807 1 . GLY 44 44 30807 1 . LEU 45 45 30807 1 . VAL 46 46 30807 1 . TYR 47 47 30807 1 . ARG 48 48 30807 1 . GLU 49 49 30807 1 . THR 50 50 30807 1 . GLY 51 51 30807 1 . GLU 52 52 30807 1 . SER 53 53 30807 1 . ASN 54 54 30807 1 . GLY 55 55 30807 1 . SER 56 56 30807 1 . GLY 57 57 30807 1 . MET 58 58 30807 1 . PHE 59 59 30807 1 . GLN 60 60 30807 1 . ALA 61 61 30807 1 . TYR 62 62 30807 1 . HIS 63 63 30807 1 . HIS 64 64 30807 1 . LEU 65 65 30807 1 . HIS 66 66 30807 1 . GLY 67 67 30807 1 . THR 68 68 30807 1 . ASN 69 69 30807 1 . ARG 70 70 30807 1 . THR 71 71 30807 1 . GLU 72 72 30807 1 . THR 73 73 30807 1 . THR 74 74 30807 1 . VAL 75 75 30807 1 . GLY 76 76 30807 1 . TYR 77 77 30807 1 . PRO 78 78 30807 1 . PHE 79 79 30807 1 . HIS 80 80 30807 1 . VAL 81 81 30807 1 . MET 82 82 30807 1 . GLU 83 83 30807 1 . LEU 84 84 30807 1 . GLU 85 85 30807 1 . HIS 86 86 30807 1 . HIS 87 87 30807 1 . HIS 88 88 30807 1 . HIS 89 89 30807 1 . HIS 90 90 30807 1 . HIS 91 91 30807 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30807 _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 . 1777051 organism . 'Pseudomonas phage JBD16C' 'Pseudomonas phage JBD16C' . . Viruses . Casadabanvirus 'Pseudomonas phage JBD16C' . . . . . . . . . . . JBD16C_30 . 30807 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30807 _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 BL21' . . 511693 . . BL21 . . . . . pET15b . . . 30807 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30807 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-100% 13C; U-100% 15N] anti-CRISPR, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 anti-CRISPR '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30807 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 30807 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 200 . mM 30807 1 pH 6.8 . pH 30807 1 pressure 1 . . 30807 1 temperature 298 . K 30807 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30807 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Schmidt . . 30807 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30807 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30807 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30807 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30807 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30807 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30807 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30807 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30807 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30807 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30807 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30807 _Software.ID 5 _Software.Type . _Software.Name PINE-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30807 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30807 5 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 30807 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30807 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30807 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 500 . . . 30807 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 30807 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30807 _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 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30807 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30807 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30807 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30807 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30807 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30807 1 7 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30807 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30807 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30807 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30807 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30807 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30807 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30807 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 30807 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30807 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30807 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 30807 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 1H-15N NOESY' . . . 30807 1 2 '3D 1H-13C NOESY' . . . 30807 1 3 '2D 1H-13C HSQC' . . . 30807 1 4 '3D HNCO' . . . 30807 1 5 '3D HNCACB' . . . 30807 1 6 '3D CBCA(CO)NH' . . . 30807 1 7 '3D H(CCO)NH' . . . 30807 1 8 '3D C(CO)NH' . . . 30807 1 9 '2D 1H-15N HSQC' . . . 30807 1 10 '2D 1H-13C HSQC aromatic' . . . 30807 1 11 '3D 1H-13C NOESY aliphatic' . . . 30807 1 12 '3D HCCH-TOCSY' . . . 30807 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.162 0.000 . . . . . . A 1 MET H1 . 30807 1 2 . 1 . 1 1 1 MET HA H 1 4.383 0.000 . . . . . . A 1 MET HA . 30807 1 3 . 1 . 1 1 1 MET HB2 H 1 1.963 0.000 . . . . . . A 1 MET HB2 . 30807 1 4 . 1 . 1 1 1 MET HB3 H 1 1.963 0.000 . . . . . . A 1 MET HB3 . 30807 1 5 . 1 . 1 1 1 MET HG2 H 1 2.517 0.000 . . . . . . A 1 MET HG2 . 30807 1 6 . 1 . 1 1 1 MET HG3 H 1 2.517 0.000 . . . . . . A 1 MET HG3 . 30807 1 7 . 1 . 1 1 1 MET HE1 H 1 1.673 0.000 . . . . . . A 1 MET HE1 . 30807 1 8 . 1 . 1 1 1 MET HE2 H 1 1.673 0.000 . . . . . . A 1 MET HE2 . 30807 1 9 . 1 . 1 1 1 MET HE3 H 1 1.673 0.000 . . . . . . A 1 MET HE3 . 30807 1 10 . 1 . 1 1 1 MET C C 13 172.796 0.000 . . . . . . A 1 MET C . 30807 1 11 . 1 . 1 1 1 MET N N 15 120.591 0.000 . . . . . . A 1 MET N . 30807 1 12 . 1 . 1 2 2 ASN H H 1 8.251 0.002 . . . . . . A 2 ASN H . 30807 1 13 . 1 . 1 2 2 ASN HA H 1 5.013 0.005 . . . . . . A 2 ASN HA . 30807 1 14 . 1 . 1 2 2 ASN HB2 H 1 2.747 0.003 . . . . . . A 2 ASN HB2 . 30807 1 15 . 1 . 1 2 2 ASN HB3 H 1 2.376 0.003 . . . . . . A 2 ASN HB3 . 30807 1 16 . 1 . 1 2 2 ASN C C 13 172.915 0.000 . . . . . . A 2 ASN C . 30807 1 17 . 1 . 1 2 2 ASN CA C 13 51.982 0.112 . . . . . . A 2 ASN CA . 30807 1 18 . 1 . 1 2 2 ASN CB C 13 41.228 0.015 . . . . . . A 2 ASN CB . 30807 1 19 . 1 . 1 2 2 ASN N N 15 121.352 0.014 . . . . . . A 2 ASN N . 30807 1 20 . 1 . 1 3 3 THR H H 1 8.546 0.002 . . . . . . A 3 THR H . 30807 1 21 . 1 . 1 3 3 THR HA H 1 5.131 0.008 . . . . . . A 3 THR HA . 30807 1 22 . 1 . 1 3 3 THR HB H 1 3.585 0.005 . . . . . . A 3 THR HB . 30807 1 23 . 1 . 1 3 3 THR HG21 H 1 1.186 0.010 . . . . . . A 3 THR HG21 . 30807 1 24 . 1 . 1 3 3 THR HG22 H 1 1.186 0.010 . . . . . . A 3 THR HG22 . 30807 1 25 . 1 . 1 3 3 THR HG23 H 1 1.186 0.010 . . . . . . A 3 THR HG23 . 30807 1 26 . 1 . 1 3 3 THR C C 13 172.457 0.000 . . . . . . A 3 THR C . 30807 1 27 . 1 . 1 3 3 THR CA C 13 62.538 0.097 . . . . . . A 3 THR CA . 30807 1 28 . 1 . 1 3 3 THR CB C 13 70.725 0.095 . . . . . . A 3 THR CB . 30807 1 29 . 1 . 1 3 3 THR CG2 C 13 22.834 0.013 . . . . . . A 3 THR CG2 . 30807 1 30 . 1 . 1 3 3 THR N N 15 116.897 0.019 . . . . . . A 3 THR N . 30807 1 31 . 1 . 1 4 4 TYR H H 1 9.437 0.004 . . . . . . A 4 TYR H . 30807 1 32 . 1 . 1 4 4 TYR HA H 1 4.848 0.007 . . . . . . A 4 TYR HA . 30807 1 33 . 1 . 1 4 4 TYR HB2 H 1 2.481 0.016 . . . . . . A 4 TYR HB2 . 30807 1 34 . 1 . 1 4 4 TYR HB3 H 1 2.519 0.004 . . . . . . A 4 TYR HB3 . 30807 1 35 . 1 . 1 4 4 TYR HD1 H 1 6.657 0.008 . . . . . . A 4 TYR HD1 . 30807 1 36 . 1 . 1 4 4 TYR HD2 H 1 6.657 0.008 . . . . . . A 4 TYR HD2 . 30807 1 37 . 1 . 1 4 4 TYR HE1 H 1 6.572 0.000 . . . . . . A 4 TYR HE1 . 30807 1 38 . 1 . 1 4 4 TYR HE2 H 1 6.572 0.000 . . . . . . A 4 TYR HE2 . 30807 1 39 . 1 . 1 4 4 TYR C C 13 173.461 0.000 . . . . . . A 4 TYR C . 30807 1 40 . 1 . 1 4 4 TYR CA C 13 56.915 0.097 . . . . . . A 4 TYR CA . 30807 1 41 . 1 . 1 4 4 TYR CB C 13 41.047 0.017 . . . . . . A 4 TYR CB . 30807 1 42 . 1 . 1 4 4 TYR N N 15 124.523 0.019 . . . . . . A 4 TYR N . 30807 1 43 . 1 . 1 5 5 LEU H H 1 9.382 0.009 . . . . . . A 5 LEU H . 30807 1 44 . 1 . 1 5 5 LEU HA H 1 4.557 0.008 . . . . . . A 5 LEU HA . 30807 1 45 . 1 . 1 5 5 LEU HB2 H 1 1.826 0.003 . . . . . . A 5 LEU HB2 . 30807 1 46 . 1 . 1 5 5 LEU HB3 H 1 1.212 0.002 . . . . . . A 5 LEU HB3 . 30807 1 47 . 1 . 1 5 5 LEU HG H 1 0.861 0.000 . . . . . . A 5 LEU HG . 30807 1 48 . 1 . 1 5 5 LEU HD11 H 1 0.763 0.000 . . . . . . A 5 LEU HD11 . 30807 1 49 . 1 . 1 5 5 LEU HD12 H 1 0.763 0.000 . . . . . . A 5 LEU HD12 . 30807 1 50 . 1 . 1 5 5 LEU HD13 H 1 0.763 0.000 . . . . . . A 5 LEU HD13 . 30807 1 51 . 1 . 1 5 5 LEU C C 13 174.921 0.000 . . . . . . A 5 LEU C . 30807 1 52 . 1 . 1 5 5 LEU CA C 13 54.071 0.105 . . . . . . A 5 LEU CA . 30807 1 53 . 1 . 1 5 5 LEU CB C 13 45.072 0.017 . . . . . . A 5 LEU CB . 30807 1 54 . 1 . 1 5 5 LEU CG C 13 26.287 0.017 . . . . . . A 5 LEU CG . 30807 1 55 . 1 . 1 5 5 LEU CD1 C 13 23.827 0.012 . . . . . . A 5 LEU CD1 . 30807 1 56 . 1 . 1 5 5 LEU N N 15 124.120 0.016 . . . . . . A 5 LEU N . 30807 1 57 . 1 . 1 6 6 ILE H H 1 9.365 0.004 . . . . . . A 6 ILE H . 30807 1 58 . 1 . 1 6 6 ILE HA H 1 4.889 0.009 . . . . . . A 6 ILE HA . 30807 1 59 . 1 . 1 6 6 ILE HB H 1 0.529 0.101 . . . . . . A 6 ILE HB . 30807 1 60 . 1 . 1 6 6 ILE HG21 H 1 0.397 0.008 . . . . . . A 6 ILE HG21 . 30807 1 61 . 1 . 1 6 6 ILE HG22 H 1 0.397 0.008 . . . . . . A 6 ILE HG22 . 30807 1 62 . 1 . 1 6 6 ILE HG23 H 1 0.397 0.008 . . . . . . A 6 ILE HG23 . 30807 1 63 . 1 . 1 6 6 ILE HD11 H 1 0.478 0.000 . . . . . . A 6 ILE HD11 . 30807 1 64 . 1 . 1 6 6 ILE HD12 H 1 0.478 0.000 . . . . . . A 6 ILE HD12 . 30807 1 65 . 1 . 1 6 6 ILE HD13 H 1 0.478 0.000 . . . . . . A 6 ILE HD13 . 30807 1 66 . 1 . 1 6 6 ILE C C 13 174.696 0.000 . . . . . . A 6 ILE C . 30807 1 67 . 1 . 1 6 6 ILE CA C 13 57.366 0.000 . . . . . . A 6 ILE CA . 30807 1 68 . 1 . 1 6 6 ILE CB C 13 36.432 0.005 . . . . . . A 6 ILE CB . 30807 1 69 . 1 . 1 6 6 ILE CG1 C 13 27.299 0.000 . . . . . . A 6 ILE CG1 . 30807 1 70 . 1 . 1 6 6 ILE CG2 C 13 18.786 0.082 . . . . . . A 6 ILE CG2 . 30807 1 71 . 1 . 1 6 6 ILE CD1 C 13 12.437 0.098 . . . . . . A 6 ILE CD1 . 30807 1 72 . 1 . 1 6 6 ILE N N 15 128.792 0.012 . . . . . . A 6 ILE N . 30807 1 73 . 1 . 1 7 7 ASP H H 1 8.933 0.006 . . . . . . A 7 ASP H . 30807 1 74 . 1 . 1 7 7 ASP HA H 1 5.417 0.009 . . . . . . A 7 ASP HA . 30807 1 75 . 1 . 1 7 7 ASP HB2 H 1 3.214 0.010 . . . . . . A 7 ASP HB2 . 30807 1 76 . 1 . 1 7 7 ASP HB3 H 1 3.034 0.001 . . . . . . A 7 ASP HB3 . 30807 1 77 . 1 . 1 7 7 ASP CA C 13 49.204 0.016 . . . . . . A 7 ASP CA . 30807 1 78 . 1 . 1 7 7 ASP CB C 13 43.568 0.018 . . . . . . A 7 ASP CB . 30807 1 79 . 1 . 1 7 7 ASP N N 15 123.997 0.025 . . . . . . A 7 ASP N . 30807 1 80 . 1 . 1 8 8 PRO HA H 1 4.411 0.006 . . . . . . A 8 PRO HA . 30807 1 81 . 1 . 1 8 8 PRO HB2 H 1 2.330 0.001 . . . . . . A 8 PRO HB2 . 30807 1 82 . 1 . 1 8 8 PRO HB3 H 1 1.949 0.006 . . . . . . A 8 PRO HB3 . 30807 1 83 . 1 . 1 8 8 PRO HG2 H 1 2.338 0.001 . . . . . . A 8 PRO HG2 . 30807 1 84 . 1 . 1 8 8 PRO HG3 H 1 2.338 0.001 . . . . . . A 8 PRO HG3 . 30807 1 85 . 1 . 1 8 8 PRO C C 13 175.831 0.000 . . . . . . A 8 PRO C . 30807 1 86 . 1 . 1 8 8 PRO CA C 13 63.489 0.089 . . . . . . A 8 PRO CA . 30807 1 87 . 1 . 1 8 8 PRO CB C 13 33.273 0.042 . . . . . . A 8 PRO CB . 30807 1 88 . 1 . 1 8 8 PRO CG C 13 27.837 0.000 . . . . . . A 8 PRO CG . 30807 1 89 . 1 . 1 8 8 PRO CD C 13 51.928 0.000 . . . . . . A 8 PRO CD . 30807 1 90 . 1 . 1 9 9 ARG H H 1 8.871 0.004 . . . . . . A 9 ARG H . 30807 1 91 . 1 . 1 9 9 ARG HA H 1 3.832 0.005 . . . . . . A 9 ARG HA . 30807 1 92 . 1 . 1 9 9 ARG HB2 H 1 2.671 0.000 . . . . . . A 9 ARG HB2 . 30807 1 93 . 1 . 1 9 9 ARG HG2 H 1 1.732 0.000 . . . . . . A 9 ARG HG2 . 30807 1 94 . 1 . 1 9 9 ARG HD2 H 1 1.928 0.000 . . . . . . A 9 ARG HD2 . 30807 1 95 . 1 . 1 9 9 ARG C C 13 177.570 0.000 . . . . . . A 9 ARG C . 30807 1 96 . 1 . 1 9 9 ARG CA C 13 56.532 0.000 . . . . . . A 9 ARG CA . 30807 1 97 . 1 . 1 9 9 ARG CB C 13 28.005 0.015 . . . . . . A 9 ARG CB . 30807 1 98 . 1 . 1 9 9 ARG CG C 13 26.911 0.008 . . . . . . A 9 ARG CG . 30807 1 99 . 1 . 1 9 9 ARG N N 15 116.794 0.021 . . . . . . A 9 ARG N . 30807 1 100 . 1 . 1 10 10 LYS H H 1 8.928 0.004 . . . . . . A 10 LYS H . 30807 1 101 . 1 . 1 10 10 LYS HA H 1 3.862 0.008 . . . . . . A 10 LYS HA . 30807 1 102 . 1 . 1 10 10 LYS HB2 H 1 1.535 0.009 . . . . . . A 10 LYS HB2 . 30807 1 103 . 1 . 1 10 10 LYS HB3 H 1 1.255 0.004 . . . . . . A 10 LYS HB3 . 30807 1 104 . 1 . 1 10 10 LYS HG2 H 1 1.259 0.008 . . . . . . A 10 LYS HG2 . 30807 1 105 . 1 . 1 10 10 LYS HG3 H 1 1.044 0.003 . . . . . . A 10 LYS HG3 . 30807 1 106 . 1 . 1 10 10 LYS HD2 H 1 1.046 0.009 . . . . . . A 10 LYS HD2 . 30807 1 107 . 1 . 1 10 10 LYS HD3 H 1 1.046 0.009 . . . . . . A 10 LYS HD3 . 30807 1 108 . 1 . 1 10 10 LYS C C 13 178.399 0.000 . . . . . . A 10 LYS C . 30807 1 109 . 1 . 1 10 10 LYS CA C 13 59.328 0.110 . . . . . . A 10 LYS CA . 30807 1 110 . 1 . 1 10 10 LYS CB C 13 31.784 0.017 . . . . . . A 10 LYS CB . 30807 1 111 . 1 . 1 10 10 LYS CG C 13 25.662 0.018 . . . . . . A 10 LYS CG . 30807 1 112 . 1 . 1 10 10 LYS CD C 13 29.045 0.000 . . . . . . A 10 LYS CD . 30807 1 113 . 1 . 1 10 10 LYS CE C 13 41.914 0.000 . . . . . . A 10 LYS CE . 30807 1 114 . 1 . 1 10 10 LYS N N 15 122.792 0.019 . . . . . . A 10 LYS N . 30807 1 115 . 1 . 1 11 11 ASN H H 1 8.252 0.004 . . . . . . A 11 ASN H . 30807 1 116 . 1 . 1 11 11 ASN HA H 1 4.540 0.006 . . . . . . A 11 ASN HA . 30807 1 117 . 1 . 1 11 11 ASN HB2 H 1 2.678 0.006 . . . . . . A 11 ASN HB2 . 30807 1 118 . 1 . 1 11 11 ASN HB3 H 1 2.678 0.006 . . . . . . A 11 ASN HB3 . 30807 1 119 . 1 . 1 11 11 ASN C C 13 174.991 0.000 . . . . . . A 11 ASN C . 30807 1 120 . 1 . 1 11 11 ASN CA C 13 56.653 0.099 . . . . . . A 11 ASN CA . 30807 1 121 . 1 . 1 11 11 ASN CB C 13 39.623 0.017 . . . . . . A 11 ASN CB . 30807 1 122 . 1 . 1 11 11 ASN N N 15 114.321 0.035 . . . . . . A 11 ASN N . 30807 1 123 . 1 . 1 12 12 ASN H H 1 8.019 0.004 . . . . . . A 12 ASN H . 30807 1 124 . 1 . 1 12 12 ASN HA H 1 4.936 0.002 . . . . . . A 12 ASN HA . 30807 1 125 . 1 . 1 12 12 ASN HB2 H 1 3.059 0.004 . . . . . . A 12 ASN HB2 . 30807 1 126 . 1 . 1 12 12 ASN HB3 H 1 2.773 0.004 . . . . . . A 12 ASN HB3 . 30807 1 127 . 1 . 1 12 12 ASN C C 13 174.976 0.000 . . . . . . A 12 ASN C . 30807 1 128 . 1 . 1 12 12 ASN CA C 13 52.423 0.097 . . . . . . A 12 ASN CA . 30807 1 129 . 1 . 1 12 12 ASN CB C 13 38.073 0.031 . . . . . . A 12 ASN CB . 30807 1 130 . 1 . 1 12 12 ASN N N 15 116.510 0.016 . . . . . . A 12 ASN N . 30807 1 131 . 1 . 1 13 13 ASP H H 1 8.077 0.005 . . . . . . A 13 ASP H . 30807 1 132 . 1 . 1 13 13 ASP HA H 1 4.269 0.004 . . . . . . A 13 ASP HA . 30807 1 133 . 1 . 1 13 13 ASP HB2 H 1 2.917 0.006 . . . . . . A 13 ASP HB2 . 30807 1 134 . 1 . 1 13 13 ASP HB3 H 1 2.581 0.005 . . . . . . A 13 ASP HB3 . 30807 1 135 . 1 . 1 13 13 ASP C C 13 175.212 0.000 . . . . . . A 13 ASP C . 30807 1 136 . 1 . 1 13 13 ASP CA C 13 55.693 0.097 . . . . . . A 13 ASP CA . 30807 1 137 . 1 . 1 13 13 ASP CB C 13 39.704 0.018 . . . . . . A 13 ASP CB . 30807 1 138 . 1 . 1 13 13 ASP N N 15 117.073 0.020 . . . . . . A 13 ASP N . 30807 1 139 . 1 . 1 14 14 ASN H H 1 8.439 0.003 . . . . . . A 14 ASN H . 30807 1 140 . 1 . 1 14 14 ASN HA H 1 4.517 0.006 . . . . . . A 14 ASN HA . 30807 1 141 . 1 . 1 14 14 ASN HB2 H 1 2.886 0.003 . . . . . . A 14 ASN HB2 . 30807 1 142 . 1 . 1 14 14 ASN HB3 H 1 2.688 0.005 . . . . . . A 14 ASN HB3 . 30807 1 143 . 1 . 1 14 14 ASN C C 13 175.767 0.000 . . . . . . A 14 ASN C . 30807 1 144 . 1 . 1 14 14 ASN CA C 13 54.329 0.095 . . . . . . A 14 ASN CA . 30807 1 145 . 1 . 1 14 14 ASN CB C 13 37.704 0.020 . . . . . . A 14 ASN CB . 30807 1 146 . 1 . 1 14 14 ASN N N 15 113.902 0.023 . . . . . . A 14 ASN N . 30807 1 147 . 1 . 1 15 15 SER H H 1 7.692 0.004 . . . . . . A 15 SER H . 30807 1 148 . 1 . 1 15 15 SER HA H 1 4.245 0.012 . . . . . . A 15 SER HA . 30807 1 149 . 1 . 1 15 15 SER HB2 H 1 4.015 0.007 . . . . . . A 15 SER HB2 . 30807 1 150 . 1 . 1 15 15 SER HB3 H 1 4.015 0.007 . . . . . . A 15 SER HB3 . 30807 1 151 . 1 . 1 15 15 SER C C 13 176.125 0.000 . . . . . . A 15 SER C . 30807 1 152 . 1 . 1 15 15 SER CA C 13 59.762 0.099 . . . . . . A 15 SER CA . 30807 1 153 . 1 . 1 15 15 SER CB C 13 64.087 0.114 . . . . . . A 15 SER CB . 30807 1 154 . 1 . 1 15 15 SER N N 15 114.314 0.031 . . . . . . A 15 SER N . 30807 1 155 . 1 . 1 16 16 GLY H H 1 9.048 0.003 . . . . . . A 16 GLY H . 30807 1 156 . 1 . 1 16 16 GLY HA2 H 1 4.071 0.001 . . . . . . A 16 GLY HA2 . 30807 1 157 . 1 . 1 16 16 GLY HA3 H 1 3.800 0.018 . . . . . . A 16 GLY HA3 . 30807 1 158 . 1 . 1 16 16 GLY C C 13 174.017 0.000 . . . . . . A 16 GLY C . 30807 1 159 . 1 . 1 16 16 GLY CA C 13 45.201 0.001 . . . . . . A 16 GLY CA . 30807 1 160 . 1 . 1 16 16 GLY N N 15 111.409 0.013 . . . . . . A 16 GLY N . 30807 1 161 . 1 . 1 17 17 GLU H H 1 7.851 0.003 . . . . . . A 17 GLU H . 30807 1 162 . 1 . 1 17 17 GLU HA H 1 4.355 0.003 . . . . . . A 17 GLU HA . 30807 1 163 . 1 . 1 17 17 GLU HB2 H 1 2.055 0.007 . . . . . . A 17 GLU HB2 . 30807 1 164 . 1 . 1 17 17 GLU HB3 H 1 1.885 0.004 . . . . . . A 17 GLU HB3 . 30807 1 165 . 1 . 1 17 17 GLU HG2 H 1 2.304 0.006 . . . . . . A 17 GLU HG2 . 30807 1 166 . 1 . 1 17 17 GLU HG3 H 1 2.213 0.006 . . . . . . A 17 GLU HG3 . 30807 1 167 . 1 . 1 17 17 GLU C C 13 175.789 0.000 . . . . . . A 17 GLU C . 30807 1 168 . 1 . 1 17 17 GLU CA C 13 56.872 0.078 . . . . . . A 17 GLU CA . 30807 1 169 . 1 . 1 17 17 GLU CB C 13 29.991 0.001 . . . . . . A 17 GLU CB . 30807 1 170 . 1 . 1 17 17 GLU CG C 13 36.300 0.013 . . . . . . A 17 GLU CG . 30807 1 171 . 1 . 1 17 17 GLU N N 15 121.249 0.015 . . . . . . A 17 GLU N . 30807 1 172 . 1 . 1 18 18 ARG H H 1 8.286 0.002 . . . . . . A 18 ARG H . 30807 1 173 . 1 . 1 18 18 ARG HA H 1 4.966 0.008 . . . . . . A 18 ARG HA . 30807 1 174 . 1 . 1 18 18 ARG HB2 H 1 1.848 0.006 . . . . . . A 18 ARG HB2 . 30807 1 175 . 1 . 1 18 18 ARG HB3 H 1 1.848 0.006 . . . . . . A 18 ARG HB3 . 30807 1 176 . 1 . 1 18 18 ARG HG2 H 1 1.757 0.016 . . . . . . A 18 ARG HG2 . 30807 1 177 . 1 . 1 18 18 ARG HG3 H 1 1.603 0.007 . . . . . . A 18 ARG HG3 . 30807 1 178 . 1 . 1 18 18 ARG HD2 H 1 3.193 0.001 . . . . . . A 18 ARG HD2 . 30807 1 179 . 1 . 1 18 18 ARG HD3 H 1 3.035 0.001 . . . . . . A 18 ARG HD3 . 30807 1 180 . 1 . 1 18 18 ARG C C 13 175.648 0.000 . . . . . . A 18 ARG C . 30807 1 181 . 1 . 1 18 18 ARG CA C 13 55.643 0.100 . . . . . . A 18 ARG CA . 30807 1 182 . 1 . 1 18 18 ARG CB C 13 33.622 0.013 . . . . . . A 18 ARG CB . 30807 1 183 . 1 . 1 18 18 ARG CG C 13 27.993 0.015 . . . . . . A 18 ARG CG . 30807 1 184 . 1 . 1 18 18 ARG CD C 13 43.807 0.014 . . . . . . A 18 ARG CD . 30807 1 185 . 1 . 1 18 18 ARG N N 15 122.919 0.013 . . . . . . A 18 ARG N . 30807 1 186 . 1 . 1 19 19 PHE H H 1 8.159 0.003 . . . . . . A 19 PHE H . 30807 1 187 . 1 . 1 19 19 PHE HA H 1 5.200 0.006 . . . . . . A 19 PHE HA . 30807 1 188 . 1 . 1 19 19 PHE HB2 H 1 3.305 0.004 . . . . . . A 19 PHE HB2 . 30807 1 189 . 1 . 1 19 19 PHE HB3 H 1 3.126 0.004 . . . . . . A 19 PHE HB3 . 30807 1 190 . 1 . 1 19 19 PHE HD1 H 1 7.123 0.000 . . . . . . A 19 PHE HD1 . 30807 1 191 . 1 . 1 19 19 PHE HD2 H 1 7.123 0.000 . . . . . . A 19 PHE HD2 . 30807 1 192 . 1 . 1 19 19 PHE HE1 H 1 6.896 0.001 . . . . . . A 19 PHE HE1 . 30807 1 193 . 1 . 1 19 19 PHE HE2 H 1 6.896 0.001 . . . . . . A 19 PHE HE2 . 30807 1 194 . 1 . 1 19 19 PHE C C 13 172.837 0.000 . . . . . . A 19 PHE C . 30807 1 195 . 1 . 1 19 19 PHE CA C 13 55.919 0.117 . . . . . . A 19 PHE CA . 30807 1 196 . 1 . 1 19 19 PHE CB C 13 40.923 0.015 . . . . . . A 19 PHE CB . 30807 1 197 . 1 . 1 19 19 PHE N N 15 115.849 0.017 . . . . . . A 19 PHE N . 30807 1 198 . 1 . 1 20 20 THR H H 1 8.494 0.003 . . . . . . A 20 THR H . 30807 1 199 . 1 . 1 20 20 THR HA H 1 5.846 0.013 . . . . . . A 20 THR HA . 30807 1 200 . 1 . 1 20 20 THR HB H 1 4.121 0.006 . . . . . . A 20 THR HB . 30807 1 201 . 1 . 1 20 20 THR HG21 H 1 1.030 0.008 . . . . . . A 20 THR HG21 . 30807 1 202 . 1 . 1 20 20 THR HG22 H 1 1.030 0.008 . . . . . . A 20 THR HG22 . 30807 1 203 . 1 . 1 20 20 THR HG23 H 1 1.030 0.008 . . . . . . A 20 THR HG23 . 30807 1 204 . 1 . 1 20 20 THR C C 13 174.950 0.000 . . . . . . A 20 THR C . 30807 1 205 . 1 . 1 20 20 THR CA C 13 59.317 0.093 . . . . . . A 20 THR CA . 30807 1 206 . 1 . 1 20 20 THR CB C 13 71.826 0.104 . . . . . . A 20 THR CB . 30807 1 207 . 1 . 1 20 20 THR CG2 C 13 21.657 0.014 . . . . . . A 20 THR CG2 . 30807 1 208 . 1 . 1 20 20 THR N N 15 109.208 0.031 . . . . . . A 20 THR N . 30807 1 209 . 1 . 1 21 21 VAL H H 1 8.789 0.004 . . . . . . A 21 VAL H . 30807 1 210 . 1 . 1 21 21 VAL HA H 1 4.597 0.007 . . . . . . A 21 VAL HA . 30807 1 211 . 1 . 1 21 21 VAL HB H 1 2.061 0.004 . . . . . . A 21 VAL HB . 30807 1 212 . 1 . 1 21 21 VAL HG11 H 1 1.006 0.011 . . . . . . A 21 VAL HG11 . 30807 1 213 . 1 . 1 21 21 VAL HG12 H 1 1.006 0.011 . . . . . . A 21 VAL HG12 . 30807 1 214 . 1 . 1 21 21 VAL HG13 H 1 1.006 0.011 . . . . . . A 21 VAL HG13 . 30807 1 215 . 1 . 1 21 21 VAL HG21 H 1 0.927 0.004 . . . . . . A 21 VAL HG21 . 30807 1 216 . 1 . 1 21 21 VAL HG22 H 1 0.927 0.004 . . . . . . A 21 VAL HG22 . 30807 1 217 . 1 . 1 21 21 VAL HG23 H 1 0.927 0.004 . . . . . . A 21 VAL HG23 . 30807 1 218 . 1 . 1 21 21 VAL C C 13 173.695 0.000 . . . . . . A 21 VAL C . 30807 1 219 . 1 . 1 21 21 VAL CA C 13 60.255 0.091 . . . . . . A 21 VAL CA . 30807 1 220 . 1 . 1 21 21 VAL CB C 13 36.425 0.018 . . . . . . A 21 VAL CB . 30807 1 221 . 1 . 1 21 21 VAL CG1 C 13 21.956 0.034 . . . . . . A 21 VAL CG1 . 30807 1 222 . 1 . 1 21 21 VAL CG2 C 13 20.872 0.003 . . . . . . A 21 VAL CG2 . 30807 1 223 . 1 . 1 21 21 VAL N N 15 115.409 0.027 . . . . . . A 21 VAL N . 30807 1 224 . 1 . 1 22 22 ASP H H 1 8.611 0.003 . . . . . . A 22 ASP H . 30807 1 225 . 1 . 1 22 22 ASP HA H 1 5.998 0.009 . . . . . . A 22 ASP HA . 30807 1 226 . 1 . 1 22 22 ASP HB2 H 1 2.519 0.006 . . . . . . A 22 ASP HB2 . 30807 1 227 . 1 . 1 22 22 ASP HB3 H 1 2.519 0.006 . . . . . . A 22 ASP HB3 . 30807 1 228 . 1 . 1 22 22 ASP C C 13 176.123 0.000 . . . . . . A 22 ASP C . 30807 1 229 . 1 . 1 22 22 ASP CA C 13 52.650 0.101 . . . . . . A 22 ASP CA . 30807 1 230 . 1 . 1 22 22 ASP CB C 13 41.379 0.000 . . . . . . A 22 ASP CB . 30807 1 231 . 1 . 1 22 22 ASP N N 15 125.378 0.017 . . . . . . A 22 ASP N . 30807 1 232 . 1 . 1 23 23 ALA H H 1 9.333 0.004 . . . . . . A 23 ALA H . 30807 1 233 . 1 . 1 23 23 ALA HA H 1 4.746 0.010 . . . . . . A 23 ALA HA . 30807 1 234 . 1 . 1 23 23 ALA HB1 H 1 1.373 0.008 . . . . . . A 23 ALA HB1 . 30807 1 235 . 1 . 1 23 23 ALA HB2 H 1 1.373 0.008 . . . . . . A 23 ALA HB2 . 30807 1 236 . 1 . 1 23 23 ALA HB3 H 1 1.373 0.008 . . . . . . A 23 ALA HB3 . 30807 1 237 . 1 . 1 23 23 ALA C C 13 177.529 0.000 . . . . . . A 23 ALA C . 30807 1 238 . 1 . 1 23 23 ALA CA C 13 51.748 0.000 . . . . . . A 23 ALA CA . 30807 1 239 . 1 . 1 23 23 ALA CB C 13 23.212 0.013 . . . . . . A 23 ALA CB . 30807 1 240 . 1 . 1 23 23 ALA N N 15 123.980 0.019 . . . . . . A 23 ALA N . 30807 1 241 . 1 . 1 24 24 VAL H H 1 8.702 0.003 . . . . . . A 24 VAL H . 30807 1 242 . 1 . 1 24 24 VAL HA H 1 4.033 0.005 . . . . . . A 24 VAL HA . 30807 1 243 . 1 . 1 24 24 VAL HB H 1 2.156 0.004 . . . . . . A 24 VAL HB . 30807 1 244 . 1 . 1 24 24 VAL HG21 H 1 1.020 0.005 . . . . . . A 24 VAL HG21 . 30807 1 245 . 1 . 1 24 24 VAL HG22 H 1 1.020 0.005 . . . . . . A 24 VAL HG22 . 30807 1 246 . 1 . 1 24 24 VAL HG23 H 1 1.020 0.005 . . . . . . A 24 VAL HG23 . 30807 1 247 . 1 . 1 24 24 VAL C C 13 175.173 0.000 . . . . . . A 24 VAL C . 30807 1 248 . 1 . 1 24 24 VAL CA C 13 64.672 0.088 . . . . . . A 24 VAL CA . 30807 1 249 . 1 . 1 24 24 VAL CB C 13 32.294 0.003 . . . . . . A 24 VAL CB . 30807 1 250 . 1 . 1 24 24 VAL CG1 C 13 21.518 0.000 . . . . . . A 24 VAL CG1 . 30807 1 251 . 1 . 1 24 24 VAL CG2 C 13 20.199 0.008 . . . . . . A 24 VAL CG2 . 30807 1 252 . 1 . 1 24 24 VAL N N 15 115.433 0.011 . . . . . . A 24 VAL N . 30807 1 253 . 1 . 1 25 25 ASP H H 1 7.351 0.004 . . . . . . A 25 ASP H . 30807 1 254 . 1 . 1 25 25 ASP HA H 1 4.760 0.005 . . . . . . A 25 ASP HA . 30807 1 255 . 1 . 1 25 25 ASP HB2 H 1 3.086 0.004 . . . . . . A 25 ASP HB2 . 30807 1 256 . 1 . 1 25 25 ASP HB3 H 1 2.895 0.005 . . . . . . A 25 ASP HB3 . 30807 1 257 . 1 . 1 25 25 ASP C C 13 175.817 0.000 . . . . . . A 25 ASP C . 30807 1 258 . 1 . 1 25 25 ASP CA C 13 52.821 0.000 . . . . . . A 25 ASP CA . 30807 1 259 . 1 . 1 25 25 ASP CB C 13 42.401 0.014 . . . . . . A 25 ASP CB . 30807 1 260 . 1 . 1 25 25 ASP N N 15 114.879 0.015 . . . . . . A 25 ASP N . 30807 1 261 . 1 . 1 26 26 ILE H H 1 8.446 0.003 . . . . . . A 26 ILE H . 30807 1 262 . 1 . 1 26 26 ILE HA H 1 3.065 0.005 . . . . . . A 26 ILE HA . 30807 1 263 . 1 . 1 26 26 ILE HB H 1 1.742 0.003 . . . . . . A 26 ILE HB . 30807 1 264 . 1 . 1 26 26 ILE HG12 H 1 1.012 0.001 . . . . . . A 26 ILE HG12 . 30807 1 265 . 1 . 1 26 26 ILE HG13 H 1 1.091 0.002 . . . . . . A 26 ILE HG13 . 30807 1 266 . 1 . 1 26 26 ILE HG21 H 1 0.949 0.002 . . . . . . A 26 ILE HG21 . 30807 1 267 . 1 . 1 26 26 ILE HG22 H 1 0.949 0.002 . . . . . . A 26 ILE HG22 . 30807 1 268 . 1 . 1 26 26 ILE HG23 H 1 0.949 0.002 . . . . . . A 26 ILE HG23 . 30807 1 269 . 1 . 1 26 26 ILE HD11 H 1 0.830 0.000 . . . . . . A 26 ILE HD11 . 30807 1 270 . 1 . 1 26 26 ILE HD12 H 1 0.830 0.000 . . . . . . A 26 ILE HD12 . 30807 1 271 . 1 . 1 26 26 ILE HD13 H 1 0.830 0.000 . . . . . . A 26 ILE HD13 . 30807 1 272 . 1 . 1 26 26 ILE C C 13 175.401 0.000 . . . . . . A 26 ILE C . 30807 1 273 . 1 . 1 26 26 ILE CA C 13 64.431 0.102 . . . . . . A 26 ILE CA . 30807 1 274 . 1 . 1 26 26 ILE CB C 13 38.430 0.008 . . . . . . A 26 ILE CB . 30807 1 275 . 1 . 1 26 26 ILE CG1 C 13 30.497 0.017 . . . . . . A 26 ILE CG1 . 30807 1 276 . 1 . 1 26 26 ILE CG2 C 13 16.465 0.093 . . . . . . A 26 ILE CG2 . 30807 1 277 . 1 . 1 26 26 ILE CD1 C 13 13.899 0.100 . . . . . . A 26 ILE CD1 . 30807 1 278 . 1 . 1 26 26 ILE N N 15 118.658 0.014 . . . . . . A 26 ILE N . 30807 1 279 . 1 . 1 27 27 THR H H 1 7.626 0.006 . . . . . . A 27 THR H . 30807 1 280 . 1 . 1 27 27 THR HA H 1 3.634 0.006 . . . . . . A 27 THR HA . 30807 1 281 . 1 . 1 27 27 THR HB H 1 4.157 0.005 . . . . . . A 27 THR HB . 30807 1 282 . 1 . 1 27 27 THR HG21 H 1 1.270 0.003 . . . . . . A 27 THR HG21 . 30807 1 283 . 1 . 1 27 27 THR HG22 H 1 1.270 0.003 . . . . . . A 27 THR HG22 . 30807 1 284 . 1 . 1 27 27 THR HG23 H 1 1.270 0.003 . . . . . . A 27 THR HG23 . 30807 1 285 . 1 . 1 27 27 THR C C 13 176.653 0.145 . . . . . . A 27 THR C . 30807 1 286 . 1 . 1 27 27 THR CA C 13 66.564 0.096 . . . . . . A 27 THR CA . 30807 1 287 . 1 . 1 27 27 THR CB C 13 67.636 0.096 . . . . . . A 27 THR CB . 30807 1 288 . 1 . 1 27 27 THR CG2 C 13 22.117 0.009 . . . . . . A 27 THR CG2 . 30807 1 289 . 1 . 1 27 27 THR N N 15 119.418 0.019 . . . . . . A 27 THR N . 30807 1 290 . 1 . 1 28 28 ALA H H 1 8.374 0.004 . . . . . . A 28 ALA H . 30807 1 291 . 1 . 1 28 28 ALA HA H 1 4.057 0.006 . . . . . . A 28 ALA HA . 30807 1 292 . 1 . 1 28 28 ALA HB1 H 1 1.488 0.004 . . . . . . A 28 ALA HB1 . 30807 1 293 . 1 . 1 28 28 ALA HB2 H 1 1.488 0.004 . . . . . . A 28 ALA HB2 . 30807 1 294 . 1 . 1 28 28 ALA HB3 H 1 1.488 0.004 . . . . . . A 28 ALA HB3 . 30807 1 295 . 1 . 1 28 28 ALA C C 13 180.838 0.000 . . . . . . A 28 ALA C . 30807 1 296 . 1 . 1 28 28 ALA CA C 13 54.888 0.139 . . . . . . A 28 ALA CA . 30807 1 297 . 1 . 1 28 28 ALA CB C 13 18.523 0.103 . . . . . . A 28 ALA CB . 30807 1 298 . 1 . 1 28 28 ALA N N 15 125.473 0.751 . . . . . . A 28 ALA N . 30807 1 299 . 1 . 1 29 29 ALA H H 1 7.831 0.004 . . . . . . A 29 ALA H . 30807 1 300 . 1 . 1 29 29 ALA HA H 1 3.504 0.011 . . . . . . A 29 ALA HA . 30807 1 301 . 1 . 1 29 29 ALA HB1 H 1 0.497 0.007 . . . . . . A 29 ALA HB1 . 30807 1 302 . 1 . 1 29 29 ALA HB2 H 1 0.497 0.007 . . . . . . A 29 ALA HB2 . 30807 1 303 . 1 . 1 29 29 ALA HB3 H 1 0.497 0.007 . . . . . . A 29 ALA HB3 . 30807 1 304 . 1 . 1 29 29 ALA C C 13 178.552 0.000 . . . . . . A 29 ALA C . 30807 1 305 . 1 . 1 29 29 ALA CA C 13 54.764 0.100 . . . . . . A 29 ALA CA . 30807 1 306 . 1 . 1 29 29 ALA CB C 13 18.151 0.103 . . . . . . A 29 ALA CB . 30807 1 307 . 1 . 1 29 29 ALA N N 15 121.752 0.022 . . . . . . A 29 ALA N . 30807 1 308 . 1 . 1 30 30 ALA H H 1 7.947 0.004 . . . . . . A 30 ALA H . 30807 1 309 . 1 . 1 30 30 ALA HA H 1 3.605 0.006 . . . . . . A 30 ALA HA . 30807 1 310 . 1 . 1 30 30 ALA HB1 H 1 0.465 0.012 . . . . . . A 30 ALA HB1 . 30807 1 311 . 1 . 1 30 30 ALA HB2 H 1 0.465 0.012 . . . . . . A 30 ALA HB2 . 30807 1 312 . 1 . 1 30 30 ALA HB3 H 1 0.465 0.012 . . . . . . A 30 ALA HB3 . 30807 1 313 . 1 . 1 30 30 ALA C C 13 179.009 0.000 . . . . . . A 30 ALA C . 30807 1 314 . 1 . 1 30 30 ALA CA C 13 55.153 0.098 . . . . . . A 30 ALA CA . 30807 1 315 . 1 . 1 30 30 ALA CB C 13 17.035 0.000 . . . . . . A 30 ALA CB . 30807 1 316 . 1 . 1 30 30 ALA N N 15 119.562 0.020 . . . . . . A 30 ALA N . 30807 1 317 . 1 . 1 31 31 LYS H H 1 7.584 0.004 . . . . . . A 31 LYS H . 30807 1 318 . 1 . 1 31 31 LYS HA H 1 3.933 0.004 . . . . . . A 31 LYS HA . 30807 1 319 . 1 . 1 31 31 LYS HB2 H 1 2.000 0.008 . . . . . . A 31 LYS HB2 . 30807 1 320 . 1 . 1 31 31 LYS HB3 H 1 1.917 0.005 . . . . . . A 31 LYS HB3 . 30807 1 321 . 1 . 1 31 31 LYS HG2 H 1 1.591 0.005 . . . . . . A 31 LYS HG2 . 30807 1 322 . 1 . 1 31 31 LYS HG3 H 1 1.475 0.007 . . . . . . A 31 LYS HG3 . 30807 1 323 . 1 . 1 31 31 LYS C C 13 178.555 0.000 . . . . . . A 31 LYS C . 30807 1 324 . 1 . 1 31 31 LYS CA C 13 60.292 0.098 . . . . . . A 31 LYS CA . 30807 1 325 . 1 . 1 31 31 LYS CB C 13 32.228 0.005 . . . . . . A 31 LYS CB . 30807 1 326 . 1 . 1 31 31 LYS CG C 13 25.708 0.011 . . . . . . A 31 LYS CG . 30807 1 327 . 1 . 1 31 31 LYS CD C 13 29.444 0.000 . . . . . . A 31 LYS CD . 30807 1 328 . 1 . 1 31 31 LYS CE C 13 42.275 0.000 . . . . . . A 31 LYS CE . 30807 1 329 . 1 . 1 31 31 LYS N N 15 117.892 0.014 . . . . . . A 31 LYS N . 30807 1 330 . 1 . 1 32 32 SER H H 1 7.896 0.005 . . . . . . A 32 SER H . 30807 1 331 . 1 . 1 32 32 SER HA H 1 4.285 0.001 . . . . . . A 32 SER HA . 30807 1 332 . 1 . 1 32 32 SER HB2 H 1 3.944 0.003 . . . . . . A 32 SER HB2 . 30807 1 333 . 1 . 1 32 32 SER HB3 H 1 3.944 0.003 . . . . . . A 32 SER HB3 . 30807 1 334 . 1 . 1 32 32 SER C C 13 177.567 0.000 . . . . . . A 32 SER C . 30807 1 335 . 1 . 1 32 32 SER CA C 13 61.749 0.122 . . . . . . A 32 SER CA . 30807 1 336 . 1 . 1 32 32 SER CB C 13 63.241 0.120 . . . . . . A 32 SER CB . 30807 1 337 . 1 . 1 32 32 SER N N 15 115.197 0.015 . . . . . . A 32 SER N . 30807 1 338 . 1 . 1 33 33 ALA H H 1 8.961 0.003 . . . . . . A 33 ALA H . 30807 1 339 . 1 . 1 33 33 ALA HA H 1 3.906 0.006 . . . . . . A 33 ALA HA . 30807 1 340 . 1 . 1 33 33 ALA HB1 H 1 1.229 0.006 . . . . . . A 33 ALA HB1 . 30807 1 341 . 1 . 1 33 33 ALA HB2 H 1 1.229 0.006 . . . . . . A 33 ALA HB2 . 30807 1 342 . 1 . 1 33 33 ALA HB3 H 1 1.229 0.006 . . . . . . A 33 ALA HB3 . 30807 1 343 . 1 . 1 33 33 ALA C C 13 178.617 0.000 . . . . . . A 33 ALA C . 30807 1 344 . 1 . 1 33 33 ALA CA C 13 55.258 0.114 . . . . . . A 33 ALA CA . 30807 1 345 . 1 . 1 33 33 ALA CB C 13 19.522 0.099 . . . . . . A 33 ALA CB . 30807 1 346 . 1 . 1 33 33 ALA N N 15 123.503 0.023 . . . . . . A 33 ALA N . 30807 1 347 . 1 . 1 34 34 ALA H H 1 8.066 0.006 . . . . . . A 34 ALA H . 30807 1 348 . 1 . 1 34 34 ALA HA H 1 3.223 0.006 . . . . . . A 34 ALA HA . 30807 1 349 . 1 . 1 34 34 ALA HB1 H 1 1.186 0.013 . . . . . . A 34 ALA HB1 . 30807 1 350 . 1 . 1 34 34 ALA HB2 H 1 1.186 0.013 . . . . . . A 34 ALA HB2 . 30807 1 351 . 1 . 1 34 34 ALA HB3 H 1 1.186 0.013 . . . . . . A 34 ALA HB3 . 30807 1 352 . 1 . 1 34 34 ALA C C 13 178.608 0.000 . . . . . . A 34 ALA C . 30807 1 353 . 1 . 1 34 34 ALA CA C 13 55.297 0.093 . . . . . . A 34 ALA CA . 30807 1 354 . 1 . 1 34 34 ALA CB C 13 18.145 0.095 . . . . . . A 34 ALA CB . 30807 1 355 . 1 . 1 34 34 ALA N N 15 119.345 0.016 . . . . . . A 34 ALA N . 30807 1 356 . 1 . 1 35 35 GLN H H 1 7.410 0.004 . . . . . . A 35 GLN H . 30807 1 357 . 1 . 1 35 35 GLN HA H 1 3.913 0.010 . . . . . . A 35 GLN HA . 30807 1 358 . 1 . 1 35 35 GLN HB2 H 1 2.252 0.009 . . . . . . A 35 GLN HB2 . 30807 1 359 . 1 . 1 35 35 GLN HB3 H 1 2.123 0.005 . . . . . . A 35 GLN HB3 . 30807 1 360 . 1 . 1 35 35 GLN HG2 H 1 2.498 0.008 . . . . . . A 35 GLN HG2 . 30807 1 361 . 1 . 1 35 35 GLN HG3 H 1 2.545 0.005 . . . . . . A 35 GLN HG3 . 30807 1 362 . 1 . 1 35 35 GLN C C 13 178.526 0.000 . . . . . . A 35 GLN C . 30807 1 363 . 1 . 1 35 35 GLN CA C 13 58.769 0.101 . . . . . . A 35 GLN CA . 30807 1 364 . 1 . 1 35 35 GLN CB C 13 28.785 0.015 . . . . . . A 35 GLN CB . 30807 1 365 . 1 . 1 35 35 GLN CG C 13 34.461 0.015 . . . . . . A 35 GLN CG . 30807 1 366 . 1 . 1 35 35 GLN N N 15 115.474 0.014 . . . . . . A 35 GLN N . 30807 1 367 . 1 . 1 36 36 GLN H H 1 7.541 0.004 . . . . . . A 36 GLN H . 30807 1 368 . 1 . 1 36 36 GLN HA H 1 3.897 0.006 . . . . . . A 36 GLN HA . 30807 1 369 . 1 . 1 36 36 GLN HB2 H 1 1.935 0.008 . . . . . . A 36 GLN HB2 . 30807 1 370 . 1 . 1 36 36 GLN HB3 H 1 1.766 0.004 . . . . . . A 36 GLN HB3 . 30807 1 371 . 1 . 1 36 36 GLN HG2 H 1 2.102 0.006 . . . . . . A 36 GLN HG2 . 30807 1 372 . 1 . 1 36 36 GLN HG3 H 1 1.856 0.005 . . . . . . A 36 GLN HG3 . 30807 1 373 . 1 . 1 36 36 GLN C C 13 177.964 0.000 . . . . . . A 36 GLN C . 30807 1 374 . 1 . 1 36 36 GLN CA C 13 58.665 0.106 . . . . . . A 36 GLN CA . 30807 1 375 . 1 . 1 36 36 GLN CB C 13 28.341 0.015 . . . . . . A 36 GLN CB . 30807 1 376 . 1 . 1 36 36 GLN CG C 13 33.575 0.035 . . . . . . A 36 GLN CG . 30807 1 377 . 1 . 1 36 36 GLN N N 15 118.487 0.015 . . . . . . A 36 GLN N . 30807 1 378 . 1 . 1 37 37 ILE H H 1 8.230 0.003 . . . . . . A 37 ILE H . 30807 1 379 . 1 . 1 37 37 ILE HA H 1 3.580 0.006 . . . . . . A 37 ILE HA . 30807 1 380 . 1 . 1 37 37 ILE HB H 1 1.272 0.008 . . . . . . A 37 ILE HB . 30807 1 381 . 1 . 1 37 37 ILE HG12 H 1 1.852 0.001 . . . . . . A 37 ILE HG12 . 30807 1 382 . 1 . 1 37 37 ILE HG13 H 1 0.940 0.001 . . . . . . A 37 ILE HG13 . 30807 1 383 . 1 . 1 37 37 ILE HG21 H 1 0.748 0.006 . . . . . . A 37 ILE HG21 . 30807 1 384 . 1 . 1 37 37 ILE HG22 H 1 0.748 0.006 . . . . . . A 37 ILE HG22 . 30807 1 385 . 1 . 1 37 37 ILE HG23 H 1 0.748 0.006 . . . . . . A 37 ILE HG23 . 30807 1 386 . 1 . 1 37 37 ILE HD11 H 1 0.085 0.002 . . . . . . A 37 ILE HD11 . 30807 1 387 . 1 . 1 37 37 ILE HD12 H 1 0.085 0.002 . . . . . . A 37 ILE HD12 . 30807 1 388 . 1 . 1 37 37 ILE HD13 H 1 0.085 0.002 . . . . . . A 37 ILE HD13 . 30807 1 389 . 1 . 1 37 37 ILE C C 13 177.333 0.000 . . . . . . A 37 ILE C . 30807 1 390 . 1 . 1 37 37 ILE CA C 13 64.747 0.076 . . . . . . A 37 ILE CA . 30807 1 391 . 1 . 1 37 37 ILE CB C 13 39.658 0.018 . . . . . . A 37 ILE CB . 30807 1 392 . 1 . 1 37 37 ILE CG1 C 13 29.053 0.015 . . . . . . A 37 ILE CG1 . 30807 1 393 . 1 . 1 37 37 ILE CG2 C 13 16.689 0.086 . . . . . . A 37 ILE CG2 . 30807 1 394 . 1 . 1 37 37 ILE CD1 C 13 12.996 0.069 . . . . . . A 37 ILE CD1 . 30807 1 395 . 1 . 1 37 37 ILE N N 15 118.544 0.035 . . . . . . A 37 ILE N . 30807 1 396 . 1 . 1 38 38 LEU H H 1 8.390 0.004 . . . . . . A 38 LEU H . 30807 1 397 . 1 . 1 38 38 LEU HA H 1 4.277 0.008 . . . . . . A 38 LEU HA . 30807 1 398 . 1 . 1 38 38 LEU HB2 H 1 1.540 0.007 . . . . . . A 38 LEU HB2 . 30807 1 399 . 1 . 1 38 38 LEU HB3 H 1 1.264 0.004 . . . . . . A 38 LEU HB3 . 30807 1 400 . 1 . 1 38 38 LEU HG H 1 1.342 0.019 . . . . . . A 38 LEU HG . 30807 1 401 . 1 . 1 38 38 LEU HD11 H 1 0.164 0.003 . . . . . . A 38 LEU HD11 . 30807 1 402 . 1 . 1 38 38 LEU HD12 H 1 0.164 0.003 . . . . . . A 38 LEU HD12 . 30807 1 403 . 1 . 1 38 38 LEU HD13 H 1 0.164 0.003 . . . . . . A 38 LEU HD13 . 30807 1 404 . 1 . 1 38 38 LEU C C 13 178.353 0.000 . . . . . . A 38 LEU C . 30807 1 405 . 1 . 1 38 38 LEU CA C 13 55.283 0.094 . . . . . . A 38 LEU CA . 30807 1 406 . 1 . 1 38 38 LEU CB C 13 42.316 0.025 . . . . . . A 38 LEU CB . 30807 1 407 . 1 . 1 38 38 LEU CG C 13 26.878 0.017 . . . . . . A 38 LEU CG . 30807 1 408 . 1 . 1 38 38 LEU CD1 C 13 25.395 0.017 . . . . . . A 38 LEU CD1 . 30807 1 409 . 1 . 1 38 38 LEU N N 15 116.711 0.013 . . . . . . A 38 LEU N . 30807 1 410 . 1 . 1 39 39 GLY H H 1 7.466 0.003 . . . . . . A 39 GLY H . 30807 1 411 . 1 . 1 39 39 GLY HA2 H 1 3.834 0.004 . . . . . . A 39 GLY HA2 . 30807 1 412 . 1 . 1 39 39 GLY HA3 H 1 4.349 0.014 . . . . . . A 39 GLY HA3 . 30807 1 413 . 1 . 1 39 39 GLY C C 13 175.103 0.000 . . . . . . A 39 GLY C . 30807 1 414 . 1 . 1 39 39 GLY CA C 13 45.344 0.006 . . . . . . A 39 GLY CA . 30807 1 415 . 1 . 1 39 39 GLY N N 15 109.074 0.022 . . . . . . A 39 GLY N . 30807 1 416 . 1 . 1 40 40 GLU H H 1 8.628 0.003 . . . . . . A 40 GLU H . 30807 1 417 . 1 . 1 40 40 GLU HA H 1 4.048 0.004 . . . . . . A 40 GLU HA . 30807 1 418 . 1 . 1 40 40 GLU HB2 H 1 2.032 0.003 . . . . . . A 40 GLU HB2 . 30807 1 419 . 1 . 1 40 40 GLU HB3 H 1 2.075 0.012 . . . . . . A 40 GLU HB3 . 30807 1 420 . 1 . 1 40 40 GLU HG2 H 1 2.306 0.001 . . . . . . A 40 GLU HG2 . 30807 1 421 . 1 . 1 40 40 GLU HG3 H 1 2.306 0.001 . . . . . . A 40 GLU HG3 . 30807 1 422 . 1 . 1 40 40 GLU C C 13 177.016 0.000 . . . . . . A 40 GLU C . 30807 1 423 . 1 . 1 40 40 GLU CA C 13 58.749 0.110 . . . . . . A 40 GLU CA . 30807 1 424 . 1 . 1 40 40 GLU CB C 13 29.756 0.010 . . . . . . A 40 GLU CB . 30807 1 425 . 1 . 1 40 40 GLU CG C 13 36.331 0.019 . . . . . . A 40 GLU CG . 30807 1 426 . 1 . 1 40 40 GLU N N 15 120.114 0.021 . . . . . . A 40 GLU N . 30807 1 427 . 1 . 1 41 41 GLU H H 1 8.406 0.003 . . . . . . A 41 GLU H . 30807 1 428 . 1 . 1 41 41 GLU HA H 1 4.229 0.005 . . . . . . A 41 GLU HA . 30807 1 429 . 1 . 1 41 41 GLU HB2 H 1 2.143 0.004 . . . . . . A 41 GLU HB2 . 30807 1 430 . 1 . 1 41 41 GLU HB3 H 1 1.984 0.004 . . . . . . A 41 GLU HB3 . 30807 1 431 . 1 . 1 41 41 GLU HG2 H 1 2.284 0.003 . . . . . . A 41 GLU HG2 . 30807 1 432 . 1 . 1 41 41 GLU HG3 H 1 2.284 0.003 . . . . . . A 41 GLU HG3 . 30807 1 433 . 1 . 1 41 41 GLU C C 13 176.731 0.000 . . . . . . A 41 GLU C . 30807 1 434 . 1 . 1 41 41 GLU CA C 13 57.051 0.088 . . . . . . A 41 GLU CA . 30807 1 435 . 1 . 1 41 41 GLU CB C 13 29.395 0.006 . . . . . . A 41 GLU CB . 30807 1 436 . 1 . 1 41 41 GLU CG C 13 36.812 0.016 . . . . . . A 41 GLU CG . 30807 1 437 . 1 . 1 41 41 GLU N N 15 116.236 0.021 . . . . . . A 41 GLU N . 30807 1 438 . 1 . 1 42 42 PHE H H 1 7.807 0.004 . . . . . . A 42 PHE H . 30807 1 439 . 1 . 1 42 42 PHE HA H 1 4.406 0.010 . . . . . . A 42 PHE HA . 30807 1 440 . 1 . 1 42 42 PHE HB2 H 1 3.019 0.004 . . . . . . A 42 PHE HB2 . 30807 1 441 . 1 . 1 42 42 PHE HB3 H 1 3.019 0.004 . . . . . . A 42 PHE HB3 . 30807 1 442 . 1 . 1 42 42 PHE HD1 H 1 7.126 0.012 . . . . . . A 42 PHE HD1 . 30807 1 443 . 1 . 1 42 42 PHE HD2 H 1 7.126 0.012 . . . . . . A 42 PHE HD2 . 30807 1 444 . 1 . 1 42 42 PHE HE1 H 1 7.084 0.000 . . . . . . A 42 PHE HE1 . 30807 1 445 . 1 . 1 42 42 PHE HE2 H 1 7.084 0.000 . . . . . . A 42 PHE HE2 . 30807 1 446 . 1 . 1 42 42 PHE C C 13 174.887 0.000 . . . . . . A 42 PHE C . 30807 1 447 . 1 . 1 42 42 PHE CA C 13 59.057 0.094 . . . . . . A 42 PHE CA . 30807 1 448 . 1 . 1 42 42 PHE CB C 13 39.062 0.015 . . . . . . A 42 PHE CB . 30807 1 449 . 1 . 1 42 42 PHE N N 15 120.141 0.015 . . . . . . A 42 PHE N . 30807 1 450 . 1 . 1 43 43 GLU H H 1 8.149 0.003 . . . . . . A 43 GLU H . 30807 1 451 . 1 . 1 43 43 GLU HA H 1 4.300 0.004 . . . . . . A 43 GLU HA . 30807 1 452 . 1 . 1 43 43 GLU HB2 H 1 1.721 0.003 . . . . . . A 43 GLU HB2 . 30807 1 453 . 1 . 1 43 43 GLU HB3 H 1 1.721 0.003 . . . . . . A 43 GLU HB3 . 30807 1 454 . 1 . 1 43 43 GLU HG2 H 1 2.129 0.002 . . . . . . A 43 GLU HG2 . 30807 1 455 . 1 . 1 43 43 GLU HG3 H 1 2.129 0.002 . . . . . . A 43 GLU HG3 . 30807 1 456 . 1 . 1 43 43 GLU C C 13 175.268 0.000 . . . . . . A 43 GLU C . 30807 1 457 . 1 . 1 43 43 GLU CA C 13 54.954 0.096 . . . . . . A 43 GLU CA . 30807 1 458 . 1 . 1 43 43 GLU CB C 13 30.742 0.020 . . . . . . A 43 GLU CB . 30807 1 459 . 1 . 1 43 43 GLU CG C 13 36.096 0.001 . . . . . . A 43 GLU CG . 30807 1 460 . 1 . 1 43 43 GLU N N 15 128.472 0.012 . . . . . . A 43 GLU N . 30807 1 461 . 1 . 1 44 44 GLY H H 1 5.337 0.003 . . . . . . A 44 GLY H . 30807 1 462 . 1 . 1 44 44 GLY C C 13 174.192 0.000 . . . . . . A 44 GLY C . 30807 1 463 . 1 . 1 44 44 GLY CA C 13 45.346 0.000 . . . . . . A 44 GLY CA . 30807 1 464 . 1 . 1 44 44 GLY N N 15 106.170 0.023 . . . . . . A 44 GLY N . 30807 1 465 . 1 . 1 45 45 LEU H H 1 8.282 0.002 . . . . . . A 45 LEU H . 30807 1 466 . 1 . 1 45 45 LEU HA H 1 4.715 0.012 . . . . . . A 45 LEU HA . 30807 1 467 . 1 . 1 45 45 LEU HB2 H 1 1.276 0.002 . . . . . . A 45 LEU HB2 . 30807 1 468 . 1 . 1 45 45 LEU HB3 H 1 1.276 0.002 . . . . . . A 45 LEU HB3 . 30807 1 469 . 1 . 1 45 45 LEU HG H 1 1.353 0.001 . . . . . . A 45 LEU HG . 30807 1 470 . 1 . 1 45 45 LEU HD11 H 1 0.791 0.000 . . . . . . A 45 LEU HD11 . 30807 1 471 . 1 . 1 45 45 LEU HD12 H 1 0.791 0.000 . . . . . . A 45 LEU HD12 . 30807 1 472 . 1 . 1 45 45 LEU HD13 H 1 0.791 0.000 . . . . . . A 45 LEU HD13 . 30807 1 473 . 1 . 1 45 45 LEU C C 13 175.829 0.000 . . . . . . A 45 LEU C . 30807 1 474 . 1 . 1 45 45 LEU CA C 13 53.654 0.000 . . . . . . A 45 LEU CA . 30807 1 475 . 1 . 1 45 45 LEU CB C 13 44.690 0.017 . . . . . . A 45 LEU CB . 30807 1 476 . 1 . 1 45 45 LEU CG C 13 27.159 0.015 . . . . . . A 45 LEU CG . 30807 1 477 . 1 . 1 45 45 LEU CD1 C 13 25.294 0.000 . . . . . . A 45 LEU CD1 . 30807 1 478 . 1 . 1 45 45 LEU CD2 C 13 23.539 0.004 . . . . . . A 45 LEU CD2 . 30807 1 479 . 1 . 1 45 45 LEU N N 15 120.602 0.022 . . . . . . A 45 LEU N . 30807 1 480 . 1 . 1 46 46 VAL H H 1 8.298 0.003 . . . . . . A 46 VAL H . 30807 1 481 . 1 . 1 46 46 VAL HA H 1 5.116 0.019 . . . . . . A 46 VAL HA . 30807 1 482 . 1 . 1 46 46 VAL HB H 1 2.029 0.008 . . . . . . A 46 VAL HB . 30807 1 483 . 1 . 1 46 46 VAL HG11 H 1 0.981 0.002 . . . . . . A 46 VAL HG11 . 30807 1 484 . 1 . 1 46 46 VAL HG12 H 1 0.981 0.002 . . . . . . A 46 VAL HG12 . 30807 1 485 . 1 . 1 46 46 VAL HG13 H 1 0.981 0.002 . . . . . . A 46 VAL HG13 . 30807 1 486 . 1 . 1 46 46 VAL C C 13 174.473 0.000 . . . . . . A 46 VAL C . 30807 1 487 . 1 . 1 46 46 VAL CA C 13 60.888 0.103 . . . . . . A 46 VAL CA . 30807 1 488 . 1 . 1 46 46 VAL CB C 13 35.246 0.010 . . . . . . A 46 VAL CB . 30807 1 489 . 1 . 1 46 46 VAL CG1 C 13 22.750 0.021 . . . . . . A 46 VAL CG1 . 30807 1 490 . 1 . 1 46 46 VAL CG2 C 13 21.263 0.000 . . . . . . A 46 VAL CG2 . 30807 1 491 . 1 . 1 46 46 VAL N N 15 117.675 0.021 . . . . . . A 46 VAL N . 30807 1 492 . 1 . 1 47 47 TYR H H 1 8.933 0.007 . . . . . . A 47 TYR H . 30807 1 493 . 1 . 1 47 47 TYR HA H 1 5.152 0.008 . . . . . . A 47 TYR HA . 30807 1 494 . 1 . 1 47 47 TYR HB2 H 1 3.019 0.006 . . . . . . A 47 TYR HB2 . 30807 1 495 . 1 . 1 47 47 TYR HB3 H 1 2.923 0.009 . . . . . . A 47 TYR HB3 . 30807 1 496 . 1 . 1 47 47 TYR HD1 H 1 6.857 0.001 . . . . . . A 47 TYR HD1 . 30807 1 497 . 1 . 1 47 47 TYR HD2 H 1 6.857 0.001 . . . . . . A 47 TYR HD2 . 30807 1 498 . 1 . 1 47 47 TYR HE1 H 1 6.656 0.001 . . . . . . A 47 TYR HE1 . 30807 1 499 . 1 . 1 47 47 TYR HE2 H 1 6.656 0.001 . . . . . . A 47 TYR HE2 . 30807 1 500 . 1 . 1 47 47 TYR C C 13 174.215 0.000 . . . . . . A 47 TYR C . 30807 1 501 . 1 . 1 47 47 TYR CA C 13 55.569 0.099 . . . . . . A 47 TYR CA . 30807 1 502 . 1 . 1 47 47 TYR CB C 13 41.514 0.014 . . . . . . A 47 TYR CB . 30807 1 503 . 1 . 1 47 47 TYR N N 15 123.401 0.029 . . . . . . A 47 TYR N . 30807 1 504 . 1 . 1 48 48 ARG H H 1 8.654 0.004 . . . . . . A 48 ARG H . 30807 1 505 . 1 . 1 48 48 ARG HB2 H 1 1.375 0.001 . . . . . . A 48 ARG HB2 . 30807 1 506 . 1 . 1 48 48 ARG HB3 H 1 1.433 0.000 . . . . . . A 48 ARG HB3 . 30807 1 507 . 1 . 1 48 48 ARG HG2 H 1 0.857 0.000 . . . . . . A 48 ARG HG2 . 30807 1 508 . 1 . 1 48 48 ARG HG3 H 1 0.719 0.000 . . . . . . A 48 ARG HG3 . 30807 1 509 . 1 . 1 48 48 ARG HD2 H 1 3.338 0.005 . . . . . . A 48 ARG HD2 . 30807 1 510 . 1 . 1 48 48 ARG HD3 H 1 3.338 0.005 . . . . . . A 48 ARG HD3 . 30807 1 511 . 1 . 1 48 48 ARG C C 13 176.077 0.000 . . . . . . A 48 ARG C . 30807 1 512 . 1 . 1 48 48 ARG CA C 13 56.496 0.000 . . . . . . A 48 ARG CA . 30807 1 513 . 1 . 1 48 48 ARG CB C 13 31.253 0.018 . . . . . . A 48 ARG CB . 30807 1 514 . 1 . 1 48 48 ARG CG C 13 28.466 0.004 . . . . . . A 48 ARG CG . 30807 1 515 . 1 . 1 48 48 ARG CD C 13 43.321 0.000 . . . . . . A 48 ARG CD . 30807 1 516 . 1 . 1 48 48 ARG N N 15 122.916 0.035 . . . . . . A 48 ARG N . 30807 1 517 . 1 . 1 49 49 GLU H H 1 9.126 0.003 . . . . . . A 49 GLU H . 30807 1 518 . 1 . 1 49 49 GLU HA H 1 4.440 0.006 . . . . . . A 49 GLU HA . 30807 1 519 . 1 . 1 49 49 GLU HB2 H 1 1.933 0.002 . . . . . . A 49 GLU HB2 . 30807 1 520 . 1 . 1 49 49 GLU HB3 H 1 1.566 0.006 . . . . . . A 49 GLU HB3 . 30807 1 521 . 1 . 1 49 49 GLU HG2 H 1 2.093 0.005 . . . . . . A 49 GLU HG2 . 30807 1 522 . 1 . 1 49 49 GLU HG3 H 1 2.093 0.005 . . . . . . A 49 GLU HG3 . 30807 1 523 . 1 . 1 49 49 GLU C C 13 176.631 0.000 . . . . . . A 49 GLU C . 30807 1 524 . 1 . 1 49 49 GLU CA C 13 57.170 0.096 . . . . . . A 49 GLU CA . 30807 1 525 . 1 . 1 49 49 GLU CB C 13 31.752 0.004 . . . . . . A 49 GLU CB . 30807 1 526 . 1 . 1 49 49 GLU CG C 13 36.172 0.016 . . . . . . A 49 GLU CG . 30807 1 527 . 1 . 1 49 49 GLU N N 15 127.442 0.021 . . . . . . A 49 GLU N . 30807 1 528 . 1 . 1 50 50 THR H H 1 7.570 0.003 . . . . . . A 50 THR H . 30807 1 529 . 1 . 1 50 50 THR HA H 1 4.683 0.005 . . . . . . A 50 THR HA . 30807 1 530 . 1 . 1 50 50 THR HB H 1 4.300 0.004 . . . . . . A 50 THR HB . 30807 1 531 . 1 . 1 50 50 THR HG21 H 1 1.108 0.003 . . . . . . A 50 THR HG21 . 30807 1 532 . 1 . 1 50 50 THR HG22 H 1 1.108 0.003 . . . . . . A 50 THR HG22 . 30807 1 533 . 1 . 1 50 50 THR HG23 H 1 1.108 0.003 . . . . . . A 50 THR HG23 . 30807 1 534 . 1 . 1 50 50 THR C C 13 173.894 0.000 . . . . . . A 50 THR C . 30807 1 535 . 1 . 1 50 50 THR CA C 13 60.364 0.098 . . . . . . A 50 THR CA . 30807 1 536 . 1 . 1 50 50 THR CB C 13 72.338 0.105 . . . . . . A 50 THR CB . 30807 1 537 . 1 . 1 50 50 THR CG2 C 13 22.239 0.011 . . . . . . A 50 THR CG2 . 30807 1 538 . 1 . 1 50 50 THR N N 15 108.590 0.019 . . . . . . A 50 THR N . 30807 1 539 . 1 . 1 51 51 GLY H H 1 8.377 0.004 . . . . . . A 51 GLY H . 30807 1 540 . 1 . 1 51 51 GLY HA2 H 1 3.976 0.004 . . . . . . A 51 GLY HA2 . 30807 1 541 . 1 . 1 51 51 GLY HA3 H 1 4.431 0.012 . . . . . . A 51 GLY HA3 . 30807 1 542 . 1 . 1 51 51 GLY C C 13 174.034 0.000 . . . . . . A 51 GLY C . 30807 1 543 . 1 . 1 51 51 GLY CA C 13 44.681 0.001 . . . . . . A 51 GLY CA . 30807 1 544 . 1 . 1 51 51 GLY N N 15 107.292 0.045 . . . . . . A 51 GLY N . 30807 1 545 . 1 . 1 52 52 GLU H H 1 8.578 0.003 . . . . . . A 52 GLU H . 30807 1 546 . 1 . 1 52 52 GLU HA H 1 4.346 0.006 . . . . . . A 52 GLU HA . 30807 1 547 . 1 . 1 52 52 GLU HB2 H 1 1.869 0.002 . . . . . . A 52 GLU HB2 . 30807 1 548 . 1 . 1 52 52 GLU HB3 H 1 2.169 0.004 . . . . . . A 52 GLU HB3 . 30807 1 549 . 1 . 1 52 52 GLU HG2 H 1 2.298 0.002 . . . . . . A 52 GLU HG2 . 30807 1 550 . 1 . 1 52 52 GLU HG3 H 1 2.170 0.007 . . . . . . A 52 GLU HG3 . 30807 1 551 . 1 . 1 52 52 GLU C C 13 177.150 0.000 . . . . . . A 52 GLU C . 30807 1 552 . 1 . 1 52 52 GLU CA C 13 56.041 0.096 . . . . . . A 52 GLU CA . 30807 1 553 . 1 . 1 52 52 GLU CB C 13 30.970 0.001 . . . . . . A 52 GLU CB . 30807 1 554 . 1 . 1 52 52 GLU CG C 13 36.254 0.000 . . . . . . A 52 GLU CG . 30807 1 555 . 1 . 1 52 52 GLU N N 15 119.490 0.015 . . . . . . A 52 GLU N . 30807 1 556 . 1 . 1 53 53 SER H H 1 8.525 0.002 . . . . . . A 53 SER H . 30807 1 557 . 1 . 1 53 53 SER HA H 1 4.335 0.000 . . . . . . A 53 SER HA . 30807 1 558 . 1 . 1 53 53 SER N N 15 115.316 0.024 . . . . . . A 53 SER N . 30807 1 559 . 1 . 1 54 54 ASN HA H 1 4.797 0.006 . . . . . . A 54 ASN HA . 30807 1 560 . 1 . 1 54 54 ASN HB2 H 1 2.948 0.008 . . . . . . A 54 ASN HB2 . 30807 1 561 . 1 . 1 54 54 ASN HB3 H 1 2.991 0.000 . . . . . . A 54 ASN HB3 . 30807 1 562 . 1 . 1 54 54 ASN C C 13 175.425 0.000 . . . . . . A 54 ASN C . 30807 1 563 . 1 . 1 54 54 ASN CA C 13 53.631 0.120 . . . . . . A 54 ASN CA . 30807 1 564 . 1 . 1 54 54 ASN CB C 13 38.649 0.019 . . . . . . A 54 ASN CB . 30807 1 565 . 1 . 1 55 55 GLY H H 1 8.241 0.003 . . . . . . A 55 GLY H . 30807 1 566 . 1 . 1 55 55 GLY HA2 H 1 3.982 0.004 . . . . . . A 55 GLY HA2 . 30807 1 567 . 1 . 1 55 55 GLY HA3 H 1 4.521 0.008 . . . . . . A 55 GLY HA3 . 30807 1 568 . 1 . 1 55 55 GLY C C 13 173.876 0.000 . . . . . . A 55 GLY C . 30807 1 569 . 1 . 1 55 55 GLY CA C 13 44.721 0.001 . . . . . . A 55 GLY CA . 30807 1 570 . 1 . 1 55 55 GLY N N 15 107.856 0.011 . . . . . . A 55 GLY N . 30807 1 571 . 1 . 1 56 56 SER H H 1 8.229 0.003 . . . . . . A 56 SER H . 30807 1 572 . 1 . 1 56 56 SER HA H 1 4.865 0.005 . . . . . . A 56 SER HA . 30807 1 573 . 1 . 1 56 56 SER HB2 H 1 4.216 0.008 . . . . . . A 56 SER HB2 . 30807 1 574 . 1 . 1 56 56 SER HB3 H 1 4.032 0.006 . . . . . . A 56 SER HB3 . 30807 1 575 . 1 . 1 56 56 SER C C 13 174.672 0.000 . . . . . . A 56 SER C . 30807 1 576 . 1 . 1 56 56 SER CA C 13 58.525 0.101 . . . . . . A 56 SER CA . 30807 1 577 . 1 . 1 56 56 SER CB C 13 65.034 0.094 . . . . . . A 56 SER CB . 30807 1 578 . 1 . 1 56 56 SER N N 15 114.437 0.024 . . . . . . A 56 SER N . 30807 1 579 . 1 . 1 57 57 GLY H H 1 8.340 0.003 . . . . . . A 57 GLY H . 30807 1 580 . 1 . 1 57 57 GLY HA2 H 1 3.872 0.004 . . . . . . A 57 GLY HA2 . 30807 1 581 . 1 . 1 57 57 GLY HA3 H 1 4.090 0.006 . . . . . . A 57 GLY HA3 . 30807 1 582 . 1 . 1 57 57 GLY C C 13 170.630 0.000 . . . . . . A 57 GLY C . 30807 1 583 . 1 . 1 57 57 GLY CA C 13 45.870 0.000 . . . . . . A 57 GLY CA . 30807 1 584 . 1 . 1 57 57 GLY N N 15 106.726 0.024 . . . . . . A 57 GLY N . 30807 1 585 . 1 . 1 58 58 MET H H 1 7.900 0.003 . . . . . . A 58 MET H . 30807 1 586 . 1 . 1 58 58 MET HA H 1 5.406 0.011 . . . . . . A 58 MET HA . 30807 1 587 . 1 . 1 58 58 MET HB2 H 1 2.046 0.005 . . . . . . A 58 MET HB2 . 30807 1 588 . 1 . 1 58 58 MET HB3 H 1 1.715 0.001 . . . . . . A 58 MET HB3 . 30807 1 589 . 1 . 1 58 58 MET HG2 H 1 2.701 0.007 . . . . . . A 58 MET HG2 . 30807 1 590 . 1 . 1 58 58 MET HG3 H 1 2.522 0.004 . . . . . . A 58 MET HG3 . 30807 1 591 . 1 . 1 58 58 MET HE1 H 1 1.707 0.004 . . . . . . A 58 MET HE1 . 30807 1 592 . 1 . 1 58 58 MET HE2 H 1 1.707 0.004 . . . . . . A 58 MET HE2 . 30807 1 593 . 1 . 1 58 58 MET HE3 H 1 1.707 0.004 . . . . . . A 58 MET HE3 . 30807 1 594 . 1 . 1 58 58 MET C C 13 176.191 0.000 . . . . . . A 58 MET C . 30807 1 595 . 1 . 1 58 58 MET CA C 13 52.661 0.081 . . . . . . A 58 MET CA . 30807 1 596 . 1 . 1 58 58 MET CB C 13 32.366 0.026 . . . . . . A 58 MET CB . 30807 1 597 . 1 . 1 58 58 MET CG C 13 31.690 0.024 . . . . . . A 58 MET CG . 30807 1 598 . 1 . 1 58 58 MET N N 15 115.866 0.022 . . . . . . A 58 MET N . 30807 1 599 . 1 . 1 59 59 PHE H H 1 9.086 0.008 . . . . . . A 59 PHE H . 30807 1 600 . 1 . 1 59 59 PHE HA H 1 4.836 0.004 . . . . . . A 59 PHE HA . 30807 1 601 . 1 . 1 59 59 PHE HB2 H 1 2.135 0.004 . . . . . . A 59 PHE HB2 . 30807 1 602 . 1 . 1 59 59 PHE HB3 H 1 1.614 0.005 . . . . . . A 59 PHE HB3 . 30807 1 603 . 1 . 1 59 59 PHE HD1 H 1 6.803 0.000 . . . . . . A 59 PHE HD1 . 30807 1 604 . 1 . 1 59 59 PHE HD2 H 1 6.803 0.000 . . . . . . A 59 PHE HD2 . 30807 1 605 . 1 . 1 59 59 PHE HE1 H 1 6.967 0.003 . . . . . . A 59 PHE HE1 . 30807 1 606 . 1 . 1 59 59 PHE HE2 H 1 6.967 0.003 . . . . . . A 59 PHE HE2 . 30807 1 607 . 1 . 1 59 59 PHE C C 13 172.257 0.000 . . . . . . A 59 PHE C . 30807 1 608 . 1 . 1 59 59 PHE CA C 13 56.543 0.101 . . . . . . A 59 PHE CA . 30807 1 609 . 1 . 1 59 59 PHE CB C 13 43.805 0.013 . . . . . . A 59 PHE CB . 30807 1 610 . 1 . 1 59 59 PHE N N 15 121.760 0.016 . . . . . . A 59 PHE N . 30807 1 611 . 1 . 1 60 60 GLN H H 1 8.665 0.003 . . . . . . A 60 GLN H . 30807 1 612 . 1 . 1 60 60 GLN HA H 1 4.337 0.004 . . . . . . A 60 GLN HA . 30807 1 613 . 1 . 1 60 60 GLN HB2 H 1 1.751 0.009 . . . . . . A 60 GLN HB2 . 30807 1 614 . 1 . 1 60 60 GLN HB3 H 1 1.751 0.009 . . . . . . A 60 GLN HB3 . 30807 1 615 . 1 . 1 60 60 GLN HG2 H 1 1.777 0.000 . . . . . . A 60 GLN HG2 . 30807 1 616 . 1 . 1 60 60 GLN HG3 H 1 1.777 0.000 . . . . . . A 60 GLN HG3 . 30807 1 617 . 1 . 1 60 60 GLN C C 13 173.778 0.000 . . . . . . A 60 GLN C . 30807 1 618 . 1 . 1 60 60 GLN CA C 13 53.949 0.118 . . . . . . A 60 GLN CA . 30807 1 619 . 1 . 1 60 60 GLN CB C 13 33.727 0.012 . . . . . . A 60 GLN CB . 30807 1 620 . 1 . 1 60 60 GLN CG C 13 34.293 0.022 . . . . . . A 60 GLN CG . 30807 1 621 . 1 . 1 60 60 GLN N N 15 118.380 0.010 . . . . . . A 60 GLN N . 30807 1 622 . 1 . 1 61 61 ALA H H 1 9.228 0.005 . . . . . . A 61 ALA H . 30807 1 623 . 1 . 1 61 61 ALA HA H 1 5.481 0.013 . . . . . . A 61 ALA HA . 30807 1 624 . 1 . 1 61 61 ALA HB1 H 1 1.375 0.004 . . . . . . A 61 ALA HB1 . 30807 1 625 . 1 . 1 61 61 ALA HB2 H 1 1.375 0.004 . . . . . . A 61 ALA HB2 . 30807 1 626 . 1 . 1 61 61 ALA HB3 H 1 1.375 0.004 . . . . . . A 61 ALA HB3 . 30807 1 627 . 1 . 1 61 61 ALA C C 13 177.945 0.000 . . . . . . A 61 ALA C . 30807 1 628 . 1 . 1 61 61 ALA CA C 13 51.901 0.115 . . . . . . A 61 ALA CA . 30807 1 629 . 1 . 1 61 61 ALA CB C 13 20.904 0.003 . . . . . . A 61 ALA CB . 30807 1 630 . 1 . 1 61 61 ALA N N 15 130.019 0.033 . . . . . . A 61 ALA N . 30807 1 631 . 1 . 1 62 62 TYR H H 1 9.040 0.005 . . . . . . A 62 TYR H . 30807 1 632 . 1 . 1 62 62 TYR HA H 1 5.192 0.009 . . . . . . A 62 TYR HA . 30807 1 633 . 1 . 1 62 62 TYR HB2 H 1 2.943 0.013 . . . . . . A 62 TYR HB2 . 30807 1 634 . 1 . 1 62 62 TYR HB3 H 1 2.686 0.015 . . . . . . A 62 TYR HB3 . 30807 1 635 . 1 . 1 62 62 TYR HD1 H 1 6.918 0.016 . . . . . . A 62 TYR HD1 . 30807 1 636 . 1 . 1 62 62 TYR HD2 H 1 6.918 0.016 . . . . . . A 62 TYR HD2 . 30807 1 637 . 1 . 1 62 62 TYR HE1 H 1 6.855 0.000 . . . . . . A 62 TYR HE1 . 30807 1 638 . 1 . 1 62 62 TYR HE2 H 1 6.855 0.000 . . . . . . A 62 TYR HE2 . 30807 1 639 . 1 . 1 62 62 TYR C C 13 174.212 0.000 . . . . . . A 62 TYR C . 30807 1 640 . 1 . 1 62 62 TYR CA C 13 57.550 0.115 . . . . . . A 62 TYR CA . 30807 1 641 . 1 . 1 62 62 TYR CB C 13 42.570 0.028 . . . . . . A 62 TYR CB . 30807 1 642 . 1 . 1 62 62 TYR N N 15 119.487 0.017 . . . . . . A 62 TYR N . 30807 1 643 . 1 . 1 63 63 HIS H H 1 9.012 0.005 . . . . . . A 63 HIS H . 30807 1 644 . 1 . 1 63 63 HIS HA H 1 4.881 0.003 . . . . . . A 63 HIS HA . 30807 1 645 . 1 . 1 63 63 HIS HB2 H 1 3.099 0.011 . . . . . . A 63 HIS HB2 . 30807 1 646 . 1 . 1 63 63 HIS HB3 H 1 3.143 0.001 . . . . . . A 63 HIS HB3 . 30807 1 647 . 1 . 1 63 63 HIS HD1 H 1 6.996 0.003 . . . . . . A 63 HIS HD1 . 30807 1 648 . 1 . 1 63 63 HIS C C 13 174.696 0.000 . . . . . . A 63 HIS C . 30807 1 649 . 1 . 1 63 63 HIS CA C 13 55.040 0.094 . . . . . . A 63 HIS CA . 30807 1 650 . 1 . 1 63 63 HIS CB C 13 32.148 0.014 . . . . . . A 63 HIS CB . 30807 1 651 . 1 . 1 63 63 HIS N N 15 117.853 0.039 . . . . . . A 63 HIS N . 30807 1 652 . 1 . 1 64 64 HIS H H 1 8.691 0.005 . . . . . . A 64 HIS H . 30807 1 653 . 1 . 1 64 64 HIS HA H 1 4.738 0.005 . . . . . . A 64 HIS HA . 30807 1 654 . 1 . 1 64 64 HIS HB2 H 1 3.001 0.006 . . . . . . A 64 HIS HB2 . 30807 1 655 . 1 . 1 64 64 HIS HB3 H 1 2.929 0.006 . . . . . . A 64 HIS HB3 . 30807 1 656 . 1 . 1 64 64 HIS HD1 H 1 6.942 0.009 . . . . . . A 64 HIS HD1 . 30807 1 657 . 1 . 1 64 64 HIS C C 13 174.713 0.000 . . . . . . A 64 HIS C . 30807 1 658 . 1 . 1 64 64 HIS CA C 13 56.393 0.098 . . . . . . A 64 HIS CA . 30807 1 659 . 1 . 1 64 64 HIS CB C 13 30.943 0.035 . . . . . . A 64 HIS CB . 30807 1 660 . 1 . 1 64 64 HIS N N 15 121.226 0.040 . . . . . . A 64 HIS N . 30807 1 661 . 1 . 1 65 65 LEU H H 1 8.485 0.003 . . . . . . A 65 LEU H . 30807 1 662 . 1 . 1 65 65 LEU HA H 1 4.257 0.000 . . . . . . A 65 LEU HA . 30807 1 663 . 1 . 1 65 65 LEU HB2 H 1 1.388 0.000 . . . . . . A 65 LEU HB2 . 30807 1 664 . 1 . 1 65 65 LEU HB3 H 1 1.388 0.000 . . . . . . A 65 LEU HB3 . 30807 1 665 . 1 . 1 65 65 LEU HD11 H 1 0.832 0.000 . . . . . . A 65 LEU HD11 . 30807 1 666 . 1 . 1 65 65 LEU HD12 H 1 0.832 0.000 . . . . . . A 65 LEU HD12 . 30807 1 667 . 1 . 1 65 65 LEU HD13 H 1 0.832 0.000 . . . . . . A 65 LEU HD13 . 30807 1 668 . 1 . 1 65 65 LEU C C 13 176.463 0.000 . . . . . . A 65 LEU C . 30807 1 669 . 1 . 1 65 65 LEU CA C 13 54.590 0.000 . . . . . . A 65 LEU CA . 30807 1 670 . 1 . 1 65 65 LEU CB C 13 42.603 0.000 . . . . . . A 65 LEU CB . 30807 1 671 . 1 . 1 65 65 LEU CG C 13 26.873 0.000 . . . . . . A 65 LEU CG . 30807 1 672 . 1 . 1 65 65 LEU CD1 C 13 24.825 0.000 . . . . . . A 65 LEU CD1 . 30807 1 673 . 1 . 1 65 65 LEU N N 15 125.746 0.029 . . . . . . A 65 LEU N . 30807 1 674 . 1 . 1 66 66 HIS H H 1 8.467 0.007 . . . . . . A 66 HIS H . 30807 1 675 . 1 . 1 66 66 HIS HA H 1 4.243 0.000 . . . . . . A 66 HIS HA . 30807 1 676 . 1 . 1 66 66 HIS HB2 H 1 2.183 0.000 . . . . . . A 66 HIS HB2 . 30807 1 677 . 1 . 1 66 66 HIS HB3 H 1 1.905 0.000 . . . . . . A 66 HIS HB3 . 30807 1 678 . 1 . 1 66 66 HIS C C 13 176.490 0.000 . . . . . . A 66 HIS C . 30807 1 679 . 1 . 1 66 66 HIS CA C 13 56.715 0.000 . . . . . . A 66 HIS CA . 30807 1 680 . 1 . 1 66 66 HIS CB C 13 30.365 0.000 . . . . . . A 66 HIS CB . 30807 1 681 . 1 . 1 66 66 HIS N N 15 121.401 0.031 . . . . . . A 66 HIS N . 30807 1 682 . 1 . 1 67 67 GLY H H 1 8.005 0.003 . . . . . . A 67 GLY H . 30807 1 683 . 1 . 1 67 67 GLY HA2 H 1 3.773 0.002 . . . . . . A 67 GLY HA2 . 30807 1 684 . 1 . 1 67 67 GLY HA3 H 1 4.074 0.002 . . . . . . A 67 GLY HA3 . 30807 1 685 . 1 . 1 67 67 GLY C C 13 174.482 0.000 . . . . . . A 67 GLY C . 30807 1 686 . 1 . 1 67 67 GLY CA C 13 45.410 0.000 . . . . . . A 67 GLY CA . 30807 1 687 . 1 . 1 67 67 GLY N N 15 110.054 0.024 . . . . . . A 67 GLY N . 30807 1 688 . 1 . 1 68 68 THR H H 1 8.123 0.001 . . . . . . A 68 THR H . 30807 1 689 . 1 . 1 68 68 THR HA H 1 4.357 0.011 . . . . . . A 68 THR HA . 30807 1 690 . 1 . 1 68 68 THR HB H 1 4.175 0.012 . . . . . . A 68 THR HB . 30807 1 691 . 1 . 1 68 68 THR HG21 H 1 1.169 0.009 . . . . . . A 68 THR HG21 . 30807 1 692 . 1 . 1 68 68 THR HG22 H 1 1.169 0.009 . . . . . . A 68 THR HG22 . 30807 1 693 . 1 . 1 68 68 THR HG23 H 1 1.169 0.009 . . . . . . A 68 THR HG23 . 30807 1 694 . 1 . 1 68 68 THR C C 13 173.883 0.000 . . . . . . A 68 THR C . 30807 1 695 . 1 . 1 68 68 THR CA C 13 61.551 0.120 . . . . . . A 68 THR CA . 30807 1 696 . 1 . 1 68 68 THR CB C 13 70.337 0.111 . . . . . . A 68 THR CB . 30807 1 697 . 1 . 1 68 68 THR CG2 C 13 21.573 0.020 . . . . . . A 68 THR CG2 . 30807 1 698 . 1 . 1 68 68 THR N N 15 113.477 0.007 . . . . . . A 68 THR N . 30807 1 699 . 1 . 1 69 69 ASN H H 1 8.199 0.002 . . . . . . A 69 ASN H . 30807 1 700 . 1 . 1 69 69 ASN HA H 1 4.397 0.000 . . . . . . A 69 ASN HA . 30807 1 701 . 1 . 1 69 69 ASN HB2 H 1 2.266 0.000 . . . . . . A 69 ASN HB2 . 30807 1 702 . 1 . 1 69 69 ASN HB3 H 1 1.960 0.000 . . . . . . A 69 ASN HB3 . 30807 1 703 . 1 . 1 69 69 ASN C C 13 177.380 0.000 . . . . . . A 69 ASN C . 30807 1 704 . 1 . 1 69 69 ASN CA C 13 63.684 0.000 . . . . . . A 69 ASN CA . 30807 1 705 . 1 . 1 69 69 ASN CB C 13 32.236 0.000 . . . . . . A 69 ASN CB . 30807 1 706 . 1 . 1 69 69 ASN N N 15 121.758 0.030 . . . . . . A 69 ASN N . 30807 1 707 . 1 . 1 70 70 ARG H H 1 8.312 0.005 . . . . . . A 70 ARG H . 30807 1 708 . 1 . 1 70 70 ARG HA H 1 4.278 0.008 . . . . . . A 70 ARG HA . 30807 1 709 . 1 . 1 70 70 ARG HB2 H 1 1.721 0.011 . . . . . . A 70 ARG HB2 . 30807 1 710 . 1 . 1 70 70 ARG HB3 H 1 1.721 0.011 . . . . . . A 70 ARG HB3 . 30807 1 711 . 1 . 1 70 70 ARG HG2 H 1 1.502 0.057 . . . . . . A 70 ARG HG2 . 30807 1 712 . 1 . 1 70 70 ARG HG3 H 1 1.502 0.057 . . . . . . A 70 ARG HG3 . 30807 1 713 . 1 . 1 70 70 ARG C C 13 175.958 0.000 . . . . . . A 70 ARG C . 30807 1 714 . 1 . 1 70 70 ARG CA C 13 56.659 0.103 . . . . . . A 70 ARG CA . 30807 1 715 . 1 . 1 70 70 ARG CB C 13 30.342 0.018 . . . . . . A 70 ARG CB . 30807 1 716 . 1 . 1 70 70 ARG CG C 13 26.623 0.016 . . . . . . A 70 ARG CG . 30807 1 717 . 1 . 1 70 70 ARG CD C 13 43.148 0.000 . . . . . . A 70 ARG CD . 30807 1 718 . 1 . 1 70 70 ARG N N 15 119.186 0.016 . . . . . . A 70 ARG N . 30807 1 719 . 1 . 1 71 71 THR H H 1 7.888 0.004 . . . . . . A 71 THR H . 30807 1 720 . 1 . 1 71 71 THR HA H 1 4.274 0.035 . . . . . . A 71 THR HA . 30807 1 721 . 1 . 1 71 71 THR HB H 1 4.178 0.004 . . . . . . A 71 THR HB . 30807 1 722 . 1 . 1 71 71 THR HG21 H 1 1.155 0.007 . . . . . . A 71 THR HG21 . 30807 1 723 . 1 . 1 71 71 THR HG22 H 1 1.155 0.007 . . . . . . A 71 THR HG22 . 30807 1 724 . 1 . 1 71 71 THR HG23 H 1 1.155 0.007 . . . . . . A 71 THR HG23 . 30807 1 725 . 1 . 1 71 71 THR C C 13 174.664 0.000 . . . . . . A 71 THR C . 30807 1 726 . 1 . 1 71 71 THR CA C 13 62.710 0.102 . . . . . . A 71 THR CA . 30807 1 727 . 1 . 1 71 71 THR CB C 13 69.789 0.106 . . . . . . A 71 THR CB . 30807 1 728 . 1 . 1 71 71 THR CG2 C 13 21.794 0.014 . . . . . . A 71 THR CG2 . 30807 1 729 . 1 . 1 71 71 THR N N 15 113.032 0.033 . . . . . . A 71 THR N . 30807 1 730 . 1 . 1 72 72 GLU H H 1 8.512 0.002 . . . . . . A 72 GLU H . 30807 1 731 . 1 . 1 72 72 GLU HA H 1 4.619 0.005 . . . . . . A 72 GLU HA . 30807 1 732 . 1 . 1 72 72 GLU HB2 H 1 1.976 0.008 . . . . . . A 72 GLU HB2 . 30807 1 733 . 1 . 1 72 72 GLU HB3 H 1 2.103 0.000 . . . . . . A 72 GLU HB3 . 30807 1 734 . 1 . 1 72 72 GLU HG2 H 1 2.198 0.004 . . . . . . A 72 GLU HG2 . 30807 1 735 . 1 . 1 72 72 GLU HG3 H 1 2.198 0.004 . . . . . . A 72 GLU HG3 . 30807 1 736 . 1 . 1 72 72 GLU C C 13 176.457 0.000 . . . . . . A 72 GLU C . 30807 1 737 . 1 . 1 72 72 GLU CA C 13 56.597 0.106 . . . . . . A 72 GLU CA . 30807 1 738 . 1 . 1 72 72 GLU CB C 13 30.681 0.018 . . . . . . A 72 GLU CB . 30807 1 739 . 1 . 1 72 72 GLU CG C 13 36.475 0.013 . . . . . . A 72 GLU CG . 30807 1 740 . 1 . 1 72 72 GLU N N 15 122.558 0.022 . . . . . . A 72 GLU N . 30807 1 741 . 1 . 1 73 73 THR H H 1 8.488 0.004 . . . . . . A 73 THR H . 30807 1 742 . 1 . 1 73 73 THR HA H 1 4.825 0.004 . . . . . . A 73 THR HA . 30807 1 743 . 1 . 1 73 73 THR HB H 1 4.390 0.010 . . . . . . A 73 THR HB . 30807 1 744 . 1 . 1 73 73 THR HG21 H 1 1.247 0.002 . . . . . . A 73 THR HG21 . 30807 1 745 . 1 . 1 73 73 THR HG22 H 1 1.247 0.002 . . . . . . A 73 THR HG22 . 30807 1 746 . 1 . 1 73 73 THR HG23 H 1 1.247 0.002 . . . . . . A 73 THR HG23 . 30807 1 747 . 1 . 1 73 73 THR C C 13 174.370 0.000 . . . . . . A 73 THR C . 30807 1 748 . 1 . 1 73 73 THR CA C 13 60.809 0.105 . . . . . . A 73 THR CA . 30807 1 749 . 1 . 1 73 73 THR CB C 13 70.391 0.114 . . . . . . A 73 THR CB . 30807 1 750 . 1 . 1 73 73 THR CG2 C 13 21.805 0.014 . . . . . . A 73 THR CG2 . 30807 1 751 . 1 . 1 73 73 THR N N 15 114.536 0.027 . . . . . . A 73 THR N . 30807 1 752 . 1 . 1 74 74 THR H H 1 7.993 0.004 . . . . . . A 74 THR H . 30807 1 753 . 1 . 1 74 74 THR HA H 1 4.053 0.012 . . . . . . A 74 THR HA . 30807 1 754 . 1 . 1 74 74 THR HB H 1 4.108 0.000 . . . . . . A 74 THR HB . 30807 1 755 . 1 . 1 74 74 THR HG21 H 1 0.977 0.014 . . . . . . A 74 THR HG21 . 30807 1 756 . 1 . 1 74 74 THR HG22 H 1 0.977 0.014 . . . . . . A 74 THR HG22 . 30807 1 757 . 1 . 1 74 74 THR HG23 H 1 0.977 0.014 . . . . . . A 74 THR HG23 . 30807 1 758 . 1 . 1 74 74 THR C C 13 174.284 0.000 . . . . . . A 74 THR C . 30807 1 759 . 1 . 1 74 74 THR CA C 13 62.248 0.122 . . . . . . A 74 THR CA . 30807 1 760 . 1 . 1 74 74 THR CB C 13 70.465 0.105 . . . . . . A 74 THR CB . 30807 1 761 . 1 . 1 74 74 THR CG2 C 13 23.025 0.000 . . . . . . A 74 THR CG2 . 30807 1 762 . 1 . 1 74 74 THR N N 15 114.106 0.020 . . . . . . A 74 THR N . 30807 1 763 . 1 . 1 75 75 VAL H H 1 7.691 0.004 . . . . . . A 75 VAL H . 30807 1 764 . 1 . 1 75 75 VAL HA H 1 4.107 0.010 . . . . . . A 75 VAL HA . 30807 1 765 . 1 . 1 75 75 VAL HB H 1 1.392 0.008 . . . . . . A 75 VAL HB . 30807 1 766 . 1 . 1 75 75 VAL HG11 H 1 0.716 0.014 . . . . . . A 75 VAL HG11 . 30807 1 767 . 1 . 1 75 75 VAL HG12 H 1 0.716 0.014 . . . . . . A 75 VAL HG12 . 30807 1 768 . 1 . 1 75 75 VAL HG13 H 1 0.716 0.014 . . . . . . A 75 VAL HG13 . 30807 1 769 . 1 . 1 75 75 VAL HG21 H 1 0.655 0.014 . . . . . . A 75 VAL HG21 . 30807 1 770 . 1 . 1 75 75 VAL HG22 H 1 0.655 0.014 . . . . . . A 75 VAL HG22 . 30807 1 771 . 1 . 1 75 75 VAL HG23 H 1 0.655 0.014 . . . . . . A 75 VAL HG23 . 30807 1 772 . 1 . 1 75 75 VAL C C 13 174.765 0.000 . . . . . . A 75 VAL C . 30807 1 773 . 1 . 1 75 75 VAL CA C 13 61.302 0.101 . . . . . . A 75 VAL CA . 30807 1 774 . 1 . 1 75 75 VAL CB C 13 33.567 0.015 . . . . . . A 75 VAL CB . 30807 1 775 . 1 . 1 75 75 VAL CG1 C 13 20.907 0.024 . . . . . . A 75 VAL CG1 . 30807 1 776 . 1 . 1 75 75 VAL N N 15 120.225 0.021 . . . . . . A 75 VAL N . 30807 1 777 . 1 . 1 76 76 GLY H H 1 8.455 0.002 . . . . . . A 76 GLY H . 30807 1 778 . 1 . 1 76 76 GLY HA2 H 1 3.468 0.002 . . . . . . A 76 GLY HA2 . 30807 1 779 . 1 . 1 76 76 GLY HA3 H 1 3.837 0.007 . . . . . . A 76 GLY HA3 . 30807 1 780 . 1 . 1 76 76 GLY C C 13 173.032 0.000 . . . . . . A 76 GLY C . 30807 1 781 . 1 . 1 76 76 GLY CA C 13 44.544 0.020 . . . . . . A 76 GLY CA . 30807 1 782 . 1 . 1 76 76 GLY N N 15 112.542 0.015 . . . . . . A 76 GLY N . 30807 1 783 . 1 . 1 77 77 TYR H H 1 8.783 0.003 . . . . . . A 77 TYR H . 30807 1 784 . 1 . 1 77 77 TYR HA H 1 5.185 0.008 . . . . . . A 77 TYR HA . 30807 1 785 . 1 . 1 77 77 TYR HB2 H 1 3.538 0.002 . . . . . . A 77 TYR HB2 . 30807 1 786 . 1 . 1 77 77 TYR HB3 H 1 2.266 0.002 . . . . . . A 77 TYR HB3 . 30807 1 787 . 1 . 1 77 77 TYR HD1 H 1 6.969 0.000 . . . . . . A 77 TYR HD1 . 30807 1 788 . 1 . 1 77 77 TYR HD2 H 1 6.969 0.000 . . . . . . A 77 TYR HD2 . 30807 1 789 . 1 . 1 77 77 TYR HE1 H 1 6.872 0.002 . . . . . . A 77 TYR HE1 . 30807 1 790 . 1 . 1 77 77 TYR HE2 H 1 6.872 0.002 . . . . . . A 77 TYR HE2 . 30807 1 791 . 1 . 1 77 77 TYR CA C 13 56.642 0.099 . . . . . . A 77 TYR CA . 30807 1 792 . 1 . 1 77 77 TYR CB C 13 38.923 0.013 . . . . . . A 77 TYR CB . 30807 1 793 . 1 . 1 77 77 TYR N N 15 120.889 0.015 . . . . . . A 77 TYR N . 30807 1 794 . 1 . 1 78 78 PRO HA H 1 5.091 0.008 . . . . . . A 78 PRO HA . 30807 1 795 . 1 . 1 78 78 PRO HB2 H 1 1.767 0.004 . . . . . . A 78 PRO HB2 . 30807 1 796 . 1 . 1 78 78 PRO HB3 H 1 2.056 0.005 . . . . . . A 78 PRO HB3 . 30807 1 797 . 1 . 1 78 78 PRO HG2 H 1 2.204 0.000 . . . . . . A 78 PRO HG2 . 30807 1 798 . 1 . 1 78 78 PRO HG3 H 1 2.118 0.000 . . . . . . A 78 PRO HG3 . 30807 1 799 . 1 . 1 78 78 PRO HD2 H 1 4.196 0.002 . . . . . . A 78 PRO HD2 . 30807 1 800 . 1 . 1 78 78 PRO HD3 H 1 3.938 0.001 . . . . . . A 78 PRO HD3 . 30807 1 801 . 1 . 1 78 78 PRO C C 13 174.972 0.000 . . . . . . A 78 PRO C . 30807 1 802 . 1 . 1 78 78 PRO CA C 13 63.744 0.099 . . . . . . A 78 PRO CA . 30807 1 803 . 1 . 1 78 78 PRO CB C 13 32.592 0.015 . . . . . . A 78 PRO CB . 30807 1 804 . 1 . 1 78 78 PRO CG C 13 28.146 0.006 . . . . . . A 78 PRO CG . 30807 1 805 . 1 . 1 78 78 PRO CD C 13 50.865 0.083 . . . . . . A 78 PRO CD . 30807 1 806 . 1 . 1 79 79 PHE H H 1 8.671 0.004 . . . . . . A 79 PHE H . 30807 1 807 . 1 . 1 79 79 PHE HA H 1 5.131 0.006 . . . . . . A 79 PHE HA . 30807 1 808 . 1 . 1 79 79 PHE HB2 H 1 3.122 0.009 . . . . . . A 79 PHE HB2 . 30807 1 809 . 1 . 1 79 79 PHE HB3 H 1 2.704 0.006 . . . . . . A 79 PHE HB3 . 30807 1 810 . 1 . 1 79 79 PHE HD1 H 1 6.973 0.007 . . . . . . A 79 PHE HD1 . 30807 1 811 . 1 . 1 79 79 PHE HD2 H 1 6.973 0.007 . . . . . . A 79 PHE HD2 . 30807 1 812 . 1 . 1 79 79 PHE C C 13 172.187 0.000 . . . . . . A 79 PHE C . 30807 1 813 . 1 . 1 79 79 PHE CA C 13 54.705 0.098 . . . . . . A 79 PHE CA . 30807 1 814 . 1 . 1 79 79 PHE CB C 13 42.773 0.019 . . . . . . A 79 PHE CB . 30807 1 815 . 1 . 1 79 79 PHE N N 15 116.076 0.023 . . . . . . A 79 PHE N . 30807 1 816 . 1 . 1 80 80 HIS H H 1 8.842 0.010 . . . . . . A 80 HIS H . 30807 1 817 . 1 . 1 80 80 HIS HA H 1 5.261 0.007 . . . . . . A 80 HIS HA . 30807 1 818 . 1 . 1 80 80 HIS HB2 H 1 3.244 0.004 . . . . . . A 80 HIS HB2 . 30807 1 819 . 1 . 1 80 80 HIS HB3 H 1 3.034 0.004 . . . . . . A 80 HIS HB3 . 30807 1 820 . 1 . 1 80 80 HIS HD1 H 1 6.858 0.004 . . . . . . A 80 HIS HD1 . 30807 1 821 . 1 . 1 80 80 HIS C C 13 174.048 0.000 . . . . . . A 80 HIS C . 30807 1 822 . 1 . 1 80 80 HIS CA C 13 57.180 0.115 . . . . . . A 80 HIS CA . 30807 1 823 . 1 . 1 80 80 HIS CB C 13 35.071 0.028 . . . . . . A 80 HIS CB . 30807 1 824 . 1 . 1 80 80 HIS N N 15 122.407 0.013 . . . . . . A 80 HIS N . 30807 1 825 . 1 . 1 81 81 VAL H H 1 8.297 0.005 . . . . . . A 81 VAL H . 30807 1 826 . 1 . 1 81 81 VAL HA H 1 4.533 0.003 . . . . . . A 81 VAL HA . 30807 1 827 . 1 . 1 81 81 VAL HB H 1 1.924 0.006 . . . . . . A 81 VAL HB . 30807 1 828 . 1 . 1 81 81 VAL HG11 H 1 0.725 0.006 . . . . . . A 81 VAL HG11 . 30807 1 829 . 1 . 1 81 81 VAL HG12 H 1 0.725 0.006 . . . . . . A 81 VAL HG12 . 30807 1 830 . 1 . 1 81 81 VAL HG13 H 1 0.725 0.006 . . . . . . A 81 VAL HG13 . 30807 1 831 . 1 . 1 81 81 VAL HG21 H 1 0.557 0.005 . . . . . . A 81 VAL HG21 . 30807 1 832 . 1 . 1 81 81 VAL HG22 H 1 0.557 0.005 . . . . . . A 81 VAL HG22 . 30807 1 833 . 1 . 1 81 81 VAL HG23 H 1 0.557 0.005 . . . . . . A 81 VAL HG23 . 30807 1 834 . 1 . 1 81 81 VAL C C 13 173.640 0.000 . . . . . . A 81 VAL C . 30807 1 835 . 1 . 1 81 81 VAL CA C 13 61.416 0.089 . . . . . . A 81 VAL CA . 30807 1 836 . 1 . 1 81 81 VAL CB C 13 34.219 0.010 . . . . . . A 81 VAL CB . 30807 1 837 . 1 . 1 81 81 VAL CG1 C 13 21.946 0.014 . . . . . . A 81 VAL CG1 . 30807 1 838 . 1 . 1 81 81 VAL N N 15 125.665 0.021 . . . . . . A 81 VAL N . 30807 1 839 . 1 . 1 82 82 MET H H 1 8.416 0.005 . . . . . . A 82 MET H . 30807 1 840 . 1 . 1 82 82 MET HA H 1 4.896 0.005 . . . . . . A 82 MET HA . 30807 1 841 . 1 . 1 82 82 MET HB2 H 1 2.152 0.015 . . . . . . A 82 MET HB2 . 30807 1 842 . 1 . 1 82 82 MET HB3 H 1 2.127 0.008 . . . . . . A 82 MET HB3 . 30807 1 843 . 1 . 1 82 82 MET HG2 H 1 2.692 0.006 . . . . . . A 82 MET HG2 . 30807 1 844 . 1 . 1 82 82 MET HG3 H 1 2.387 0.002 . . . . . . A 82 MET HG3 . 30807 1 845 . 1 . 1 82 82 MET HE1 H 1 2.383 0.003 . . . . . . A 82 MET HE1 . 30807 1 846 . 1 . 1 82 82 MET HE2 H 1 2.383 0.003 . . . . . . A 82 MET HE2 . 30807 1 847 . 1 . 1 82 82 MET HE3 H 1 2.383 0.003 . . . . . . A 82 MET HE3 . 30807 1 848 . 1 . 1 82 82 MET C C 13 174.199 0.000 . . . . . . A 82 MET C . 30807 1 849 . 1 . 1 82 82 MET CA C 13 54.173 0.091 . . . . . . A 82 MET CA . 30807 1 850 . 1 . 1 82 82 MET CB C 13 37.478 0.012 . . . . . . A 82 MET CB . 30807 1 851 . 1 . 1 82 82 MET CG C 13 30.732 0.018 . . . . . . A 82 MET CG . 30807 1 852 . 1 . 1 82 82 MET N N 15 122.064 0.025 . . . . . . A 82 MET N . 30807 1 853 . 1 . 1 83 83 GLU H H 1 9.388 0.002 . . . . . . A 83 GLU H . 30807 1 854 . 1 . 1 83 83 GLU HA H 1 3.818 0.010 . . . . . . A 83 GLU HA . 30807 1 855 . 1 . 1 83 83 GLU HB2 H 1 1.943 0.003 . . . . . . A 83 GLU HB2 . 30807 1 856 . 1 . 1 83 83 GLU HB3 H 1 1.943 0.003 . . . . . . A 83 GLU HB3 . 30807 1 857 . 1 . 1 83 83 GLU HG2 H 1 1.945 0.001 . . . . . . A 83 GLU HG2 . 30807 1 858 . 1 . 1 83 83 GLU HG3 H 1 1.665 0.004 . . . . . . A 83 GLU HG3 . 30807 1 859 . 1 . 1 83 83 GLU C C 13 175.559 0.000 . . . . . . A 83 GLU C . 30807 1 860 . 1 . 1 83 83 GLU CA C 13 57.571 0.114 . . . . . . A 83 GLU CA . 30807 1 861 . 1 . 1 83 83 GLU CB C 13 30.660 0.000 . . . . . . A 83 GLU CB . 30807 1 862 . 1 . 1 83 83 GLU CG C 13 36.443 0.017 . . . . . . A 83 GLU CG . 30807 1 863 . 1 . 1 83 83 GLU N N 15 127.170 0.022 . . . . . . A 83 GLU N . 30807 1 864 . 1 . 1 84 84 LEU H H 1 8.498 0.003 . . . . . . A 84 LEU H . 30807 1 865 . 1 . 1 84 84 LEU HA H 1 4.361 0.006 . . . . . . A 84 LEU HA . 30807 1 866 . 1 . 1 84 84 LEU HB2 H 1 1.404 0.006 . . . . . . A 84 LEU HB2 . 30807 1 867 . 1 . 1 84 84 LEU HB3 H 1 1.275 0.005 . . . . . . A 84 LEU HB3 . 30807 1 868 . 1 . 1 84 84 LEU HG H 1 1.430 0.000 . . . . . . A 84 LEU HG . 30807 1 869 . 1 . 1 84 84 LEU HD11 H 1 0.776 0.008 . . . . . . A 84 LEU HD11 . 30807 1 870 . 1 . 1 84 84 LEU HD12 H 1 0.776 0.008 . . . . . . A 84 LEU HD12 . 30807 1 871 . 1 . 1 84 84 LEU HD13 H 1 0.776 0.008 . . . . . . A 84 LEU HD13 . 30807 1 872 . 1 . 1 84 84 LEU CA C 13 54.814 0.086 . . . . . . A 84 LEU CA . 30807 1 873 . 1 . 1 84 84 LEU CB C 13 42.722 0.024 . . . . . . A 84 LEU CB . 30807 1 874 . 1 . 1 84 84 LEU CG C 13 26.693 0.007 . . . . . . A 84 LEU CG . 30807 1 875 . 1 . 1 84 84 LEU CD1 C 13 24.888 0.015 . . . . . . A 84 LEU CD1 . 30807 1 876 . 1 . 1 84 84 LEU N N 15 127.853 0.017 . . . . . . A 84 LEU N . 30807 1 877 . 1 . 1 85 85 GLU H H 1 8.380 0.002 . . . . . . A 85 GLU H . 30807 1 878 . 1 . 1 85 85 GLU HA H 1 4.197 0.008 . . . . . . A 85 GLU HA . 30807 1 879 . 1 . 1 85 85 GLU HB2 H 1 2.169 0.000 . . . . . . A 85 GLU HB2 . 30807 1 880 . 1 . 1 85 85 GLU HB3 H 1 2.085 0.000 . . . . . . A 85 GLU HB3 . 30807 1 881 . 1 . 1 85 85 GLU HG2 H 1 2.170 0.000 . . . . . . A 85 GLU HG2 . 30807 1 882 . 1 . 1 85 85 GLU HG3 H 1 2.089 0.000 . . . . . . A 85 GLU HG3 . 30807 1 883 . 1 . 1 85 85 GLU C C 13 175.858 0.000 . . . . . . A 85 GLU C . 30807 1 884 . 1 . 1 85 85 GLU CA C 13 56.448 0.000 . . . . . . A 85 GLU CA . 30807 1 885 . 1 . 1 85 85 GLU CB C 13 30.843 0.000 . . . . . . A 85 GLU CB . 30807 1 886 . 1 . 1 85 85 GLU CG C 13 36.294 0.022 . . . . . . A 85 GLU CG . 30807 1 887 . 1 . 1 85 85 GLU N N 15 122.511 0.013 . . . . . . A 85 GLU N . 30807 1 888 . 1 . 1 86 86 HIS H H 1 8.446 0.001 . . . . . . A 86 HIS H . 30807 1 889 . 1 . 1 86 86 HIS HA H 1 4.666 0.091 . . . . . . A 86 HIS HA . 30807 1 890 . 1 . 1 86 86 HIS HB2 H 1 3.057 0.000 . . . . . . A 86 HIS HB2 . 30807 1 891 . 1 . 1 86 86 HIS HB3 H 1 3.057 0.000 . . . . . . A 86 HIS HB3 . 30807 1 892 . 1 . 1 86 86 HIS C C 13 174.032 0.000 . . . . . . A 86 HIS C . 30807 1 893 . 1 . 1 86 86 HIS CA C 13 56.036 0.000 . . . . . . A 86 HIS CA . 30807 1 894 . 1 . 1 86 86 HIS CB C 13 30.338 0.000 . . . . . . A 86 HIS CB . 30807 1 895 . 1 . 1 86 86 HIS N N 15 120.713 0.037 . . . . . . A 86 HIS N . 30807 1 896 . 1 . 1 87 87 HIS H H 1 8.040 0.013 . . . . . . A 87 HIS H . 30807 1 897 . 1 . 1 87 87 HIS N N 15 125.520 0.019 . . . . . . A 87 HIS N . 30807 1 stop_ save_